cocoa__abstract[chemical_gen].csv

PMID,abstract,paper,mesh_terms,qual_terms,is_useful,food,chem_ent_ratio,chemicals,bigram_score,chem_term_count
10917927,"Procyanidins are a subclass of flavonoids found in commonly consumed foods that have attracted increasing attention due to their potential health benefits. However, little is known regarding their dietary intake levels because detailed quantitative information on the procyanidin profiles present in many food products is lacking. Therefore, the procyanidin content of red wine, chocolate, cranberry juice and four varieties of apples has been determined. On average, chocolate and apples contained the largest procyanidin content per serving (164.7 and 147.1 mg, respectively) compared with red wine and cranberry juice (22.0 and 31.9 mg, respectively). However, the procyanidin content varied greatly between apple samples (12.3-252.4 mg/serving) with the highest amounts on average observed for the Red Delicious (207.7 mg/serving) and Granny Smith (183.3 mg/serving) varieties and the lowest amounts in the Golden Delicious (92.5 mg/serving) and McIntosh (105.0 mg/serving) varieties. The compositional data reported herein are important for the initial understanding of which foods contribute most to the dietary intake of procyanidins and may be used to compile a database necessary to infer epidemiological relationships to health and disease.",Procyanidin content and variation in some commonly consumed foods.,"['Biflavonoids', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Diet', 'Food Analysis', 'Fruit', 'Proanthocyanidins', 'Wine']","[None, 'chemistry', 'administration & dosage', 'methods', None, None, 'chemistry', None, 'analysis']",0.0,cocoa,0.14893617021276595,"['flavonoids', 'procyanidin', 'Procyanidins', 'procyanidins']",1,7
26759032,"Children are vulnerable to heavy metal contamination through consumption of candies and chocolates. Considering this representative samples (69) of candies and chocolates based on cocoa, milk and sugar were analyzed for selected heavy metals by means of flame atomic absorption spectrometry. The average concentration of Zn, Pb, Ni, and Cd was found to be 2.52 _± 2.49, 2.0 _± 1.20, 0.84 _± 1.35, and 0.17 _± 0.22 __g/g respectively. Results indicate that cocoa-based candies have higher metal content than milk- or sugar-based candies. The daily dietary intake of metals for children eating candies and chocolates was also calculated, and results indicated highest intake of Pb and Zn followed by Ni, Cd, and Cu. Comparison of the current study results with other studies around the globe shows that the heavy metal content in candies and chocolates is lower in India than reported elsewhere. However, to reduce the further dietary exposure of heavy metals through candies and chocolates, their content should be monitored regularly and particularly for Pb as children are highly susceptible to its toxicity.",Heavy metal content in various types of candies and their daily dietary intake by children.,"['Candy', 'Child', 'Diet', 'Environmental Exposure', 'Environmental Monitoring', 'Food Contamination', 'Humans', 'India', 'Metals, Heavy', 'Spectrophotometry, Atomic']","['analysis', None, 'statistics & numerical data', 'analysis', 'methods', 'analysis', None, None, 'analysis', None]",1.0,cocoa,0.16129032258064516,"['Cu', 'Cd', 'Ni', 'chocolates', 'Zn', 'Pb']",1,10
11513631,"At present, the commonly used HPLC method for the analysis of caffeine and theobromine contents in aqueous cocoa extracts employs direct application of the extracts on the column. This practice gradually reduces the efficiency of the column and shortens its life. Also, this method gives inflated values due to interfering substances and difficulty in achieving baseline resolution. In the improved method, the interfering cocoa pigments are effectively removed by passing the aqueous extract through a Sep-pak C(18) cartridge. Subsequent injection on a C(18) reverse-phase column employing acetonitrile and water (20:80) as the mobile phase reduces the analysis time without affecting either resolution of the peak or the accuracy of caffeine and theobromine determination or achieving baseline resolution. Therefore, this method is ideally suited for rapid routine analysis of cocoa and its products.",Improved high-performance liquid chromatography method to determine theobromine and caffeine in cocoa and cocoa products.,"['Cacao', 'Caffeine', 'Chromatography, High Pressure Liquid', 'Sensitivity and Specificity', 'Theobromine', 'Time Factors']","['chemistry', 'analysis', 'methods', None, 'analysis', None]",2.0,cocoa,0.20408163265306123,"['C(18', 'aqueous extract', 'theobromine', 'acetonitrile', 'caffeine', 'cocoa pigments', 'aqueous cocoa']",1,10
22394229,"This study has examined the occurrence of aflatoxins in 168 samples of different fractions obtained during the processing of cocoa in manufacturing plants (shell, nibs, mass, butter, cake and powder) using an optimised methodology for cocoa by-products. The method validation was based on selectivity, linearity, limit of detection and recovery. The method was shown to be adequate for use in quantifying the contamination of cocoa by aflatoxins B(1), B(2), G(1) and G(2). Furthermore, the method was easier to use than other methods available in the literature. For aflatoxin extraction from cocoa samples, a methanol-water solution was used, and then immunoaffinity columns were employed for clean-up before the determination by high-performance liquid chromatography. A survey demonstrated a widespread occurrence of aflatoxins in cocoa by-products, although in general the levels of aflatoxins present in the fractions from industrial processing of cocoa were low. A maximum aflatoxin contamination of 13.3 ng g(-1) was found in a nib sample. The lowest contamination levels were found in cocoa butter. Continued monitoring of aflatoxins in cocoa by-products is nevertheless necessary because these toxins have a high toxicity to humans and cocoa is widely consumed by children through cocoa-containing products, like candies.",Determination of aflatoxins in by-products of industrial processing of cocoa beans.,"['Aflatoxins', 'Cacao', 'Chromatography, Affinity', 'Chromatography, High Pressure Liquid', 'Limit of Detection']","['analysis', 'chemistry', 'methods', 'methods', None]",1.0,cocoa,0.12,"['aflatoxins B(1', 'cocoa butter', 'aflatoxins', 'cocoa', 'aflatoxin']",1,9
10868592,"A method was developed for determining fructan inulin in various foods (yogurts, honey cakes, chocolates). Warm water was applied for extraction of samples, and mono- and dissacharides were determined by a thin-layer chromatographic densitometric method. A portion of the test solution was hydrolyzed 30 min with 1% oxalic acid in a boiling water bath. Fructose was determined in the hydrolysate. The amount of inulin in a sample was calculated as the difference between the amount of fructose in the sample before and after hydrolysis. The fructose from sucrose formed during the hydrolysis was also considered. The mean recovery from yogurt fortified with 4% inulin was 95.5 +/- 4.5% (mean +/- standard deviation); from honey cakes extract fortified with 10% inulin, 97.3 +/- 5.5%; and from chocolate extract fortified with 30% inulin, 98.6 +/- 6.6% (6 replicates in all cases). Determination of glucose is not necessary for analyzing fructans with the composition expressed shortened to GFn-1 (G, glucose; F, fructosyl) with the average degree of polymerization 8 < or = n < or = 15.",Determination of inulin in foods.,"['Animals', 'Cacao', 'Chromatography, Thin Layer', 'Food Analysis', 'Fructose', 'Honey', 'Hot Temperature', 'Hydrolysis', 'Inulin', 'Milk', 'Yogurt']","[None, 'chemistry', None, 'methods', 'analysis', None, None, None, 'analysis', 'chemistry', 'analysis']",,cocoa,0.27450980392156865,"['fructose', 'Fructose', 'sucrose', 'inulin', 'fructan inulin', 'glucose', 'dissacharides', 'honey cakes extract fortified', 'oxalic acid']",1,14
23017398,"This work reports an investigation carried out to assess the natural occurrence of ochratoxin A in 168 samples from different fractions obtained during the technological processing of cocoa (shell, nibs, liquor, butter, cake and cocoa powder) and the reduction of ochratoxin A during chocolate manufacture. Ochratoxin A analyses were performed with immunoaffinity columns and detection by high performance liquid chromatography. Concerning the natural ochratoxin A contamination in cocoa by-products, the highest levels of ochratoxin A were found in the shell, cocoa powder and cocoa cake. The cocoa butter was the least contaminated, showing that ochratoxin A seems to remain in the defatted cocoa solids. Under the technological conditions applied during the manufacture of chocolate in this study and the level of contamination present in the cocoa beans, this experiment demonstrated that 93.6% of ochratoxin A present in the beans was reduced during the chocolate producing.",Occurrence of ochratoxin A in cocoa by-products and determination of its reduction during chocolate manufacture.,"['Cacao', 'Chromatography, High Pressure Liquid', 'Cocos', 'Food Contamination', 'Food Handling', 'Ochratoxins']","['chemistry', None, 'chemistry', 'analysis', None, 'analysis']",1.0,cocoa,0.20408163265306123,"['ochratoxin A', 'cocoa butter', 'cocoa', 'defatted cocoa solids', 'Ochratoxin A']",1,10
15891868,"Chocolate is a complex sample with a high content of organic compounds and its analysis generally involves digestion procedures that might include the risk of losses and/or contamination. The determination of copper in chocolate is important because copper compounds are extensively used as fungicides in the farming of cocoa. In this paper, a slurry-sampling flame atomic-absorption spectrometric method is proposed for determination of copper in powdered chocolate samples. Optimization was carried out using univariate methodology involving the variables nature and concentration of the acid solution for slurry preparation, sonication time, and sample mass. The recommended conditions include a sample mass of 0.2 g, 2.0 mol L(-1) hydrochloric acid solution, and a sonication time of 15 min. The calibration curve was prepared using aqueous copper standards in 2.0 mol L(-1) hydrochloric acid. This method allowed determination of copper in chocolate with a detection limit of 0.4 microg g(-1) and precision, expressed as relative standard deviation (RSD), of 2.5% (n = 10) for a copper content of approximately 30 microg g(-1), using a chocolate mass of 0.2 g. The accuracy was confirmed by analyzing the certified reference materials NIST SRM 1568a rice flour and NIES CRM 10-b rice flour. The proposed method was used for determination of copper in three powdered chocolate samples, the copper content of which varied between 26.6 and 31.5 microg g(-1). The results showed no significant differences with those obtained after complete digestion, using a t-test for comparison.",Determination of copper in powdered chocolate samples by slurry-sampling flame atomic-absorption spectrometry.,"['Cacao', 'Copper', 'Powders', 'Sensitivity and Specificity', 'Spectrophotometry, Atomic']","['chemistry', 'analysis', 'chemistry', None, 'instrumentation']",0.0,cocoa,0.15492957746478872,"['hydrochloric acid', 'fungicides', 'copper', 'aqueous copper']",1,11
23828209,"Ultrathin-layer chromatography (UTLC) potentially offers faster analysis, reduced solvent and sample volumes, and lower costs. One novel technique for producing UTLC plates has been glancing angle deposition (GLAD), a physical vapor deposition technique capable of aligning macropores to produce interesting separation properties. To date, however, GLAD-UTLC plates have been restricted to model dye systems, rather than realistic analytes. This study demonstrates the transfer of high-performance thin-layer chromatography (HPTLC) sugar analysis methods to GLAD-UTLC plates using the office chromatography framework. A consumer inkjet printer was used to apply very sharp low volume (3-30__nL) bands of water-soluble analytes (lactose, sucrose, and fructose). Analytic performance measurements extrapolated the limits of detection to be 3-5__ng/zone, which was experimentally proven down to 60-70__ng/band, depending on the sugar. This qualitative analysis of sugars in a commercially available chocolate sample is the first reported application of GLAD-UTLC to food samples. The potential utility of GLAD-UTLC is further exemplified by successful coupling with electrospray ionization mass spectrometry for the first time to characterize underivatized sugars. ","Inkjet application, chromatography, and mass spectrometry of sugars on nanostructured thin films.","['Cacao', 'Chromatography, Thin Layer', 'Food Analysis', 'Fructose', 'Ink', 'Lactose', 'Limit of Detection', 'Printing', 'Spectrometry, Mass, Electrospray Ionization', 'Sucrose']","['chemistry', 'methods', None, 'analysis', None, 'analysis', None, None, None, 'analysis']",0.0,cocoa,0.10909090909090909,"['fructose', 'sucrose', 'sugars', '3-5__ng/zone', '3-30__nL', 'lactose']",1,6
21140662,"A fast and simple chromatographic method to determine biotin in foods is presented. Biotin is extracted using papain (60 degrees C, 1 h). After pH adjustment and filtration, biotin is determined by LC with fluorescence detection using postcolumn reagent avidin-FITC (avidin labeled with fluorescein isothiocyanate). The method has been validated in a large range of products: milk- and soy-based infant formulas, cereals, cocoa-malt beverages, and clinical nutrition products. The method showed recovery rates of 98.1 +/- 5.7% (average +/- SD) in a large range of concentrations. Biotin concentrations determined in infant formula standard reference materials 1846 and 1849 were in agreement with reference values. RSD of repeatability (RSDr) varied from 2.0 to 4.5%, and intermediate reproducibility (RSD(iR)) from 5.8 to 9.4%. LOD and LOQ were 3.0 and 5.0 microg/100 g, respectively. The proposed method is suitable for routine analysis of biotin in fortified foods (infant formulas, infant cereals, cocoa-malt beverages, and clinical nutrition products). It can be used as a faster, more selective, and precise alternative to the classical microbiological determination, and is easily transferable among laboratories.","Optimization and validation of an LC-fLD method for biotin in infant formula, infant cereals, cocoa-malt beverages, and clinical nutrition products.","['Beverages', 'Biotin', 'Cacao', 'Chromatography, High Pressure Liquid', 'Edible Grain', 'Fluorescence', 'Humans', 'Infant', 'Infant Formula', 'Reproducibility of Results']","['analysis', 'analysis', 'chemistry', 'methods', 'chemistry', None, None, None, 'chemistry', None]",,cocoa,0.1320754716981132,"['biotin', 'fortified', 'postcolumn', 'Biotin', 'fluorescein isothiocyanate']",1,7
16001548,"A method using normal phase high performance liquid chromatography (NP-HPLC) with UV detection was developed for the analysis of acrylamide and methacrylamide. The method relies on the chromatographic separation of these analytes on a polar HPLC column designed for the separation of organic acids. Identification of acrylamide and methacrylamide is approached dually, that is directly in their protonated forms and as their hydrolysis products acrylic and methacrylic acid respectively, for confirmation. Detection and quantification is performed at 200 nm. The method is simple allowing for clear resolution of the target peaks from any interfering substances. Detection limits of 10 microg L(-1) were obtained for both analytes with the inter- and intra-day RSD for standard analysis lying below 1.0%. Use of acetonitrile in the elution solvent lowers detection limits and retention times, without impairing resolution of peaks. The method was applied for the determination of acrylamide and methacrylamide in spiked food samples without native acrylamide yielding recoveries between 95 and 103%. Finally, commercial samples of french and roasted fries, cookies, cocoa and coffee were analyzed to assess applicability of the method towards acrylamide, giving results similar with those reported in the literature.",Determination of acrylamide and methacrylamide by normal phase high performance liquid chromatography and UV detection.,"['Acrylamide', 'Acrylamides', 'Chromatography, High Pressure Liquid', 'Spectrophotometry, Ultraviolet']","['analysis', 'analysis', 'methods', None]",1.0,cocoa,0.13432835820895522,"['methacrylic acid', 'acrylamide', 'methacrylamide', 'acetonitrile']",1,9
11087482,"An HPLC method, using detection after postcolumn derivatization with p-dimethylaminocynnamaldehyde (DMACA), was developed for the quantitative analysis of individual flavanols in food. This method was applied to flavanol determination in 56 different kinds of Spanish food products, including fruit, vegetables, legumes, beverages (cider, coffee, beer, tea, and wine), and chocolate. The determined compounds corresponded to the catechins and proanthocyanidin dimers and trimers usually present in food and, therefore, they were representative of the flavanols of low degree of polymerization consumed with the diet. The data generated could be used for calculation of the dietary intake of either individual or total flavanols, which would allow the further establishment of epidemiological correlations with the incidence of chronic diseases. Similar flavanol profiles were found in the different samples of a similar type of product, even though important variations could exist in the concentrations of total and individual flavanols among them. This was attributed to factors such as sample origin, stage of ripeness, post-harvesting conservation, and processing. Total flavanol contents varied from nondetectable in most of the vegetables to 184 mg/100 g found in a sample of broad bean. Substantial amounts were also found in some fruits, such as plum and apple, as well as in tea and red wine. Epicatechin was the most abundant flavanol, followed by catechin and procyanidin B2. In general, catechins were found in all the flavanol-containing products, but the presence of gallocatechins was only relevant in pomegranate, broad bean, lentil, grape, wine, beer, and tea, and most of the berries. Galloyled flavanols were only detected in strawberry, medlar, grape, and tea.",Quantitative analysis of flavan-3-ols in Spanish foodstuffs and beverages.,"['Beverages', 'Biflavonoids', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Fabaceae', 'Flavonoids', 'Food Analysis', 'Fruit', 'Indicators and Reagents', 'Plants, Medicinal', 'Proanthocyanidins', 'Spain']","['analysis', None, 'chemistry', None, 'methods', 'chemistry', 'analysis', None, 'chemistry', None, None, None, None]",1.0,cocoa,0.20224719101123595,"['flavanol', 'postcolumn derivatization', 'proanthocyanidin', 'catechins', 'DMACA', 'gallocatechins', 'Epicatechin', 'flavanols', 'procyanidin', 'catechin', 'plum and apple']",1,18
11552746,"Samples of chocolate, cocoa, tea infusions, soft drinks and fruit juice have been examined by, electrothermal atomic absorption spectrometry (ETA-AAS) for the presence of aluminium (Al). Fruit juices and chocolate were analysed after an adequate sample preparation; the other products were evaluated directly. Sampling was performed in duplicate for 248 independent samples. The mean Al concentration in chocolate was 9.2 +/- 7.5 mg kg(-1), and individual values were correlated with the per cent of cocoa in samples (Y = 0.63 + 0.27X, r = 0.78, p < 0.0001). Al concentration in commercial tea infusions ranged from 0.9 to 3.3 mg l(-1) (mean = 1.80 +/- 65 mg l(-1), whereas in laboratory-prepared samples it was 2.7 +/- 0.93 mg l(-1). In soft drinks, the concentrations of Al were lower, ranging from 9.1 to 179 microg l(-1); the highest values were observed in samples of orange squash (mean = 114 +/- 56 microg l(-1)). Apricot juice showed the highest Al level (mean = 602 +/- 190 microg l(-1)), being statistically, different from that of pear (mean = 259 +/- 102 microg l(-1)), but not different from that of peach juice (mean = 486 +/- 269 microg kg(-1)). Toxicologically, the amount of Al deriving from the consumption of these products is far below the acceptable daily intake of 1 mg kg(-1) body weight indicated by the FAO/WHO, and it is a verv low percentage of the normal Al dietary intake.",Evaluation of aluminium concentrations in samples of chocolate and beverages by electrothermal atomic absorption spectrometry.,"['Aluminum', 'Beverages', 'Cacao', 'Carbonated Beverages', 'Citrus', 'Food Contamination', 'Humans', 'Spectrophotometry, Atomic', 'Tea']","['analysis', 'analysis', 'chemistry', 'analysis', 'chemistry', None, None, None, 'chemistry']",,cocoa,0.09523809523809523,"['cocoa', 'Al', 'Toxicologically', 'aluminium']",1,6
25174984,"Phenol-specific extracts of 12 Belgian special beers were analyzed by gas chromatography hyphenated to olfactometry (AEDA procedure) and mass spectrometry (single ion monitoring mode). As guaiacol and 4-methylphenol were revealed to be more concentrated in brown beers (>3.5 and >1.1 __g/L, respectively), they are proposed as specific markers of the utilization of dark malts. Analysis of five differently colored malts (5, 50, 500, 900, and 1500 _EBC) allowed confirmation of high levels of guaiacol (>180 __g/L; values given in wort, for 100% specialty malt) and 4-methylphenol (>7 __g/L) for chocolate and black malts only (versus respectively <3 __g/L and undetected in all other worts). Monitoring of beer aging highlighted major differences between phenols. Guaiacol and 4-methylphenol appeared even more concentrated in dark beers after 14 months of aging, reaching levels not far from their sensory thresholds. 4-Vinylphenols and 4-ethylphenols, on the contrary, proved to be gradually degraded in POF(+)-yeast-derived beers. Vanillin exhibited an interesting pattern: in beers initially containing <25 __g/L, the vanillin concentration increased over a 14 month aging period to levels exceeding its sensory threshold (up to 160 __g/L). Beers initially showing an above-threshold level of vanillin displayed a decrease during aging. ",Guaiacol and 4-methylphenol as specific markers of torrefied malts. Fate of volatile phenols in special beers through aging.,"['Beer', 'Biomarkers', 'Cresols', 'Edible Grain', 'Fermentation', 'Food Handling', 'Gas Chromatography-Mass Spectrometry', 'Guaiacol', 'Phenols', 'Volatilization']","['analysis', 'chemistry', 'chemistry', 'chemistry', None, None, None, 'chemistry', 'chemistry', None]",0.0,cocoa,0.21875,"['guaiacol', '__g/L', 'Guaiacol', 'phenols', '4-methylphenol', 'AEDA', 'vanillin', 'Vanillin']",1,14
11312867,"The detection threshold of acetaldehyde was determined on whole, lowfat, and nonfat milks, chocolate-flavored milk, and spring water. Knowledge of the acetaldehyde threshold is important because acetaldehyde forms in milk during storage as a result of light oxidation. It is also a degradation product of poly(ethylene terephthalate) during melt processing, a relatively new packaging choice for milk and water. There was no significant difference in the acetaldehyde threshold in milk of various fat contents, with thresholds ranging from 3939 to 4040 ppb. Chocolate-flavored milk and spring water showed thresholds of 10048 and 167 ppb, respectively, which compares favorably with previous studies. Solid phase microextraction (SPME) was verified as an effective method for the recovery of acetaldehyde in all media with detection levels as low as 200 and 20 ppb in milk and water, respectively, when using a polydimethyl siloxane/Carboxen SPME fiber in static headspace at 45 degrees C for 15 min.","Flavor threshold for acetaldehyde in milk, chocolate milk, and spring water using solid phase microextraction gas chromatography for quantification.","['Acetaldehyde', 'Animals', 'Cholates', 'Chromatography, Gas', 'Food Preservation', 'Humans', 'Light', 'Milk', 'Oxidation-Reduction', 'Taste Threshold', 'Water']","['analysis', None, 'chemistry', 'methods', None, None, None, 'chemistry', None, None, 'analysis']",0.0,cocoa,0.12244897959183673,"['acetaldehyde', 'poly(ethylene']",1,6
11871386,"This work relates the development of an analytical methodology to simultaneously determine three methylxanthines (caffeine, theobromine, and theophylline) in beverages and urine samples based on reversed-phase high-performance liquid chromatography. Separation is made with a Bondesil C18 column using methanol-water-acetic acid or ethanol-water-acetic acid (20:75:5, v/v/v) as the mobile phase at 0.7 mL/min. Identification is made by absorbance detection at 273 nm. Under optimized conditions, the detection limit of the HPLC method is 0.1 pg/mL for all three methylxanthines. This method is applied to urine and to 25 different beverage samples, which included coffee, tea, chocolate, and coconut water. The concentration ranges determined in the beverages and urine are: < 0.1 pg/mL to 350 microg/mL and 3.21 microg/mL to 71.2 microg/mL for caffeine; < 0.1 pg/mL to 32 microg mL and < 0.1 pg/mL to 13.2 microg/mL for theobromine; < 0.1 pg/mL to 47 microg/mL and < 0.1 pg/mL to 66.3 microg/mL for theophylline. The method proposed in this study is rapid and suitable for the simultaneous quantitation of methylxanthines in beverages and human urine samples and requires no extraction step or derivatization.","Simultaneous determination of caffeine, theobromine, and theophylline by high-performance liquid chromatography.","['Beverages', 'Caffeine', 'Calibration', 'Chromatography, High Pressure Liquid', 'Sensitivity and Specificity', 'Spectrophotometry, Ultraviolet', 'Theobromine', 'Theophylline']","['analysis', 'analysis', None, 'methods', None, None, 'analysis', 'analysis']",,cocoa,0.1956521739130435,"['theobromine', 'theophylline', 'caffeine', 'methylxanthines']",1,9
19754154,"Cocoa-phytochemicals have been related to the health-benefits of cocoa consumption. Metabolomics has been proposed as a powerful tool to characterize both the intake and the effects on the metabolism of dietary components. Human urine metabolome modifications after single cocoa intake were explored in a randomized, crossed, and controlled trial. After overnight fasting, 10 subjects consumed randomly either a single dose of cocoa powder with milk or water, or milk without cocoa. Urine samples were collected before the ingestion and at 0-6, 6-12, and 12-24-h after test-meals consumption. Samples were analyzed by HPLC-q-ToF, followed by multivariate data analysis. Results revealed an important effect on urinary metabolome during the 24 h after cocoa powder intake. These changes were not influenced by matrix as no global differences were found between cocoa powder consumption with milk or with water. Overall, 27 metabolites related to cocoa-phytochemicals, including alkaloid derivatives, polyphenol metabolites (both host and microbial metabolites) and processing-derived products such as diketopiperazines, were identified as the main contributors to the urinary modifications after cocoa powder intake. These results confirm that metabolomics will contribute to better characterization of the urinary metabolome in order to further explore the metabolism of phytochemicals and its relation with human health.",An LC-MS-based metabolomics approach for exploring urinary metabolome modifications after cocoa consumption.,"['Adolescent', 'Adult', 'Animals', 'Biomarkers', 'Cacao', 'Chromatography, Liquid', 'Diet', 'Female', 'Flavonoids', 'Humans', 'Male', 'Mass Spectrometry', 'Metabolomics', 'Middle Aged', 'Milk', 'Phenols', 'Urine', 'Young Adult']","[None, None, None, 'metabolism', 'chemistry', 'methods', None, None, 'chemistry', None, None, 'methods', 'methods', None, 'chemistry', 'chemistry', 'chemistry', None]",1.0,cocoa,0.06060606060606061,"['diketopiperazines', 'polyphenol', 'HPLC-q-ToF', 'alkaloid derivatives']",1,4
24913883,"In this work, a new procedure was developed for the separation and preconcentration of lead(II) and cobalt(II) in several water and foods samples. Complexes of metal ions with 8-hydroxyquinolein (8-HQ) were formed in aqueous solution. The proposed methodology is based on the preconcentration/separation of Pb(II) by solid-phase extraction using paper filter, followed by spectrofluorimetric determination of both metals, on the solid support and the filtered aqueous solution, respectively. The solid surface fluorescence determination was carried out at __em=455 nm (__ex=385 nm) for Pb(II)-8-HQ complex and the fluorescence of Co(II)-8-HQ was determined in aqueous solution using __em=355 nm (__ex=225 nm). The calibration graphs are linear in the range 0.14-8.03_10(4) __g L(-1) and 7.3_10(-2)-4.12_10(3) __g L(-1), for Pb(II) and Co(II), respectively, with a detection limit of 4.3_10(-2) and 2.19_10(-2) __g L(-1) (S/N=3). The developed methodology showed good sensitivity and adequate selectivity and it was successfully applied to the determination of trace amounts of lead and cobalt in tap waters belonging of different regions of Argentina and foods samples (milk powder, express coffee, cocoa powder) with satisfactory results. The new methodology was validated by electrothermal atomic absorption spectroscopy with adequate agreement. The proposed methodology represents a novel application of fluorescence to Pb(II) and Co(II) quantification with sensitivity and accuracy similar to atomic spectroscopies.",Sequential determination of lead and cobalt in tap water and foods samples by fluorescence.,"['Animals', 'Argentina', 'Cacao', 'Cobalt', 'Coffee', 'Drinking Water', 'Environmental Monitoring', 'Fluorescence', 'Food Contamination', 'Lead', 'Milk', 'Oxyquinoline', 'Spectrophotometry, Atomic', 'Water Pollutants, Chemical']","[None, None, 'chemistry', 'analysis', 'chemistry', 'analysis', None, None, 'analysis', 'analysis', 'chemistry', 'chemistry', None, 'analysis']",1.0,cocoa,0.043478260869565216,"['__', 'cobalt', '8-HQ']",1,3
12537373,"An in vitro model simulating enzymatic activity in the gastrointestinal tract was developed for the assessment of the potential bioaccessibility of Cd and Pb in cocoa powder and liquor. The model was based on the sequential extraction with simulated gastric and intestinal juices; the residue after the latter extraction was further investigated by using, in parallel, solutions of phytase and cellulase. The solubility of Cd and Pb in the corresponding enzymatic extracts was measured by ICP MS. The bioaccessibility of Cd in cocoa varied from 10 to 50% in gastrointestinal conditions. An additional 20 or 30% of Cd could be recovered by phytase and cellulase, respectively. The bioaccessibility of Pb in gastrointestinal conditions did not exceed 5-10%. Only a few percent more of this metal could be recovered by extraction with phytase and cellulase.",Development of a sequential enzymolysis approach for the evaluation of the bioaccessibility of Cd and Pb from cocoa.,"['Biological Availability', 'Cacao', 'Cadmium', 'Digestion', 'Food Contamination', 'Humans', 'Lead', 'Mass Spectrometry']","[None, 'chemistry', 'analysis', None, 'analysis', None, 'analysis', 'methods']",,cocoa,0.16666666666666666,"['Cd', 'Pb']",1,7
27040819,"Ochratoxin A (OTA) is a mycotoxin produced mostly by several species of Aspergillus and Penicillium. OTA is nephrotoxic in all animal species in which it has been tested and is cancerogenic in rodents. It is associated with Balkan endemic nephropathy. It is naturally present in many crop products such as cereals (barley, wheat, maize) and dried fruits, spices, coffee, wine, olives, and cocoa. The aim of this study was to assess the contamination of three Ivoirian spices with OTA (ginger, chili, and pepper) widely consumed by the population. A total of 90 spice samples (ginger: n___=___30; chili: n___=___30; pepper n___=___30) was taken from various sales outlets of Abidjan. OTA was quantified using an HPLC apparatus coupled with a fluorimetric detector. The chili and ginger samples were contaminated with OTA at a mean concentration of 57.48____±___174 and 0.12____±___0.15____g/kg, respectively. No contamination of the pepper samples was detected. Eight (26.67__%) of the chili samples exceeded the maximum limit of 15____g/kg established by European regulation. These results should serve as an alert on the risk to the consumer population of these products that are highly contaminated with OTA. ",Occurrence of ochratoxin A in spices commercialized in Abidjan (C_te d'Ivoire).,"['Capsicum', 'Chromatography, High Pressure Liquid', ""Cote d'Ivoire"", 'Fluorometry', 'Ginger', 'Ochratoxins', 'Piper nigrum']","['chemistry', None, None, None, 'chemistry', 'analysis', 'chemistry']",0.0,cocoa,0.19696969696969696,"['OTA', 'mycotoxin', 'ginger', 'n___=___30', 'Ochratoxin A']",1,13
16608201,"Since recent reports on the role of N-phenylpropenoyl-L-amino acids as powerful antioxidants and key contributors to the astringent taste of cocoa nibs, there is an increasing interest in the concentrations of these phytochemicals in plant-derived foods. A versatile analytical method for the accurate quantitative analysis of N-phenylpropenoyl-L-amino acids in plant-derived foods by means of HPLC-MS/MS and synthetic stable isotope labeled N-phenylpropenoyl-L-amino acids as internal standards was developed. By means of the developed stable isotope dilution assay (SIDA), showing recovery rates of 95-102%, 14 N-phenylpropenoyl-L-amino acids were quantified for the first time in cocoa and coffee samples. On the basis of the results of LC-MS/MS experiments as well as cochromatography with the synthetic reference compounds N-[3',4'-dihydroxy-(E)-cinnamoyl]-L-tryptophan, N-[4'-hydroxy-(E)-cinnamoyl]-L-tryptophan, and N-[4'-hydroxy-3'-methoxy-(E)-cinnamoyl]-L-tyrosine, respectively, were detected for the first time in cocoa powder, and (-)-N-[4'-hydroxy-(E)-cinnamoyl]-L-tyrosine, (-)-N-[3',4'-dihydroxy-(E)-cinnamoyl]-L-tyrosine, N-[4'-hydroxy-3'-methoxy-(E)-cinnamoyl]-L-tyrosine, (+)-N-[3',4'-dihydroxy-(E)-cinnamoyl]-L-aspartic acid, (+)-N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid, N-[3',4'-dihydroxy-(E)-cinnamoyl]-L-tryptophan, N-[4'-hydroxy-(E)-cinnamoyl]-L-tryptophan, and N-[4'-hydroxy-3'-methoxy-(E)-cinnamoyl]-L-tryptophan, respectively, were detected for the first time in coffee beverages.",Quantitative analysis of N-phenylpropenoyl-L-amino acids in roasted coffee and cocoa powder by means of a stable isotope dilution assay.,"['Amino Acids', 'Cacao', 'Coffea', 'Deuterium', 'Hot Temperature', 'Indicator Dilution Techniques', 'Magnetic Resonance Imaging', 'Phenylpropionates', 'Seeds', 'Spectrometry, Mass, Electrospray Ionization']","['chemistry', 'chemistry', 'chemistry', None, None, None, None, 'chemistry', 'chemistry', None]",1.0,cocoa,0.2549019607843137,"['acid', ""N-[3',4'-dihydroxy-(E)-cinnamoyl]-L-tryptophan"", 'acids', ""(-)-N-[3',4'-dihydroxy-(E)-cinnamoyl]-L-tyrosine"", ""N-[4'-hydroxy-(E)-cinnamoyl]-L-tryptophan"", ""N-[4'-hydroxy-3'-methoxy-(E)-cinnamoyl]-L-tyrosine"", ""(-)-N-[4'-hydroxy-(E)-cinnamoyl]-L-tyrosine""]",1,13
24779628,"Aflatoxins (AFB1, AFB2, AFG1 and AFG2) are immunosuppressant, mutagenic, teratogenic and carcinogenic agents with a widespread presence in foodstuffs. Since human exposure to aflatoxins occurs primarily by contaminated food intake, and given the greater susceptibility of infants to their adverse effects, the quantification of these mycotoxins in infant food based on cereals is of relevance. Aflatoxin levels were determined in 91 Spanish infant cereals classified in terms of non- and organically produced and several types from 10 different manufacturers, using a extraction procedure followed by inmunoaffinity column clean-up step and HPLC with fluorescence detection (FLD) and post-column derivatisation (Kobra Cell system). Daily aflatoxin intake was also assessed. Preliminary analysis showed a valuable incidence of detected infant cereal samples at an upper concentration level than the detection limit for total aflatoxin (66%), corresponding to a 46, 40, 34 and 11% for AFB1, AFB2, AFG1 and AFG2, respectively. Lower aflatoxin values (median, Q1, Q3) in conventional infant cereal (n = 74, AFB1: <LOD (n.d.; 0.02), AFB2: n.d. (n.d.; 0.01), AFG1: <LOD (n.d.; 0.004), and AFG2: n.d. (n.d.; <LOD) and total AF (AFtotal): 0.01 (<LOD; 0.04 _µg kg(-1)) in comparison with infant cereal ecologically produced (n = 17, AFB1: 0.02 (0.02; 0.21), AFB2: n.d. (n.d.; 0.03), AFG1: 0.02 (0.01; 0.05), and AFG2: 0.007 (n.d.; 0.02) and AFtotal: 0.05 (0.03; 0.31 _µg kg(-1)) were found. In addition, five organic formulations (3.11, 1.98, 0.94, 0.47 and 0.21 _µg kg(-1)) exceeded European AFB1 legislation (0.10 _µg kg(-1)) versus two conventional cereals (0.35 and 0.12 _µg kg(-1)). According to the type of infant cereal, those with cocoa had the highest aflatoxin levels. Gluten-free and cereals with dehydrated fruits had an intermediate level and milk- or honey-based cereals and multi-cereals contained the lowest levels. With the exception of the non-compliant cocoa-based organic formulation, none of the infant cereals analyzed gave a higher intake of 1 ng kg(-1) body weight per day, suggesting that infants fed on infant cereals are exposed to a low health hazard. Nevertheless, manufacturers are advised for continued efforts in routine monitoring and a more careful selection of raw material to minimize aflatoxin levels in these infant foods.",Aflatoxin levels and exposure assessment of Spanish infant cereals.,"['Aflatoxin B1', 'Aflatoxins', 'Cacao', 'Chromatography, Affinity', 'Chromatography, High Pressure Liquid', 'Edible Grain', 'Food Contamination', 'Humans', 'Infant', 'Infant Food', 'Maximum Allowable Concentration', 'Spain']","['analysis', 'analysis', 'chemistry', None, None, 'chemistry', 'analysis', None, None, 'analysis', None, None]",0.0,cocoa,0.16666666666666666,"['aflatoxins', 'mycotoxins', 'post-column', 'Aflatoxins', 'FLD', 'AFG1', 'aflatoxin', 'AFB2', 'AFB1', 'Aflatoxin']",1,20
16506802,"A new chromatographic approach for separating cacao procyanidins according to their degree of polymerization has been developed. It utilizes diol stationary phase columns operating in normal phase mode with a binary gradient of acidified acetonitrile and methanol-water. Performance of the diol stationary phase was evaluated on an analytical scale utilizing classical chromatographic conditions for the normal phase separation of procyanidins according to their degree of polymerization. The new separation approach was developed on an analytical scale but further extended to the preparative scale. These newly developed analytical and preparative high-performance liquid chromatography procedures were successfully applied to the separation, as well as isolation, of cacao procyanidins from unfermented cacao seeds. The degree of polymerization associated with each molecular weight fraction was determined by mass spectrometry.",High-performance liquid chromatography separation and purification of cacao (Theobroma cacao L.) procyanidins according to degree of polymerization using a diol stationary phase.,"['Cacao', 'Chromatography, High Pressure Liquid', 'Mass Spectrometry', 'Molecular Weight', 'Polymers', 'Proanthocyanidins', 'Seeds']","['chemistry', 'methods', None, None, 'chemistry', 'chemistry', 'chemistry']",0.0,cocoa,0.09375,"['cacao procyanidins', 'procyanidins']",1,3
22649938,"A single-laboratory validation study was performed for an HPLC method to identify and quantify the flavanol enantiomers (+)- and (-)-epicatechin and (+)- and (-)-catechin in cocoa-based ingredients and products. These compounds were eluted isocratically with an ammonium acetate-methanol mobile phase applied to a modified beta-cyclodextrin chiral stationary phase and detected using fluorescence. Spike recovery experiments using appropriate matrix blanks, along with cocoa extract, cocoa powder, and dark chocolate, were used to evaluate accuracy, repeatability, specificity, LOD, LOQ, and linearity of the method as performed by a single analyst on multiple days. In all samples analyzed, (-)-epicatechin was the predominant flavanol and represented 68-91% of the total monomeric flavanols detected. For the cocoa-based products, within-day (intraday) precision for (-)-epicatechin was between 1.46-3.22%, for (+)-catechin between 3.66-6.90%, and for (-)-catechin between 1.69-6.89%; (+)-epicatechin was not detected in these samples. Recoveries for the three sample types investigated ranged from 82.2 to 102.1% at the 50% spiking level, 83.7 to 102.0% at the 100% spiking level, and 80.4 to 101.1% at the 200% spiking level. Based on performance results, this method may be suitable for routine laboratory use in analysis of cocoa-based ingredients and products.",Method for the determination of catechin and epicatechin enantiomers in cocoa-based ingredients and products by high-performance liquid chromatography: single-laboratory validation.,"['Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Food Analysis', 'Reproducibility of Results', 'Sensitivity and Specificity', 'Stereoisomerism']","['chemistry', 'chemistry', 'methods', 'methods', None, None, None]",,cocoa,0.16666666666666666,"['flavanol', 'cocoa extract, cocoa', '(+)-catechin', 'beta-cyclodextrin', 'ammonium acetate-methanol', 'flavanols', '(-)-epicatechin']",1,10
1812015,"Mineral hydrocarbons are used as processing aids at levels between 0.3 and 3% by weight in crystal polystyrene articles, the food contact uses of which include the dispensing of hot and cold beverages from automatic machines as well as in 'fast-food' and catering establishments. The levels of migration of mineral hydrocarbons from polystyrene cups and glasses have been measured into aqueous food simulants as well as lager, beer, cola, sparkling apple juice, lemon barley water, coffee, hot chocolate, tea, lemon tea and chicken soup. For the cold beverages and simulants, no migration above 0.1 mg/kg was observed, and for the hot beverages and simulants no result greater than 0.5 mg/kg. Analysis was by capillary gas chromatography, using hydrocarbon internal standards calibrated against mineral hydrocarbon reference standards.",Migration of mineral hydrocarbons into foods. 1. Polystyrene containers for hot and cold beverages.,"['Beverages', 'Chromatography, Gas', 'Cold Temperature', 'Food Analysis', 'Food Contamination', 'Hot Temperature', 'Hydrocarbons', 'Polystyrenes']","['analysis', None, None, 'methods', None, None, 'analysis', 'analysis']",,cocoa,0.075,"['mineral hydrocarbons', 'sparkling apple juice, lemon barley water, coffee', 'aqueous food simulants']",1,3
730801,"Eighteen water-soluble food dyes have been studied by chromatography on thin layers of anion-exchange (AG 1-X4, DEAE-cellulose, PAB-cellulose and chitosan) and cation-exchange (Dowex 50-X4, Rexyn 102 and humic acid) materials; layers of silanised silica gel impregnated with cationic or anionic detergent were also used. Fourteen of the dyes were separated, but the two orange and the two black dyes were not. Some applications of the techniques to commercial products are reported.",Separation and identification of water-soluble food dyes by ion-exchange and soap thin-layer chromatography.,"['Cacao', 'Candy', 'Chromatography, Ion Exchange', 'Chromatography, Thin Layer', 'Food Coloring Agents', 'Solubility', 'Water']","['analysis', 'analysis', None, None, 'analysis', None, None]",,cocoa,0.16666666666666666,"['chitosan', 'AG', 'Rexyn', 'humic acid']",1,4
12714070,"Paper substrate room temperature phosphorescence (RTP) of theobromine (TB), caffeine (CF) and theophylline (TP) were investigated. The method is based on fast speed quantitative filter paper as substrate and KI-NaAc as heavy atom perturber. Various factors affecting their RTP were discussed in detail. Under the optimum experimental conditions, the linear dynamic range, limit of detection (LOD), and relative standard deviation (R.S.D.) were 14.41 approximately 576.54 ng per spot, 1.14 ng per spot, 4.8% for TB, 5.44 approximately 699.08 ng per spot, 0.78 ng per spot, 1.56% for CF, 7.21 approximately 360.34 ng per spot, 1.80 ng per spot, 3.80% for TP, respectively. The first analytical application for the determination of these compounds was developed. The recovery of standard samples added to commercial products chocolate, tea, coffee and aminophylline is in the range 92.80-106.08%. The proposed method was successfully applied to real sample analysis without separation.","Study on the paper substrate room temperature phosphorescence of theobromine, caffeine and theophylline and analytical application.","['Aminophylline', 'Cacao', 'Caffeine', 'Coffee', 'Hydrogen-Ion Concentration', 'Luminescence', 'Metals, Heavy', 'Paper', 'Spectrometry, Fluorescence', 'Tea', 'Temperature', 'Theobromine', 'Theophylline']","['analysis', 'chemistry', 'analysis', 'chemistry', None, None, None, None, None, 'chemistry', None, 'analysis', 'analysis']",0.0,cocoa,0.14634146341463414,"['theophylline', 'theobromine', 'aminophylline', 'RTP', 'TP', 'caffeine']",1,6
16819634,"An accurate and precise method for the quantification of acrylamide using stable isotope dilution liquid chromatography-tandem mass spectrometry was developed and used to measure acrylamide in coffee and cocoa samples. The sample preparation involved extraction of the analyte and its internal standard, 13C3-acrylamide, into water and subsequent defatting of the aqueous extract with dichloromethane. An aliquot of the resulting aqueous extract was then azeotropically dried under reduced pressure and subsequently purified using an aminopropyl-bonded silica cartridge. The purified extracts were then chromatographed on a 5-microm 2.1 x 150 mm Hypercarb column, the effluent of which was monitored for the analyte and its internal standard using positive-ion APCI-selected reaction monitoring. The intra-laboratory reproducibility of the method, expressed as a relative coefficient of variation (%, n=5), was determined at four levels of concentration (12.3, 42.3, 139.3 and 464.8 microg kg(-1)) and was found to vary between 0.6-2.5%. The accuracy of the method was assessed using a reference sample of coffee. The average result obtained using our method differed from the assigned value of the reference material by less than 1%. An analysis of a cocoa sample revealed that the method is capable of precisely estimating acrylamide in challenging matrices down to a level of at least 12.3 microg kg(-1).",Analysis of acrylamide in coffee and cocoa by isotope dilution liquid chromatography-tandem mass spectrometry.,"['Acrylamide', 'Cacao', 'Carbon Isotopes', 'Chromatography, Liquid', 'Coffee', 'Sensitivity and Specificity', 'Tandem Mass Spectrometry']","['analysis', 'chemistry', 'chemistry', 'methods', 'chemistry', None, 'methods']",1.0,cocoa,0.12727272727272726,"['dichloromethane', 'acrylamide', '13C3-acrylamide', 'aqueous extract']",1,7
19569109,"A method to analyze volatile compounds from cacao beans has been developed and evaluated. The method utilizes solid phase micro extraction (SPME) sampling followed by comprehensive 2-D (GC x GC) coupled with TOFMS. For the SPME procedure, a polydimethyl siloxane/divinyl benzene (PDMS/DVB) fiber was implemented. Cacao beans from four geographical origins were studied under two storage conditions, either dry or high moisture. A given cacao bean sample was sealed in a SPME vial and heated for 15 min. Extraction temperatures of 45, 60, 80, and 100 degrees C were analyzed and an optimal extraction temperature of 60 degrees C was determined. Many peaks were found to change as a function of storage conditions with Fisher Ratio analysis. Four representative compounds were identified and quantified (on a relative basis): acetic acid, nonanal, tetramethyl pyrazine, and trimethyl pyrazine. Acetic acid and nonanal were elevated in samples without evident mold on the bean surface, while the two pyrazines were elevated when mold was evident on the bean surface. The results for these comparisons, indicate that metabolism at the bean surface plays a role in the concentration of analytes, and can be readily determined using this analytical technology and methodology.",Development of a GC x GC-TOFMS method using SPME to determine volatile compounds in cacao beans.,"['Cacao', 'Chromatography, Gas', 'Food Preservation', 'Humidity', 'Mass Spectrometry', 'Plant Extracts', 'Solid Phase Extraction', 'Solvents', 'Volatile Organic Compounds']","['chemistry', 'instrumentation', None, None, 'instrumentation', 'analysis', 'instrumentation', 'chemistry', 'analysis']",0.0,cocoa,0.09523809523809523,"['nonanal, tetramethyl pyrazine', 'trimethyl pyrazine', 'pyrazines', 'Acetic acid', 'polydimethyl siloxane/divinyl benzene', 'acetic acid']",1,6
25803838,"Proanthocyanidins are a class of polyphenols present in many foodstuffs (i.e., tea, cocoa, berries, etc.) that may reduce the risk of several chronic diseases. Barley, with sorghum, rice, and wheat, are the only cereals that contain these compounds. Because of that, two barley genotypes, named waxy and non-waxy, were analyzed by normal-phase high-performance liquid chromatography-fluorescence detection-mass spectrometry (NP-HPLC-FLD-MS). Total proanthocyanidin content ranged between 293.2 and 652.6 __g/g of flour. Waxy samples reported the highest content (p < 0.05) of proanthocyanidins. Dimer compounds were the principal proanthocyanidin constituents of barley samples. Moreover, the possibility to use near-infrared (NIR) spectroscopy as a rapid method to discriminate between waxy and non-waxy samples and to predict quantitatively proanthocyanidins in barley samples was evaluated. Partial least squares (PLS) models were built to predict the proanthocyanidin constituent, obtaining determination coefficients (R(2)) ranging from 0.92 to 0.97, in test set validation. Because of that, this study highlights that NIR spectroscopy technology with multivariate calibration analysis could be successfully applied as a rapid method to determine proanthocyanidin content in barley. ",Analysis of oligomer proanthocyanidins in different barley genotypes using high-performance liquid chromatography-fluorescence detection-mass spectrometry and near-infrared methodologies.,"['Chromatography, High Pressure Liquid', 'Genotype', 'Hordeum', 'Mass Spectrometry', 'Plant Extracts', 'Proanthocyanidins', 'Spectroscopy, Near-Infrared']","['methods', None, 'chemistry', 'methods', 'chemistry', 'chemistry', 'methods']",0.0,cocoa,0.09090909090909091,"['polyphenols', 'proanthocyanidin', 'Proanthocyanidins', 'proanthocyanidins']",1,5
11404845,"Rapid analysis of molecular mass distributions of triacylglycerol (TAG) mixtures and regioisomeric structures of selected molecular mass species is possible using ammonia negative ion chemical ionization mass spectrometry utilizing sample introduction by direct exposure probe. However, interpretation of spectra and calculation of results is time consuming, thus lengthening the total analysis time. To facilitate result calculation a software package (MSPECTRA 1.3) was developed and applied to automatic processing of triacylglycerol molecular mass distribution spectra and collision induced dissociation (CID) product ion spectra. The program is capable of identifying triacylglycerol molecular mass species possessing different ACN:DB (acyl carbon number:number of double bonds) ratios on the basis of m/z values of [M - H](-) ions. In addition to such identification the program also corrects spectra for abundances of naturally occurring (13)C isotopes and calculates relative proportions of triacylglycerol molecular species in the analyzed samples. If several replicate spectra are processed simultaneously the program automatically calculates an average and standard deviation of relative proportions of molecular species. In the case of CID spectra the program identifies fatty acid fragment ions [RCO(2)](-) and the corresponding [M - H - RCO(2)H - 100](-) ions, and calculates the relative proportions of ions in both groups. These proportions are then used automatically to calculate the fatty acid combinations comprising the parent triacylglycerol molecule and the regiospecific positions of fatty acids. Processing of several replicate product ion spectra simultaneously produces averaged proportions of regioisomers comprising the parent triacylglycerol molecular species and the standard deviation of the analysis. The performance of the program was tested by analyzing triacylglycerol samples of human milk, human milk substitutes, human chylomicron and cocoa butter, and by comparing results obtained by automated processing of the data with manually calculated results.",Software (MSPECTRA) for automatic interpretation of triacylglycerol molecular mass distribution spectra and collision induced dissociation product ion spectra obtained by ammonia negative ion chemical ionization mass spectrometry.,"['Ammonia', 'Automation', 'Chylomicrons', 'Data Interpretation, Statistical', 'Dietary Fats', 'Humans', 'Milk, Human', 'Molecular Weight', 'Software', 'Spectrometry, Mass, Secondary Ion', 'Stereoisomerism', 'Triglycerides']","[None, None, 'chemistry', None, 'analysis', None, 'chemistry', None, None, 'methods', None, 'chemistry']",,cocoa,0.15151515151515152,"['regioisomers', 'ACN', 'ammonia', 'triacylglycerol', 'fatty acids', 'TAG', 'carbon', 'fatty acid']",1,15
12894818,"A stable isotope dilution assay for the quantification of free and total pantothenic acid has been developed by using [13C3,15N]-pantothenic acid as the internal standard. The three-dimensional specificity of liquid chromatography-tandem mass spectrometry enabled unequivocal determination of the vitamin. Due to the very simple extraction and clean-up procedure, free pantothenic acid could be analysed within 2 h, which is much faster than by microbiological or gas chromatographic assays. For quantification of total pantothenic acid, the vitamin was liberated from its conjugates by an overnight incubation with pigeon liver pantetheinase and alkaline phosphatase. In analyses of corn flour, the intra-assay coefficient of variation was 8.5% (n = 5) and 15.3% (n = 4) for free and total pantothenic acid, respectively. When pantothenic acid was added to corn starch at a level of 6 mg kg(-1), a recovery of 97.5% was found. Application of the stable isotope dilution assay to whole egg powder, hazel nuts and corn revealed similar data compared to those listed in nutrition data bases, whereas the content in mushrooms and porcine liver determined by the newly developed assay appeared to be lower and that of cocoa higher than reported in the literature.",Pantothenic acid quantification by a stable isotope dilution assay based on liquid chromatography-tandem mass spectrometry.,"['Chromatography, Liquid', 'Food Analysis', 'Humans', 'Indicator Dilution Techniques', 'Mass Spectrometry', 'Pantothenic Acid']","['methods', 'methods', None, None, 'methods', 'analysis']",,cocoa,0.14,"['pantothenic acid', 'vitamin']",1,7
10805455,"Cell wall material (CWM) was prepared from sun-dried cocoa (Theobroma cacao L.) bean cotyledons before and after fermentation. The monosaccharide composition of the CWM was identical for unfermented and fermented beans. Polysaccharides of the CWM were solubilised by sequential extraction with 0.05 M trans-1,2-diaminocyclohexane-N,N,N',N'-tetraacetic acid (CDTA), 0.05 M Na2CO3, and 1 M, 4 M and 8 M KOH. The non-cellulosic sugar composition for each fraction was similar for unfermented and fermented samples, indicating that fermentation caused no significant modification of the structural features of individual cell wall polysaccharides. Pectic polysaccharides accounted for 60% of the cell wall polysaccharides but only small amounts could be solubilised in solutions of CDTA, Na2CO3, and 1 M and 4 M KOH. The bulk of the pectic polysaccharides were solubilised in 8 M KOH and were characterised by a rhamnogalacturonan backbone heavily substituted with side-chains of 5-linked arabinose and 4-linked galactose. Linkage analysis indicated the presence of additional acidic polysaccharides, including a xylogalacturonan and a glucuronoxylan. Cellulose, xyloglucan and a galactoglucomannan accounted for 28%, 8% and 3% of the cell wall polysaccharides, respectively. It is concluded that the types and structural features of cell wall polysaccharides in cocoa beans resemble those found in the parenchymatous tissue of many fruits and vegetables rather than those reported for many seed storage polysaccharides.",Isolation and characterisation of cell wall polysaccharides from cocoa (Theobroma cacao L.) beans.,"['Cacao', 'Cell Wall', 'Chemical Fractionation', 'Chromatography, Gel', 'Hydroxides', 'Monosaccharides', 'Pectins', 'Polysaccharides', 'Potassium Compounds']","['chemistry', 'chemistry', None, None, None, 'analysis', 'analysis', 'analysis', None]",0.0,cocoa,0.09090909090909091,"['Theobroma cacao L.) bean cotyledons', '4-linked galactose', 'arabinose', ""N,N',N'-tetraacetic acid"", 'CDTA']",1,6
12903971,"Natural (raw) and roasted hazelnuts were compared for their differences in volatile components and sensory responses. A total of 79 compounds were detected in both hazelnuts, of which 39 (27 positive, 5 tentative, and 7 unknown) were detected in natural hazelnut and 71 (40 positive, 14 tentative, and 17 unknown) were detected in roasted hazelnut. These included ketones, aldehydes, pyrazines, alcohols, aromatic hydrocarbons, furans, pyrroles, terpenes, and acids. Pyrazines, pyrroles, terpenes, and acids were detected in roasted hazelnut only. Concentrations of several compounds increased as a result of roasting and these may play significant roles in the flavor of roasted hazelnut. Pyrazines together with ketones, aldehydes, furans, and pyrroles may contribute to the characteristic roasted aroma of hazelnut. Descriptive sensory analysis (DSA) showed that some flavor attributes such as ""aftertaste"", ""burnt"", ""coffee/chocolate-like"", ""roasty"", and ""sweet"" were rated significantly higher in roasted hazelnut compared to its natural counterpart. Natural and roasted hazelnuts can be distinguished using these attributes.",Comparison of natural and roasted Turkish tombul hazelnut (Corylus avellana L.) volatiles and flavor by DHA/GC/MS and descriptive sensory analysis.,"['Aldehydes', 'Chromatography, Gas', 'Corylus', 'Gas Chromatography-Mass Spectrometry', 'Hot Temperature', 'Ketones', 'Odorants', 'Pyrazines', 'Seeds', 'Sensitivity and Specificity', 'Taste', 'Volatilization']","['analysis', 'methods', 'chemistry', None, None, 'analysis', 'analysis', 'analysis', 'chemistry', None, None, None]",0.0,cocoa,0.20967741935483872,"['pyrroles, terpenes', 'Pyrazines', 'ketones', 'aldehydes', 'pyrazines', 'terpenes', 'acids', 'furans', 'alcohols, aromatic hydrocarbons']",1,13
21196008,"Beer is one of the most commonly consumed undistilled alcoholic beverages in many countries. In recent studies, the stilbenes resveratrol and piceid have been found in some hop varieties which are used in the production of beer. Therefore, they could be transferred to beer. The aim of the present work was to validate a method to study the potential content of trans- and cis-resveratrol and piceid in 110 commercial beers from around the world. The resveratrol and piceid contents of 110 beers were analyzed by liquid chromatography-tandem mass spectrometry (LC-MS/MS) after a solid-phase extraction (SPE) using optimized and validated procedures for the beer matrix. The beer matrix effect was also studied. Stilbenes were found in quantifiable amounts in 92 beers, while concentrations below the limit of quantification (LOQ) were found in 18 beers. Resveratrol was found in the range of 1.34-77.0__g/L in 79% of the beers analyzed, and piceid was found in the range of 1.80-27.3__g/L in only 33% of them. The mean of total resveratrol in all the beers was 14.7_±20.5__g/L. The content of resveratrol has been compared with other resveratrol containing foods. A serving of beer contains similar amounts of stilbenes as berries, less than chocolate and grape products but more than pistachios, peanuts or tomatoes. Overall, beer is one of the products with the lowest levels of total resveratrol (__g/L), and despite its high consumption it should not be considered as a representative source of resveratrol.",Determination of resveratrol and piceid in beer matrices by solid-phase extraction and liquid chromatography-tandem mass spectrometry.,"['Beer', 'Chromatography, Liquid', 'Glucosides', 'Least-Squares Analysis', 'Reproducibility of Results', 'Sensitivity and Specificity', 'Solid Phase Extraction', 'Stereoisomerism', 'Stilbenes', 'Tandem Mass Spectrometry']","['analysis', 'methods', 'analysis', None, None, None, 'methods', None, 'analysis', 'methods']",0.0,cocoa,0.21428571428571427,"['trans-', 'resveratrol', '__g/L', 'piceid', 'cis-resveratrol', 'stilbenes resveratrol', 'SPE', 'piceid contents']",1,15
8149488,"Pyrrolidinone was identified in food and tobacco samples by gas chromatography combined with NO-specific chemiluminescence detection (TEA). Up to 77 mg/kg pyrrolidinone were detected in cocoa powders, coffee, coffee surrogates, dried vegetables and tobacco leaves. When treated with excess nitrite under acidic conditions, N-nitrosopyrrolidinone was formed in concentrations up to 44 mg/kg. The nitrosation characteristics of pyrrolidinone indicate its possible conversion to nitrosopyrrolidinone under conditions of the gastric tract.",Occurrence of the nitrosamide precursor pyrrolidin-(2)-one in food and tobacco.,"['Cacao', 'Coffee', 'Food Analysis', 'Hydrogen-Ion Concentration', 'Mass Spectrometry', 'Nitroso Compounds', 'Plants, Toxic', 'Pyrrolidinones', 'Tobacco']","['chemistry', 'chemistry', None, None, None, 'chemistry', None, 'chemistry', 'chemistry']",,cocoa,0.17857142857142858,"['nitrosopyrrolidinone', 'TEA', 'pyrrolidinone', 'Pyrrolidinone', 'nitrite']",1,5
24070492,"The study proposes an investigation strategy that simultaneously provides detailed profiling and quantitative fingerprinting of food volatiles, through a ""comprehensive"" analytical platform that includes sample preparation by Headspace Solid Phase Microextraction (HS-SPME), separation by two-dimensional comprehensive gas chromatography coupled with mass spectrometry detection (GC_GC-MS) and data processing using advanced fingerprinting approaches. Experiments were carried out on roasted hazelnuts and on Gianduja pastes (sugar, vegetable oil, hazelnuts, cocoa, nonfat dried milk, vanilla flavorings) and demonstrated that the information potential of each analysis can better be exploited if suitable quantitation methods are applied. Quantitation approaches through Multiple Headspace Extraction and Standard Addition were compared in terms of performance parameters (linearity, precision, accuracy, Limit of Detection and Limit of Quantitation) under headspace linearity conditions. The results on 19 key analytes, potent odorants, and technological markers, and more than 300 fingerprint components, were used for further processing to obtain information concerning the effect of the matrix on volatile release, and to produce an informative chemical blueprint for use in sensomics and flavoromics. The importance of quantitation approaches in headspace analysis of solid matrices of complex composition, and the advantages of MHE, are also critically discussed. ",Quantitative fingerprinting by headspace--two-dimensional comprehensive gas chromatography-mass spectrometry of solid matrices: some challenging aspects of the exhaustive assessment of food volatiles.,"['Corylus', 'Food Analysis', 'Gas Chromatography-Mass Spectrometry', 'Solid Phase Microextraction', 'Volatile Organic Compounds']","['chemistry', 'methods', 'instrumentation', None, 'analysis']",0.0,cocoa,0.08196721311475409,"['Gianduja', 'headspace', 'Headspace']",1,5
11585977,"Oral clearance and acid production were observed in 30 volunteers following the ingestion of sharp cheddar cheese (CC) and in 9 volunteers following the ingestion of milk chocolate (MC) and low-fat yogurt, and then when MC was eaten immediately after CC (CC/MC) and when CC was eaten following MC (MC/CC). After each test food or food combination had been ingested the volunteers were monitored at five different tooth sites. At each site, using an absorbent paper point, 4 oral fluid samples were collected at 30 min intervals. The five paper points from each sampling occasion were pooled, extracted with 1 ml of water and analyzed qualitatively and quantitatively for both carbohydrates and organic acids using HPLC. Data obtained for each food was averaged and subjected to statistical evaluation. With the CC, glucose clearance was prolonged, due to intermediate lactose degradation into galactose and glucose. The quantity of lactic acid produced during the four intervals was monitored for each of the test foods and their combinations.",Oral clearance and acid production of dairy products during interaction with sweet foods.,"['Cacao', 'Cheese', 'Chromatography, High Pressure Liquid', 'Dairy Products', 'Dietary Carbohydrates', 'Dietary Sucrose', 'Humans', 'Lactates', 'Lactic Acid', 'Saliva', 'Time Factors', 'Yogurt']","['metabolism', None, None, None, 'metabolism', 'metabolism', None, 'metabolism', 'metabolism', 'chemistry', None, None]",,cocoa,0.2777777777777778,"['MC/CC', 'galactose', 'lactic acid', 'CC', 'carbohydrates', 'glucose', 'acids', 'lactose', 'MC']",1,15
7546538,"Sixteen microorganisms of Aspergillus strains were screened for production of kojic acid using cocoa juice as carbon source. Only Aspergillus flavus ATCC 9179 was found to produce the acid in low yield (22 mg/ml). Calcium alginate immobilization of the cells was used under optimum conditions to maximize the yield of kojic acid (60 mg/ml). Cultures were incubated in the medium with 50% of cocoa juice added in pulses of 8 ml each every 96 hours, and 4% methanol, pH 3.5, 150 rpm, 26 degrees C for three weeks. The incubations were monitored by thin layer and high pressure liquid chromatography. Kojic acid was extracted from the culture broth by organic solvent, concentrated and crystallized. The chemical identity of kojic acid was determined by HPLC, MS, 1H- and 13C-NMR spectroscopy.",Kojic acid production from cocoa juice by Aspergillus flavus entrapped in calcium alginate.,"['Alginates', 'Aspergillus flavus', 'Cacao', 'Chromatography, High Pressure Liquid', 'Chromatography, Thin Layer', 'Glucuronic Acid', 'Hemostatics', 'Hexuronic Acids', 'Mycotoxins', 'Pyrones']","['chemistry', 'metabolism', 'metabolism', None, None, None, 'chemistry', None, 'metabolism', 'metabolism']",,cocoa,0.25,"['cocoa juice', 'acid', 'Kojic acid', 'Calcium', 'methanol', 'carbon', 'kojic acid']",1,10
20132681,"Between 2004 and 2007 we examined foods from Japanese retail shops for contamination with ochratoxin A (OTA) and fumonisins B(1), B(2), and B(3). A total of 1,358 samples of 27 different products were examined for OTA, and 831 samples of 16 different products were examined for fumonisins. The limits of quantification ranged from 0.01 to 0.5 microg/kg for OTA and 2 to 10 microg/kg for the fumonisins. OTA was detected in amounts higher than limits of quantification in wheat flour, pasta, oatmeal, rye, buckwheat flour and dried buckwheat noodles, raisins, wine, beer, coffee beans and coffee products, chocolate, cocoa, and coriander. OTA was found in more than 90% of the samples of instant coffee and cocoa, and the highest concentration of OTA, 12.5 microg/kg, was detected in raisins. The concentration of OTA in oatmeal, rye, raisins, wine, and roasted coffee beans varied remarkably from year to year. Fumonisins were detected in frozen and canned corn, popcorn grain, corn grits, cornflakes, corn soups, corn snacks, beer, soybeans, millet, and asparagus. The highest concentrations of fumonisins B(1), B(2), and B(3) were detected in corn grits (1,670, 597, and 281 microg/kg, respectively). All of the samples of corn grits were contaminated with fumonisins, and more than 80% of the samples of popcorn grain and corn snacks contained fumonisins. OTA and fumonisins were detected in several food products in Japan; however, although Japan has not set regulatory levels for these mycotoxins, their concentrations were relatively low.",Four-year surveillance for ochratoxin a and fumonisins in retail foods in Japan.,"['Beer', 'Cacao', 'Chromatography, High Pressure Liquid', 'Consumer Product Safety', 'Edible Grain', 'Food Analysis', 'Food Contamination', 'Fumonisins', 'Humans', 'Japan', 'Mycotoxins', 'Ochratoxins', 'Risk Assessment']","['analysis', 'chemistry', 'methods', None, 'chemistry', None, 'analysis', 'analysis', None, None, 'analysis', 'analysis', None]",,cocoa,0.19,"['ochratoxin A', 'OTA', 'mycotoxins', 'Fumonisins', 'fumonisins', 'roasted coffee beans']",1,19
22649911,"At the ""Standards Development and International Harmonization: AOAC INTERNATIONAL Mid-Year Meeting,"" on June 29, 2011, an Expert Review Panel agreed that the method ""Determination of Vitamin B12 in Infant Formulas and Adult Nutritionals by Liquid Chromatography/UV Detection with Immunoaffinity Extraction"" be adopted AOAC Official First Action status. The method is applicable for the determination of vitamin B12, which includes added cyanocobalamin and natural forms, making it applicable to both fortified and nonfortified products. Vitamin B12 is extracted from the sample in sodium acetate buffer in the presence of sodium cyanide (100 degrees C, 30 min). After purification and concentration with an immunoaffinity column, vitamin B12 is determined by LC with UV detection (361 nm). A single-laboratory validation study was conducted on a range of products, including milk- and soy-based infant formulas, cereals, cocoa beverages, health care products, and polyvitamin premixes. The method demonstrated linear response over a large range of concentrations, recovery rates of 100.8 +/- 7.5% (average +/- SD), repeatability RSD (RSDr) of 2.1%, and intermediate reproducibility (RSD(iR)) of 4.3%. LOD and LOQ values were 0.10 and 0.30 microg/100 g, respectively, and correlation with the reference microbiological assay was good (R2 = 0.9442). The results of the study were published in J. AOAC Int. 91, 786-793 (2008). The performance characteristics of the method met the standard method performance requirements set forth by the Stakeholder Panel on Infant Formula and Adult Nutritionals; thus, the method was determined to be appropriate for First Action status.",Determination of vitamin B12 in infant formula and adult nutritionals by liquid chromatography/UV detection with immunoaffinity extraction: First Action 2011.08.,"['Adult', 'Child', 'Chromatography, Liquid', 'Food Analysis', 'Food, Formulated', 'Humans', 'Infant', 'Infant Formula', 'Liquid-Liquid Extraction', 'Reference Standards', 'Reproducibility of Results', 'Ultraviolet Rays', 'Vitamin B 12', 'Vitamins']","[None, None, 'methods', 'methods', 'analysis', None, None, 'chemistry', None, None, None, None, 'chemistry', 'chemistry']",,cocoa,0.12,"['cyanocobalamin', 'Vitamin B12', 'vitamin B12', 'fortified', 'sodium cyanide', 'sodium acetate', 'premixes']",1,9
23564311,"Eighty-five samples of cocoa products sampled in Canada were analysed for ochratoxin A (OTA) and aflatoxins in 2011-2012. Inclusion of the aflatoxins in this survey required additional method development. Chocolate was extracted with methanol-water plus NaCl, while for cocoa two successive extractions with methanol and methanol-water were made. Extracts were cleaned on an AflaOchra immunoaffinity column (IAC). Determination was by reversed phase high performance liquid chromatography (HPLC). Detection of the aflatoxins was with a post-column photochemical reactor and of OTA by fluorescence detection. Mean limits of quantification (LOQ) of chocolate and cocoa powders were 0.16 ng/g (OTA) and 0.07 ng/g (aflatoxin B1), respectively. Survey results showed that the incidences of OTA above the LOQ in natural cocoa were 15/15 (mean 1.17 ng/g), 20/21 for alkalized cocoa (mean 1.06 ng/g), 9/9 for baking chocolate (mean 0.49 ng/g), 20/20 for dark chocolate (mean 0.39 ng/g), 7/10 for milk chocolate (mean 0.19 ng/g), 5/5 for cocoa liquor (mean 0.43 ng/g), and 0/5 for cocoa butter. These results confirm our previous work with OTA. In the same samples, incidences of aflatoxin B1 above the LOQ were 14/15 for natural cocoa (mean 0.86 ng/g), 20/21 for alkalized cocoa (mean 0.37 ng/g), 7/9 for baking chocolate (mean 0.22 ng/g), 16/20 for dark chocolate (mean 0.19 ng/g), 7/10 for milk chocolate (mean 0.09 ng/g), 4/5 for cocoa liquor (mean 0.43 ng/g), and 0/5 for cocoa butter. Both aflatoxins and OTA were confirmed by HPLC-MS/MS when OTA or aflatoxin levels found were above 2 ng/g in cocoa.",Analysis of cocoa products for ochratoxin A and aflatoxins.,"['Aflatoxins', 'Cacao', 'Canada', 'Chromatography, High Pressure Liquid', 'Fluorometry', 'Food Contamination', 'Ochratoxins', 'Tandem Mass Spectrometry']","['analysis', 'chemistry', None, None, None, 'analysis', 'analysis', None]",1.0,cocoa,0.3108108108108108,"['ochratoxin A', 'IAC', 'NaCl', 'OTA', 'aflatoxins', 'cocoa', 'cocoa butter', 'aflatoxin B1', 'post-column', 'aflatoxin', 'methanol', 'chocolate']",1,23
29331224,"Proanthocyanidins (PACs) find wide applications for human use including food, cosmetics, dietary supplements, and pharmaceuticals. The chemical complexity associated with PACs has triggered the development of various chromatographic techniques, with countercurrent separation (CCS) gaining in popularity. This study applied the recently developed DESIGNER (Depletion and Enrichment of Select Ingredients Generating Normalized Extract Resources) approach for the selective enrichment of trimeric and tetrameric PACs using centrifugal partition chromatography (CPC). This CPC method aims at developing PAC based biomaterials, particularly for their application in restoring and repairing dental hard tissue. A general separation scheme beginning with the depletion of polymeric PACs, followed by the removal of monomeric flavan-3-ols and a final enrichment step produced PAC trimer and tetramer enriched fractions. A successful application of this separation scheme is demonstrated for four polyphenol rich plant sources: grape seeds, pine bark, cinnamon bark, and cocoa seeds. Minor modifications to the generic DESIGNER CCS method were sufficient to accommodate the varying chemical complexities of the individual source materials. The step-wise enrichment of PAC trimers and tetramers was monitored using normal phase TLC and Diol-HPLC-UV analyses. CPC proved to be a reliable tool for the selective enrichment of medium size oligomeric PACs (OPACs). This method plays a key role in the development of dental biomaterials considering its reliability and reproducibility, as well as its scale-up capabilities for possible larger-scale manufacturing.",Centrifugal partition chromatography enables selective enrichment of trimeric and tetrameric proanthocyanidins for biomaterial development.,"['Biocompatible Materials', 'Chromatography, High Pressure Liquid', 'Chromatography, Liquid', 'Plant Extracts', 'Proanthocyanidins', 'Reproducibility of Results']","['chemical synthesis', 'methods', None, 'chemistry', 'chemistry', None]",0.0,cocoa,0.1111111111111111,"['cinnamon bark', 'CPC', 'DESIGNER', 'polyphenol', 'pine', 'PAC', 'Proanthocyanidins']",1,9
18804601,"In this paper is proposed a simultaneous pre-concentration procedure using cloud point extraction for the determination of copper and zinc in food samples employing sequential multi-element flame atomic absorption spectrometry (FS-FAAS). The reagent used is 1-(2-pyridylazo)-2-naphthol (PAN) and the micellar phase is obtained using the non-ionic surfactant octylphenoxypolyethoxyethanol (Triton X-114) and centrifugation. The optimization step was performed using Box-Behnken design for three factors: solution pH, reagent concentration and buffer concentration. A multiple response function was established in order to get an experimental condition for simultaneous extraction of copper and zinc. Under the optimized experimental conditions, the method allows the determination of copper with a limit of detection (3sigma(b)/S, LOD) of 0.1 microg L(-1), precision expressed as relative standard deviation (R.S.D.) of 2.1 and 1.3% (N=10), for copper concentrations of 10 and 50 microg L(-1), respectively. Zinc is determined with a LOD of 0.15 microg L(-1) and precision as R.S.D. of 2.7 and 1.7% for concentrations of 10 and 50 microg L(-1), respectively. The enhancement factors obtained were 36 and 32 for copper and zinc, respectively. The accuracy was assessed by analysis of certified reference materials, namely, SRM 1567a - Wheat Flour and SRM 8433 - Corn Bran from National Institute of Standards & Technology and BCR 189-wholemeal flour from Institute of Reference Materials and Measurements. The method was applied to the determination of copper and zinc in oats, powdered chocolate, corn flour and wheat flour samples. The copper content in the samples analyzed varied from 1.14 to 3.28 microg g(-1) and zinc from 8.7 to 22.9 microg g(-1).",Pre-concentration procedure for determination of copper and zinc in food samples by sequential multi-element flame atomic absorption spectrometry.,"['Copper', 'Food Analysis', 'Spectrophotometry, Atomic', 'Zinc']","['analysis', 'instrumentation', 'instrumentation', 'analysis']",0.0,cocoa,0.15555555555555556,"['copper', 'PAN', 'octylphenoxypolyethoxyethanol', 'zinc']",1,14
12621877,"The content of polycyclic aromatic hydrocarbons (PAHs) in chosen condiments commercially available was investigated. The concentration of these compounds in infusion of natural coffee, coffee ersatz and cocoa was determined by gas chromatography. Fluoranthene, pyrene and benz(a)anthracene were the PAHs, which the most frequently were present in infusions of unfiltered natural coffee. Assuming the extraction of PAHs into infusion of natural coffee of about several percent, obtained results are in good agreement with the amount of those compounds in coffee beans. These compounds were found at similar concentration in infusions of ersatz coffee. The highest concentrations of investigated PAHs were found in cocoa and their amount was 0.82 mg per litre of beverage. The content of these compounds in cocoa was several times higher then the content of those in infusion of unfiltered natural coffee.","[The occurrence of polycyclic aromatic hydrocarbons (PAHs) in infusion of natural coffee, coffee substitute and cocoa].","['Beverages', 'Cacao', 'Chromatography, Gas', 'Coffee', 'Environmental Pollutants', 'Food Contamination', 'Humans', 'Polycyclic Aromatic Hydrocarbons']","['analysis', 'chemistry', None, 'chemistry', 'adverse effects', 'analysis', None, 'analysis']",,cocoa,0.1590909090909091,"['PAHs', 'polycyclic aromatic hydrocarbons', 'pyrene', 'Fluoranthene']",1,7
15493673,"The development and in-house testing of a method for the detection and quantification of cocoa butter equivalents in cocoa butter and plain chocolate is described. A database consisting of the triacylglycerol profile of 74 genuine cocoa butter and 75 cocoa butter equivalent samples obtained by high-resolution capillary gas liquid chromatography was created, using a certified cocoa butter reference material (IRMM-801) for calibration purposes. Based on these data, a large number of cocoa butter/cocoa butter equivalent mixtures were arithmetically simulated. By subjecting the data set to various statistical tools, reliable models for both detection (univariate regression model) and quantification (multivariate model) were elaborated. Validation data sets consisting of a large number of samples (n = 4050 for detection, n = 1050 for quantification) were used to test the models. Excluding pure illip© fat samples from the data set, the detection limit was determined between 1 and 3% foreign fat in cocoa butter. Recalculated for a chocolate with a fat content of 30%, these figures are equal to 0.3-0.9% cocoa butter equivalent. For quantification, the average error for prediction was estimated to be 1.1% cocoa butter equivalent in cocoa butter, without prior knowledge of the materials used in the blend corresponding to 0.3% in chocolate (fat content 30%). The advantage of the approach is that by using IRMM-801 for calibration, the established mathematical decision rules can be transferred to every testing laboratory.",Detection and quantification of cocoa butter equivalents in cocoa butter and plain chocolate by gas liquid chromatography of triacylglycerols.,"['Cacao', 'Calibration', 'Chromatography, Gas', 'Dietary Fats', 'Triglycerides']","['chemistry', None, None, 'analysis', 'analysis']",,cocoa,0.10810810810810811,"['cocoa butter/cocoa butter', 'cocoa butter equivalents', 'triacylglycerol', 'cocoa butter']",1,8
22186492,"A method for the analysis of serotonin (5-HT) and its precursors, 5-hydroxytryptophan (5-HTP) and l-tryptophan (TP) in chocolate samples by capillary liquid chromatography-mass spectrometry (cLC-MS) has been developed. Optimum chromatographic conditions were established by using a personalized multifactorial experimental design. Finally the cLC separation was achieved through a mixture of acetonitrile and 5mM ammonium formate at pH 4 (3:97, v/v) as mobile phase in gradient elution, setting the injection volume at 10 __L and using pure water as injection solvent for focusing purposes on the head of the capillary column. For extraction of targets in chocolate samples a new, fast and simple procedure based on the use of acidic extraction medium and sonication was developed. Working in selected ion mode (m/z 177 for 5-HT, m/z 205 for l-tryptophan and m/z 221 for 5-HTP) detection limits were between 0.01 and 0.11 __g g(-1) and linearity was in the concentration range of 0.5-25 __g g(-1). Recoveries higher than 76% with RSDs lower than 8% were obtained from spiked samples for all analytes, showing the effectiveness of the proposed method. Serotonin and its precursors were determined in 5 kinds of commonly consumed chocolates with different cocoa contents (70-100%). The highest serotonin content was found in chocolate with a cocoa content of 85% (2.93 __g g(-1)). Regarding l-tryptophan, the highest content of this amino acid (13.27-13.34 __g g(-1)) was found in chocolate samples with the lowest cocoa content (70-85%). 5-Hydroxytryptophan was not detected in any chocolate samples.",Determination of serotonin and its precursors in chocolate samples by capillary liquid chromatography with mass spectrometry detection.,"['5-Hydroxytryptophan', 'Cacao', 'Chromatography, Liquid', 'Limit of Detection', 'Mass Spectrometry', 'Reproducibility of Results', 'Serotonin', 'Tryptophan']","['analysis', 'chemistry', 'methods', None, 'methods', None, 'analysis', 'analysis']",0.0,cocoa,0.23376623376623376,"['l-tryptophan', '5-hydroxytryptophan', 'Serotonin', 'RSDs', 'acetonitrile', '__L', 'cocoa contents', 'serotonin', '5mM ammonium formate', '5-HTP', '5-HT', 'amino acid', '5-Hydroxytryptophan']",1,18
24636559,"Optimization and validation of a multi-mycotoxin method by LC-MS/MS is presented. The method covers the EU-regulated mycotoxins (aflatoxins, fumonisins, ochratoxin A, deoxynivalenol, zearalenone, T-2 and HT-2), as well as nivalenol and 3- and 15-acetyldeoxynivalenol for analysis of cereals, cocoa, oil, spices, infant formula, coffee and nuts. The proposed procedure combines two clean-up strategies: First, a generic preparation suitable for all mycotoxins based on the QuEChERS (for quick, easy, cheap, effective, rugged and safe) protocol. Second, a specific clean-up devoted to aflatoxins and ochratoxin A using immunoaffinity column (IAC) clean-up. Positive identification of mycotoxins in matrix was conducted according to the confirmation criteria defined in EU Commission Decision 2002/657/EC while quantification was performed by isotopic dilution using (13)C-labeled mycotoxins as internal standards. Limits of quantification were at or below the maximum levels set in the EC/1886/2006 document for all mycotoxin/matrix combinations under regulation. In particular, the inclusion of an IAC step allowed achieving LOQs as low as 0.05 and 0.25__g/kg in cereals for aflatoxins and ochratoxin A, respectively. Other performance parameters like linearity [(r)(2)>0.99], recovery [71-118%], precision [(RSDr and RSDiR)<33%], and trueness [78-117%] were all compliant with the analytical requirements stipulated in the CEN/TR/16059 document. Method ruggedness was proved by a verification process conducted by another laboratory. ","Combining the quick, easy, cheap, effective, rugged and safe approach and clean-up by immunoaffinity column for the analysis of 15 mycotoxins by isotope dilution liquid chromatography tandem mass spectrometry.","['Cacao', 'Carbon Isotopes', 'Chromatography, High Pressure Liquid', 'Coffee', 'Humans', 'Indicator Dilution Techniques', 'Infant', 'Infant Food', 'Infant, Newborn', 'Laboratory Proficiency Testing', 'Mycotoxins', 'Quality Control', 'Sensitivity and Specificity', 'Spices', 'Tandem Mass Spectrometry']","['chemistry', None, 'methods', 'chemistry', None, None, None, None, None, None, 'analysis', None, None, 'analysis', 'methods']",0.0,cocoa,0.24691358024691357,"['ochratoxin A', 'IAC', 'aflatoxins', 'mycotoxins', 'nivalenol', 'zearalenone', 'deoxynivalenol', 'T-2', 'HT-2', 'fumonisins', 'LOQs', '15-acetyldeoxynivalenol']",1,20
19426987,"The quantitative parameters and method performance for a normal-phase HPLC separation of flavanols and procyanidins in chocolate and cocoa-containing food products were optimized and assessed. Single laboratory method performance was examined over three months using three separate secondary standards. RSD(r) ranged from 1.9%, 4.5% to 9.0% for cocoa powder, liquor and chocolate samples containing 74.39, 15.47 and 1.87 mg/g flavanols and procyanidins, respectively. Accuracy was determined by comparison to the NIST Standard Reference Material 2384. Inter-lab assessment indicated that variability was quite low for seven different cocoa-containing samples, with a RSD(R) of less than 10% for the range of samples analyzed.",Method performance and multi-laboratory assessment of a normal phase high pressure liquid chromatography-fluorescence detection method for the quantitation of flavanols and procyanidins in cocoa and chocolate containing samples.,"['Antioxidants', 'Cacao', 'Candy', 'Chromatography, High Pressure Liquid', 'Flavonols', 'Fluorescence', 'Food Analysis', 'Proanthocyanidins']","['analysis', 'chemistry', 'analysis', 'instrumentation', 'analysis', None, None, 'analysis']",0.0,cocoa,0.125,"['flavanols', 'procyanidins']",1,4
23692768,"In this research 12 different varieties of Capsicum cultivars belonging to three species (Capsicum chinense, Capsicum annuum, Capsicum frutescens) and of various colour, shape, and dimension have been characterised by their carotenoids and capsaicinoids content. The berries were cultivated in the region Emilia-Romagna, in Northern Italy. The native carotenoid composition was directly investigated by an HPLC-DAD-APCI-MS methodology, for the first time. In total, 52 carotenoids have been identified and considerable variation in carotenoid composition was observed among the various cultivars investigated. Among the cultivars with red colour, some Habanero, Naga morich and Sinpezon showed an high __-carotene content, whereas Serrano, Tabasco and Jalapeno showed an high capsanthin content and the absence of __-carotene. Habanero golden and Scotch Bonnet showed a high lutein, _±-carotene and __-carotene amounts, and Habanero orange was rich in antheraxanthin, capsanthin and zeaxanthin. Cis-cryptocapsin was present in high amount in Habanero chocolate. The qualitative and quantitative determination of the capsaicinoids, alkaloids responsible for the pungency level, has also been estimated by a validated chromatographic procedure (HPLC-DAD) after a preliminary drying step and an opportune extraction procedure. Results have also been expressed in Scoville units. Dry matter and water activity have also been established on the fresh berries. The dried peppers of each variety were then submitted to the evaluation of the total nitrogen content, measured by a Dumas system, permitting to provide information on the protein content that was found to be in the range between 7 and 16%.",Characterization of 12 Capsicum varieties by evaluation of their carotenoid profile and pungency determination.,"['Capsicum', 'Carotenoids', 'Chromatography, High Pressure Liquid', 'Fruit', 'Mass Spectrometry', 'Molecular Structure', 'Odorants', 'Plant Extracts']","['chemistry', 'chemistry', None, 'chemistry', None, None, 'analysis', 'chemistry']",0.0,cocoa,0.19230769230769232,"['zeaxanthin', 'capsaicinoids', 'lutein', 'Cis-cryptocapsin', '__-carotene', '_±-carotene', 'capsanthin', 'nitrogen', 'antheraxanthin', 'carotenoids']",1,15
22953909,"N-Phenylpropenoyl-l-amino acids (NPA) are among the key contributors to the astringent taste of cocoa. Two fast and easy to use methods (CE and UPLC_‰, both with PDA detection) for routine determination of the main NPA were developed. Crude extracts of defatted seeds were analysed by means of capillary electrophoresis leading to separation in less than 30min. Separation by means of UPLC_‰ was much faster (<4min), however, a preceding SPE clean-up abolishes this benefit in time saving. Thus, the CE- and UPLC_‰-methods are comparable concerning time consumption and provide similar results. Analysis of 18 samples of raw and roasted beans from the global cocoa market originated from 12 countries and 4 continents showed a great variability of NPA content (0.7-3.6mg/g) and qualitative composition of different NPA. Anyway, all samples from cocoa beans showed a comparable NPA pattern. N-[3',4'-dihydroxy-(E)-cinnamoyl]-l-aspartic acid was the most abundant metabolite, followed by N-[4'-hydroxy-(E)-cinnamoyl]-l-aspartic acid and N-[3',4'-dihydroxy-(E)-cinnamoyl]-3-hydroxy-l-tyrosine (clovamide). The analysis of other plant organs (flowers, leaves, fruits) revealed an entirely different situation. NPA were detected in all parts of the fruit, with husk and pulp being clearly dominated by clovamide. In flowers and leaves no NPA were detected; 2-O-caffeoyltartaric acid was shown to be the major caffeic acid metabolite in leaves.",Fast determination of N-phenylpropenoyl-l-amino acids (NPA) in cocoa samples from different origins by ultra-performance liquid chromatography and capillary electrophoresis.,"['Amino Acids', 'Cacao', 'Chromatography, High Pressure Liquid', 'Electrophoresis, Capillary', 'Geography', 'Humans', 'Seeds', 'Taste']","['analysis', 'chemistry', 'methods', 'methods', None, None, 'chemistry', None]",1.0,cocoa,0.19230769230769232,"['caffeic acid', 'acid', 'SPE', ""N-[3',4'-dihydroxy-(E)-cinnamoyl]-3-hydroxy-l-tyrosine"", 'NPA', 'acids', 'clovamide']",1,15
1141149,"Rapid confirmation of the presence of aflatoxins B-1 and G-1 in foods is provided by reaction with trifluoroacetic acid at the origin of a thin layer chromatographic plate. The procedure has been used successfully with various nuts, grains, coffee and cocoa beans, and other foods.",Formation of aflatoxin derivatives on thin layer chromatographic plates.,"['Aflatoxins', 'Chromatography, Thin Layer', 'Food Analysis']","['analysis', 'methods', None]",,cocoa,0.11764705882352941,"['trifluoroacetic acid', 'aflatoxins']",1,2
18781757,"N-Acetylglutamate (NAG) and N-acetylaspartate (NAA) are amino acid derivatives with reported activities in a number of biological processes. However, there is no published information on the presence of either substance in foodstuffs. We developed a method for extracting and quantifying NAG and NAA from soybean seeds and maize grain using ultra performance liquid chromatography-electrospray ionization tandem mass spectrometry (UPLC-ESI-MS/MS). The lower limit of quantification for both NAG and NAA was 1 ng/mL. The method was then utilized to quantify NAG and NAA in other foodstuffs (fruits, vegetables, meats, grains, milk, coffee, tea, cocoa, and others). Both NAG and NAA were present in all of the materials analyzed. The highest concentration of NAG was found in cocoa powder. The highest concentration of NAA was found in roasted coffee beans. Both NAG and NAA were found at quantifiable concentrations in all foods tested indicating that these two acetylated amino acids are common components of the human diet.","N-acetylglutamate and N-acetylaspartate in soybeans (Glycine max L.), maize (Zea mays L.), [corrected] and other foodstuffs.","['Aspartic Acid', 'Cacao', 'Chromatography, High Pressure Liquid', 'Coffea', 'Food Analysis', 'Glutamates', 'Seeds', 'Soybeans', 'Spectrometry, Mass, Electrospray Ionization', 'Tandem Mass Spectrometry', 'Zea mays']","['analogs & derivatives', 'chemistry', None, 'chemistry', None, 'analysis', 'chemistry', 'chemistry', None, None, 'chemistry']",1.0,cocoa,0.1864406779661017,"['NAG', 'NAA', 'amino acids', 'amino acid', 'N-acetylaspartate']",1,11
21819158,"Skins from different hazelnut samples were characterized for total polyphenol content, total antioxidant capacity (TAC), and their content in specific polyphenolic compounds. The main polyphenolic subclass, identified and quantified by means of HPLC-MS/MS, comprised monomeric and oligomeric flavan-3-ols, which accounted for more than 95% of total polyphenols. Flavonols and dihydrochalcones were 3.5% while phenolic acids were less than 1% of the total identified phenolics. The TAC values of the skin samples ranged between 0.6 and 2.2 mol of reduced iron/kg of sample, which is about 3 times the TAC of whole walnuts, 7-8 times that of dark chocolate, 10 times that of espresso coffee, and 25 times that of blackberries. By describing the profile of polyphenols present in hazelnut skins, this study provides the basis to further investigate the potential health effects of hazelnut byproduct.",Polyphenolic composition of hazelnut skin.,"['Antioxidants', 'Chromatography, High Pressure Liquid', 'Corylus', 'Flavonoids', 'Polyphenols', 'Seeds', 'Tandem Mass Spectrometry']","['analysis', None, 'chemistry', 'analysis', 'analysis', 'chemistry', None]",0.0,cocoa,0.2894736842105263,"['polyphenols', 'TAC', 'phenolic acids', 'espresso coffee', 'blackberries', 'polyphenol', 'flavan-3-ols', 'Flavonols']",1,11
7430044,"Four duplicate samples of cocoa-containing materials, a practice sample, and standards were submitted to the collaborators for theobromine and caffeine analysis by HPLC. In the method the samples are defatted with petroleum ether, and dried. The fat-free residue is then extracted with water and an aliquot is injected into the chromatograph. Compounds are quantitated by comparison with internal or external standards, either by peak height or peak area. Results for all the analyses showed that few of the values were more than 2 standard deviations from the mean. The method has been adopted as official first action.",High pressure liquid chromatographic determination of theobromine and caffeine in cocoa and chocolate products: collaborative study.,"['Cacao', 'Caffeine', 'Chromatography, High Pressure Liquid', 'Quality Control', 'Theobromine']","['analysis', 'analysis', None, None, 'analysis']",,cocoa,0.10344827586206896,"['petroleum ether', 'theobromine', 'caffeine']",1,3
27795344,"Candida sepsis is a life-threatening condition with increasing prevalence. In this study, direct blood culturing on solid medium using a lysis-centrifugation procedure enabled successful Candida species identification by matrix-assisted laser desorption-ionization time of flight mass spectrometry on average 3.8 h (Sabouraud agar) or 7.4 h (chocolate agar) before the positivity signal for control samples in Bactec mycosis-IC/F or Bactec Plus aerobic/F bottles, respectively. Direct culturing on solid medium accelerated candidemia diagnostics compared to that with automated broth-based systems.",Rapid Detection and Identification of Candidemia by Direct Blood Culturing on Solid Medium by Use of Lysis-Centrifugation Method Combined with Matrix-Assisted Laser Desorption Ionization-Time of Flight Mass Spectrometry (MALDI-TOF MS).,"['Blood Culture', 'Candida', 'Candidemia', 'Centrifugation', 'Culture Media', 'Humans', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization', 'Time Factors']","['methods', 'chemistry', 'diagnosis', 'methods', 'chemistry', None, 'methods', None]",0.0,cocoa,0.0,[],1,0
23041474,"This study determined exposure of pregnant women to ochratoxin A (OTA). Forty samples of first-void urine samples from Croatian women in the third trimester of pregnancy were analyzed for OTA and its major metabolite ochratoxin alpha (OT_±). The subjects filled a short food frequency questionnaire (FFQ). Analysis was performed by HPLC-FLD following liquid-liquid extraction. All samples were subjected in parallel to enzymatic treatment (__-glucuronidase/aryl sulfatase) to release OTA and OT_± from the conjugates. The median urinary levels of OTA and OT_± before treatment were 0.02 (range: nd-1.07) ng/mL and 0.16 (nd-1.86) ng/mL; the concentrations after enzyme hydrolysis were 0.02 (nd-1.11) ng/mL and 1.18 (0.11-7.57) ng/mL. While OT_± levels increased significantly following enzymatic treatment, evidence for OTA conjugation was weak. The ratio of urinary OT_± medians after and before hydrolysis was 1.5 times higher than previously reported for nonpregnant female subjects, possibly indicating upregulated metabolism and/or elimination of the mycotoxin and metabolites in pregnancy. The mean daily dietary OTA intake calculated from FFQs (1.08_±0.57 ng/kg body weight) was well below the provisional tolerable daily intake and the greatest contributors to intake were cereal products, fruit juices, chocolate and coffee.",Urinary ochratoxin A and ochratoxin alpha in pregnant women.,"['Adult', 'Animals', 'Beverages', 'Cacao', 'Chromatography, High Pressure Liquid', 'Coffee', 'Creatinine', 'Diet', 'Edible Grain', 'Female', 'Food Contamination', 'Food Handling', 'Food Microbiology', 'Fruit', 'Humans', 'Meat Products', 'Ochratoxins', 'Pregnancy', 'Surveys and Questionnaires', 'Swine', 'Vitis', 'Wine']","[None, None, 'analysis', 'chemistry', None, 'chemistry', 'urine', None, 'chemistry', None, 'analysis', None, None, 'chemistry', None, None, 'urine', None, None, None, 'chemistry', 'analysis']",0.0,cocoa,0.1388888888888889,"['ochratoxin A', 'OTA', 'mycotoxin', 'ochratoxin alpha (OT_±', '__-glucuronidase/aryl sulfatase']",1,10
1830779,"In order to detect the presence of aflatoxin B1 (AFB1), the use of the enzyme-linked immunosorbent assay (ELISA) and recovery test was evaluated. The detection limit of ELISA for AFB1 was 1 pg/assay and the recovery from maize spiked with AFB1 exceeded 80%. AFB1 was detected by ELISA in seven out of twelve samples of imported food products including peanut, almond, red pepper, cocoa bean, black pepper, buckwheat, walnut, adlay, soybean, popcorn, and pistachio nut, and by high performance liquid chromatography (HPLC) in four of the samples. However, the content of AFB1 in these samples was less than 10 ng/g of the minimum value authorized by the Japanese sanitation law. These results demonstrate that ELISA is more sensitive than HPLC and imported food products are broadly contaminated with AFB1.",Detection of aflatoxin B1 in imported food products into Japan by enzyme-linked immunosorbent assay and high performance liquid chromatography.,"['Aflatoxin B1', 'Aflatoxins', 'Carcinogens', 'Chromatography, High Pressure Liquid', 'Enzyme-Linked Immunosorbent Assay', 'Food Contamination', 'Predictive Value of Tests']","[None, 'analysis', 'analysis', None, None, 'analysis', None]",,cocoa,0.02040816326530612,['aflatoxin B1'],1,1
27176001,"Vanillin (VA), vanillic acid (VAI) and syringaldehyde (SIA) are important food additives as flavor enhancers. The current study for the first time is devote to the application of partial least square (PLS-1), partial robust M-regression (PRM) and feed forward neural networks (FFNNs) as linear and nonlinear chemometric methods for the simultaneous detection of binary and ternary mixtures of VA, VAI and SIA using data extracted directly from UV-spectra with overlapped peaks of individual analytes. Under the optimum experimental conditions, for each compound a linear calibration was obtained in the concentration range of 0.61-20.99 [LOD=0.12], 0.67-23.19 [LOD=0.13] and 0.73-25.12 [LOD=0.15] __gmL(-1) for VA, VAI and SIA, respectively. Four calibration sets of standard samples were designed by combination of a full and fractional factorial designs with the use of the seven and three levels for each factor for binary and ternary mixtures, respectively. The results of this study reveal that both the methods of PLS-1 and PRM are similar in terms of predict ability each binary mixtures. The resolution of ternary mixture has been accomplished by FFNNs. Multivariate curve resolution-alternating least squares (MCR-ALS) was applied for the description of spectra from the acid-base titration systems each individual compound, i.e. the resolution of the complex overlapping spectra as well as to interpret the extracted spectral and concentration profiles of any pure chemical species identified. Evolving factor analysis (EFA) and singular value decomposition (SVD) were used to distinguish the number of chemical species. Subsequently, their corresponding dissociation constants were derived. Finally, FFNNs has been used to detection active compounds in real and spiked water samples.",Investigating the discrimination potential of linear and nonlinear spectral multivariate calibrations for analysis of phenolic compounds in their binary and ternary mixtures and calculation pKa values.,"['Benzaldehydes', 'Calibration', 'Chocolate', 'Flavoring Agents', 'Food Analysis', 'Least-Squares Analysis', 'Multivariate Analysis', 'Neural Networks (Computer)', 'Phenols', 'Spectrophotometry', 'Vanillic Acid', 'Water']","['analysis', None, 'analysis', 'analysis', 'methods', None, None, None, 'analysis', 'methods', 'analysis', 'analysis']",0.0,cocoa,0.1797752808988764,"['LOD=0.15', 'PRM', 'VAI', 'SIA', 'syringaldehyde', 'Vanillin', 'vanillic acid', 'FFNNs', 'PLS-1']",1,16
28415017,"An accelerated solvent extraction (ASE) procedure for use with gas chromatography-mass spectrometry (GC-MS) was optimized for the determination of eight polycyclic aromatic hydrocarbons (PAHs) in cocoa beans. Plackett-Burman and rotatable central composite design (RCCD) indicated that three variables affected the recoveries of PAHs during the extraction and purification steps: agitation time in the second liquid-liquid partition, weight of silica gel in the column, and volume of hexane for PAH elution from the column. After obtaining the optimal conditions, a single laboratory method validation was performed. Linearity was demonstrated for benzo[a]pyrene in the concentration range from 0.5 to 8.0mgkg",Accelerated solvent extraction method for the quantification of polycyclic aromatic hydrocarbons in cocoa beans by gas chromatography-mass spectrometry.,"['Cacao', 'Environmental Pollutants', 'Food Contamination', 'Gas Chromatography-Mass Spectrometry', 'Limit of Detection', 'Polycyclic Aromatic Hydrocarbons', 'Seeds']","['chemistry', 'analysis', 'analysis', 'methods', None, 'analysis', 'chemistry']",0.0,cocoa,0.2,"['PAHs', 'polycyclic aromatic hydrocarbons', 'benzo[a]pyrene', 'hexane', 'silica', 'PAH']",1,7
27484307,"The isotopic profile (__(13) C, __(15) N, __(18) O, __(2) H, __(34) S) was used to characterise a wide selection of cocoa beans from different renowned production areas (Africa, Asia, Central and South America). The factors most influencing the isotopic signatures of cocoa beans were climate and altitude for __(13) C and the isotopic composition of precipitation water for __(18) O and __(2) H, whereas __(15) N and __(34) S were primarily affected by geology and fertilisation practises. Multi-isotopic analysis was shown to be sufficiently effective in determining the geographical origin of cocoa beans, and combining it with Canonical Discriminant Analysis led to more than 80% of samples being correctly reclassified. Copyright _© 2016 John Wiley & Sons, Ltd. ",Stable isotope composition of cocoa beans of different geographical origin.,"['Cacao', 'Carbon Isotopes', 'Climate', 'Geography', 'Mass Spectrometry', 'Oxygen Isotopes', 'Seeds']","['chemistry', 'analysis', None, None, None, 'analysis', 'chemistry']",,cocoa,0.0,[],1,0
22970585,"An international collaborative study was conducted on an HPLC method with fluorescent detection (FLD) for the determination of flavanols and procyanidins in materials containing chocolate and cocoa. The sum of the oligomeric fractions with degree of polymerization 1-10 was the determined content value. Sample materials included dark and milk chocolates, cocoa powder, cocoa liquors, and cocoa extracts. The content ranged from approximately 2 to 500 mg/g (defatted basis). Thirteen laboratories representing commercial, industrial, and academic institutions in six countries participated in the study. Fourteen samples were sent as blind duplicates to the collaborators. Results from 12 laboratories yielded repeatability relative standard deviation (RSDr) values that were below 10% for all materials analyzed, ranging from 4.17 to 9.61%. The reproducibility relative standard deviation (RSD(R)) values ranged from 5.03 to 12.9% for samples containing 8.07 to 484.7 mg/g. In one sample containing a low content of flavanols and procyanidins (approximately 2 mg/g), the RSD(R) was 17.68%. Based on these results, the method is recommended for Official First Action for the determination of flavanols and procyanidins in chocolate, cocoa liquors, powder(s), and cocoa extracts.","Determination of flavanol and procyanidin (by degree of polymerization 1-10) content of chocolate, cocoa liquors, powder(s), and cocoa flavanol extracts by normal phase high-performance liquid chromatography: collaborative study.","['Biflavonoids', 'Cacao', 'Catechin', 'Chemistry Techniques, Analytical', 'Chromatography, High Pressure Liquid', 'Flavanones', 'Food Analysis', 'International Cooperation', 'Laboratories', 'Lipids', 'Models, Chemical', 'Polymerization', 'Powders', 'Proanthocyanidins', 'Reference Standards', 'Reproducibility of Results']","['analysis', 'metabolism', 'analysis', 'methods', 'methods', 'analysis', 'methods', None, None, 'analysis', None, None, 'analysis', 'analysis', None, None]",,cocoa,0.11290322580645161,"['flavanols', 'FLD', 'procyanidins']",1,7
26768597,"This study investigated the effects of storage and temperature duration on the stability of acrylamide (AA) and 5-hydroxymethylfurfural (HMF) in selected foods with long shelf-life. Products were analysed fresh and stored at temperatures of 4 and 25 _C after 6 and 12 months (with the exception of soft bread samples, which were analysed after 15 and 30 days). The AA and HMF contents were determined with RP-HPLC coupled to a diode array detector (DAD). AA and HMF were not stable in many processed plant products with a long shelf-life. The highest AA reduction and the largest increase in HMF content were observed in the samples stored at a higher temperature (25 _C) for 12 months. It was found that an initial water activity of 0.4 is favourable to HMF formation and that AA reduction may be considerably greater in stored products with a low initial water activity. The kind of product and its composition may also have a significant impact on acrylamide content in stored food. In the final period of storage at 25 _C, acrylamide content in 100% cocoa powder, instant baby foods, 20% cocoa powder and instant coffee was 51, 39, 35 and 33% lower than in products before storage, respectively. It was observed that a large quantity of _µ-NH2 and SH groups of amino acids in some products can be assumed as the reason for the significant AA degradation.",Effect of Storage on Acrylamide and 5-hydroxymethylfurfural Contents in Selected Processed Plant Products with Long Shelf-life.,"['Acrylamide', 'Bread', 'Cacao', 'Chromatography, High Pressure Liquid', 'Coffee', 'Food Storage', 'Furaldehyde', 'Powders', 'Temperature', 'Water']","['analysis', 'analysis', 'chemistry', None, 'chemistry', None, 'analogs & derivatives', 'chemistry', None, 'analysis']",1.0,cocoa,0.16883116883116883,"['AA', 'amino acids', 'DAD', '5-hydroxymethylfurfural', 'acrylamide', 'HMF']",1,13
16517524,"Isotope dilution liquid chromatography coupled with electrospray ionization tandem mass spectrometry (LC-MS/MS) was applied to the quantification of acrylamide in chocolate matrixes (dark chocolate, milk chocolate, chocolate with nuts, chocolate with almonds, and chocolate with wheat best element). The method included defatting with petroleum ether, extracting with aqueous solution of 2 mol l(-1) sodium chloride and clean-up by solid-phase (SPE) with OASIS HLB 6 cm3 cartridges. Acrylamide was detected with an Atlantis dC18 5 microm 210 x 1.5 mm column using 10% methanol/0.1% formic acid in water as the mobile phase. The analytical method was in-house validated and good results were obtained with respect to repeatability (RSD < 3.5%) and recovery (86-93%), which fulfilled the requirements defined by European Union legislation. The acrylamide levels in chocolate were 23-537 microg kg(-1). Therefore, the method was successfully used for the quantitative analysis of acrlyamide in various chocolate products.",Sensitive isotope dilution liquid chromatography/electrospray ionization tandem mass spectrometry method for the determination of acrylamide in chocolate.,"['Acrylamide', 'Cacao', 'Calibration', 'Candy', 'Chromatography, Liquid', 'Food Contamination', 'Indicator Dilution Techniques', 'Nuts', 'Prunus', 'Reproducibility of Results', 'Spectrometry, Mass, Electrospray Ionization', 'Triticum']","['analysis', 'chemistry', None, 'analysis', 'methods', 'analysis', None, 'chemistry', None, None, 'methods', None]",,cocoa,0.17647058823529413,"['petroleum ether', 'acrlyamide', 'formic acid', 'OASIS HLB', 'SPE', 'Acrylamide', 'acrylamide', 'sodium chloride']",1,9
24786625,"Sorbic acid (SA) and benzoic acid (BA) were determined in yoghurt, tomato and pepper paste, fruit juices, chocolates, soups and chips in Turkey by using high-pressure liquid chromatography (HPLC). Levels were compared with Turkish Food Codex limits. SA was detected only in 2 of 21 yoghurt samples, contrary to BA, which was found in all yoghurt samples but one, ranging from 10.5 to 159.9___mg/kg. Both SA and BA were detected also in 3 and 6 of 23 paste samples in a range of 18.1-526.4 and 21.7-1933.5___mg/kg, respectively. Only 1 of 23 fruit juices contained BA. SA was not detected in any chips, fruit juice, soup, or chocolate sample. Although 16.51% of the samples was not compliant with the Turkish Food Codex limits, estimated daily intake of BA or SA was below the acceptable daily intake. ",Sorbic and benzoic acid in non-preservative-added food products in Turkey.,"['Benzoic Acid', 'Beverages', 'Cacao', 'Capsicum', 'Chromatography, High Pressure Liquid', 'Food Analysis', 'Food Preservation', 'Food Preservatives', 'Fruit', 'Legislation, Food', 'Lycopersicon esculentum', 'Maximum Allowable Concentration', 'Sorbic Acid', 'Turkey', 'Yogurt']","['analysis', 'analysis', 'chemistry', 'chemistry', None, None, 'legislation & jurisprudence', 'analysis', None, None, 'chemistry', None, 'analysis', None, 'analysis']",0.0,cocoa,0.15217391304347827,"['benzoic acid', 'Sorbic acid', 'SA']",1,7
2808584,"An interface has been developed which permits the on-line coupling of size-exclusion chromatography in tetrahydrofuran with aqueous reversed-phase high-performance liquid chromatography. The interface isolates the required size exclusion chromatography fraction and dilutes it with water to ensure reconcentration of analytes on the reversed-phase column prior to gradient elution. Operational parameters and the influence of analyte polarity have been examined in detail. A predictive system is presented for determining the applicability of the system to any analyte, based on solute retention times on an ODS phase eluted with a methanol-water gradient. The method is illustrated with examples of direct analyses of crude lipid extracts from a snack product for 2,6-di-tert.-4-methylphenol and from chocolate for dibutyl phthalate. Detection limits of ca. 0.5 mg/kg have been achieved.",Non-aqueous size-exclusion chromatography coupled on-line to reversed-phase high-performance liquid chromatography. Interface development and applications to the analysis of low-molecular-weight contaminants and additives in foods.,"['Chromatography, Gel', 'Chromatography, High Pressure Liquid', 'Food Additives', 'Food Contamination', 'Molecular Weight', 'Spectrophotometry, Ultraviolet']","['methods', None, 'analysis', 'analysis', None, None]",,cocoa,0.1111111111111111,"['ODS', '2,6-di-tert.-4-methylphenol', 'dibutyl phthalate', 'aqueous']",1,4
24830163,"Single-laboratory validation data previously published in the Journal of AOAC INTERNATIONAL 95(2), 500-507 (2012) was reviewed by the Stakeholder Panel on Strategic Food Analytical Methods Expert Review Panel (ERP) at the AOAC INTERNATIONAL Mid-Year Meeting held on March 12-14, 2013 in Rockville, MD. The ERP determined the data presented met the established standard method performance requirement and approved the method as AOAC Official First Action on March 14, 2013. Using high-performance liquid chromatography (HPLC), flavanol enantiomers, (+)- and (-)-epicatechin and (+)- and (-)-catechin, are eluted isocratically using ammonium acetate and methanol mobile phase. The mobile phase is applied to a modified beta-cyclodextrin chiral stationary phase and the flavanols detected by fluorescence. Using several cocoa-based matrices, recoveries for the four enantiomers ranged from 82.2-102.1% at a 50% spike level, and 80.4-101.1% at a 100% spike level. Precision was determined to be 1.46-3.22% for (-)-epicatechin, 3.66-6.90% for (+)-catechin, 1.69-6.89% for (-)-catechin. (+)-Epicatechin was not detected in any of the samples used for this work, so precision could not be determined for this molecule.",Method for the determination of catechin and epicatechin enantiomers in cocoa-based ingredients and products by high-performance liquid chromatography: First Action 2013.04.,"['Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Food Analysis', 'Reproducibility of Results', 'Sensitivity and Specificity', 'Stereoisomerism']","['chemistry', 'chemistry', 'methods', 'methods', None, None, None]",,cocoa,0.15384615384615385,"['ammonium acetate', '(+)-catechin', 'flavanol enantiomers', 'methanol', 'beta-cyclodextrin', 'flavanols', '(-)-epicatechin']",1,8
15764339,"A validated high-performance liquid chromatography (HPLC) method with fluorescence detection for the quantitative analysis of ochratoxin A (OTA) in cocoa beans is described. OTA was extracted with methanol-3% sodium hydrogen carbonate solution and then purified with immunoaffinity columns before its analysis by HPLC. The validation of the analytical method was based on the following criteria: selectivity, linearity, limit of detection and quantification, precision (within- and between-day variability) and recovery, robustness and uncertainty. Detection and quantification limits were 0.04 and 0.1 mug kg(-1), respectively. Recovery was 88.9% (relative standard deviation = 4.0%). This method was successfully applied to the measurement of 46 cocoa bean samples of different origins. A total of 63% of cocoa bean samples was contaminated with a level greater than the limit of detection. The means and medians obtained for cocoa bean were 1.71 and 1.12 mug kg(-1), respectively. Surveillance controls should be set up in both crops and factories involved in transformation processes to avoid this mycotoxin in final products.",Validation of a high-performance liquid chromatography analytical method for ochratoxin A quantification in cocoa beans.,"['Cacao', 'Chromatography, High Pressure Liquid', 'Food Analysis', 'Food Contamination', 'Humans', 'Mycotoxins', 'Ochratoxins', 'Reproducibility of Results']","['chemistry', 'methods', 'methods', 'analysis', None, 'analysis', 'analysis', None]",,cocoa,0.07407407407407407,"['ochratoxin A', 'OTA', 'sodium hydrogen carbonate']",1,4
12537419,"Catechins are polyphenolic plant compounds (flavonoids) that may offer significant health benefits to humans. These benefits stem largely from their anticarcinogenic, antioxidant, and antimutagenic properties. Recent epidemiological studies suggest that the consumption of flavonoid-containing foods is associated with reduced risk of cardiovascular disease. Chocolate is a natural cocoa bean-based product that reportedly contains high levels of monomeric, oligomeric, and polymeric catechins. We have applied solid-liquid extraction and liquid chromatography coupled with atmospheric pressure chemical ionization-mass spectrometry to the identification and determination of the predominant monomeric catechins, (+)-catechin and (-)-epicatechin, in a baking chocolate Standard Reference Material (NIST Standard Reference Material 2384). (+)-Catechin and (-)-epicatechin are detected and quantified in chocolate extracts on the basis of selected-ion monitoring of their protonated [M + H](+) molecular ions. Tryptophan methyl ester is used as an internal standard. The developed method has the capacity to accurately quantify as little as 0.1 microg/mL (0.01 mg of catechin/g of chocolate) of either catechin in chocolate extracts, and the method has additionally been used to certify (+)-catechin and (-)-epicatechin levels in the baking chocolate Standard Reference Material. This is the first reported use of liquid chromatography/mass spectrometry for the quantitative determination of monomeric catechins in chocolate and the only report certifying monomeric catechin levels in a food-based Standard Reference Material.",Quantification of the predominant monomeric catechins in baking chocolate standard reference material by LC/APCI-MS.,"['Atmospheric Pressure', 'Cacao', 'Candy', 'Catechin', 'Chromatography, Liquid', 'Mass Spectrometry', 'Reference Standards']","[None, 'chemistry', 'analysis', 'analysis', 'methods', 'methods', None]",0.0,cocoa,0.23529411764705882,"['catechin/g of chocolate', 'Catechins', 'flavonoids', '(+)-Catechin', 'catechin', '(+)-catechin', 'polyphenolic plant compounds', 'Tryptophan methyl ester', 'catechins', '(-)-epicatechin']",1,16
24962135,"Chinese mitten crab (Eriocheir sinensis) from Yangcheng Lake in Jiangsu Province is a popular species due to its unique pleasant aroma and intensive umami taste. In this study, odorants in steamed male E. sinensis were investigated using the headspace-monolithic material sorptive extraction technique coupled with gas chromatography-mass spectrometry-olfactometry (GC-MS-O). A total of 74 volatile compounds were found, and the results of the GC-MS-O analysis, combined with odor activity values, showed that trimethylamine (fishy, ammonia-like odor), (Z)-4-heptenal (mushroom-like odor), and benzaldehyde (paint-like odor) were the important odorants (IOs) in all 4 of the edible parts of steamed male E. sinensis. Furthermore, heptanal (mushroom-like odor) was common to the abdomen, claw, and leg meat but was not found as the IO in the gonad. The abdomen meat also contained 3-methylbutanal (vegetable-like, grassy odor), while 2 additional IOs were found in claw meat (2-methylbutanal, which has a mushroom odor and 3-ethyl-2,5-dimethylpyrazine, which has a chocolate-like, musty odor). Another IO (2-nonanone, chocolate-like odor) was also found in leg meat, while (E)-2-nonenal (green, fruity odor) was the IO found exclusively in the gonad. ",Characterization of important odorants in steamed male Chinese mitten crab (Eriocheir sinensis) using gas chromatography-mass spectrometry-olfactometry.,"['Animals', 'Brachyura', 'Cooking', 'Gas Chromatography-Mass Spectrometry', 'Male', 'Odorants', 'Smell', 'Taste', 'Volatile Organic Compounds']","[None, 'chemistry', None, 'methods', None, 'analysis', None, None, 'chemistry']",0.0,cocoa,0.140625,"['3-methylbutanal', 'benzaldehyde', 'trimethylamine', '2-nonanone', 'steamed', 'IOs', '3-ethyl-2,5-dimethylpyrazine', 'green, fruity odor']",1,9
22849827,"In this work multivariate experiments were conducted to optimize the operating conditions for inductively coupled plasma optical emission spectrometry (ICP OES) for multielemental determinations in chocolate drink powder. The operating conditions were investigated using a 2(3) central composite design, where the variables studied were radio frequency power, nebulization flow rate, and auxiliary argon flow rate. The effects of these parameters on plasma robustness and on signal to background ratio (SBR) were considered in parallel, allowing the evaluation of robustness and detectability using few and fast experiments to select the best conditions for the determination of the analytes. In this case, the proposed experiments were applied to the optimization of a method aimed at the determination of Al, Ba, Cd, Co, Cr, Cu, Fe, Mg, Mn, Mo, Ni, P, Pb, V, and Zn in chocolate drink powder. The compromise conditions that allowed obtaining a robust and sensitive analytical method were radio frequency power of 1200 W, nebulization flow rate of 0.6 L/min, and auxiliary argon flow rate of 0.3 L/min. Using these conditions, recoveries between 95 and 105% and relative standard deviations lower than 5% were obtained for the majority of the analytes. The proposed method was successfully applied to the analysis of 15 samples of chocolate drink powder. The highest concentrations of metallic species were found in diet and light products.",Multielemental determinations in chocolate drink powder using multivariate optimization and ICP OES.,"['Beverages', 'Cacao', 'Food Analysis', 'Food Handling', 'Multivariate Analysis', 'Powders', 'Spectrophotometry', 'Trace Elements']","['analysis', 'chemistry', 'methods', None, None, 'analysis', 'methods', 'analysis']",0.0,cocoa,0.08108108108108109,"['Fe', 'Cd', 'Ni', 'Mg', 'Cu', 'Zn']",1,6
24401377,"The concentrations of eight trace elements: lead (Pb), cadmium (Cd), chromium (Cr), manganese (Mn), cobalt (Co), arsenic (As), bismuth (Bi) and molybdenum (Mo), in chocolate, cocoa beans and products were studied by ICPMS. The study examined chocolate samples from different brands and countries with different concentrations of cocoa solids from each brand. The samples were digested and filtered to remove lipids and indium was used as an internal standard to correct matrix effects. A linear correlation was found between the level of several trace elements in chocolate and the cocoa solids content. Significant levels of Bi and As were found in the cocoa bean shells but not in the cocoa bean and chocolate. This may be attributed to environmental contamination. The presence of other elements was attributed to the manufacturing processes of cocoa and chocolate products. Children, who are big consumers of chocolates, may be at risk of exceeding the daily limit of lead; whereas one 10 g cube of dark chocolate may contain as much as 20% of the daily lead oral limit. Moreover chocolate may not be the only source of lead in their nutrition. For adults there is almost no risk of exceeding daily limits for trace metals ingestion because their digestive absorption of metals is very poor.",Trace elements in cocoa solids and chocolate: an ICPMS study.,"['Cacao', 'Mass Spectrometry', 'Reference Standards', 'Trace Elements']","['chemistry', 'methods', None, 'analysis']",1.0,cocoa,0.2077922077922078,"['molybdenum', 'Cd', 'cocoa', 'arsenic', 'manganese', 'Bi', 'Mo', 'chocolates', 'Cr', 'cobalt', 'chromium', 'cocoa solids', 'indium', 'cadmium', 'bismuth']",1,16
14760852,"Multidimensional analysis of denatured milk proteins is reported using high-performance liquid chromatography (HPLC) combined with dynamic surface tension detection (DSTD). A hydrophobic interaction chromatography (HIC) column (a TSK-Gel Phenyl-5PW column, TosoBiosep), in the presence of 3.0 M guanidine hydrochloride (GdmHCl) as denaturing agent is employed as the mobile phase. Dynamic surface tension is measured through the differential pressure across the liquid-air interface of repeatedly growing and detaching drops. Continuous surface tension measurement throughout the entire drop growth (50 ms to 4 s) is achieved, for each eluting drop of 4 s length, providing insight into both the kinetic and thermodynamic behavior of molecular orientation processes at the liquid-air interface. An automated calibration procedure and data analysis method is applied with the DSTD system, which allows two unique solvents to be used, the HIC mobile phase for the sample and a second solvent (water for example) for the standard, permitting real-time dynamic surface tension data to be obtained. Three-dimensional data is obtained, with surface tension as a function of drop time first converted to surface pressure, which is plotted as a function of the chromatographic elution time axis. Experiments were initially performed using flow injection analysis (FIA) with the DSTD system for investigating commercial single standard milk proteins (alpha-lactalbumin, beta-lactoglobulin, alpha-, beta-, kappa-casein and a casein mixture) denatured by GdmHCl. These FIA-DSTD experiments allowed the separation and detection conditions to be optimized for the HIC-DSTD experiments. Thus, the HIC-DSTD system has been optimized and successfully applied to the selective analysis of surface-active casein fractions (alpha s1- and beta-casein) in a commercial casein mixture, raw milk samples (cow's, ewe's and goat's milk) and other diary products (yogurt, stracchino, mozzarella, parmesan cheese and chocolate cream). The different samples were readily distinguished based upon the selectivity provided by the HIC-DSTD method. The selectivity advantage of using DSTD relative to absorbance detection is also demonstrated.",Multidimensional analysis of denatured milk proteins by hydrophobic interaction chromatography coupled to a dynamic surface tension detector.,"['Calibration', 'Chromatography, Liquid', 'Guanidine', 'Milk Proteins', 'Protein Denaturation', 'Surface Tension']","[None, 'methods', 'chemistry', 'chemistry', None, None]",0.0,cocoa,0.06382978723404255,"['3.0 M guanidine hydrochloride', 'DSTD', 'FIA', 'GdmHCl']",1,6
16637672,"The determination of the occurrence and level of cocoa shells in cocoa products and chocolate is an important analytical issue. The recent European Union directive on cocoa and chocolate products (2000/36/EC) has not retained the former limit of a maximum amount of 5% of cocoa shells in cocoa nibs (based on fat-free dry matter), previously authorized for the elaboration of cocoa products such as cocoa mass. In the present study, we report a reliable gas-liquid chromatography procedure suitable for the determination of the occurrence of cocoa shells in cocoa products by detection of fatty acid tryptamides (FATs). The precision of the method was evaluated by analyzing nine different samples (cocoa liquors with different ranges of shells) six times (replicate repeatability). The variations of the robust coefficient of variation of the repeatability demonstrated that FAT(C22), FAT(C24), and total FATs are good markers for the detection of shells in cocoa products. The trueness of the method was evaluated by determining the FAT content in two spiked matrices (cocoa liquors and cocoa shells) at different levels (from 1 to 50 mg/100 g). A good relation was found between the results obtained and the spiking (recovery varied between 90 and 130%), and the linearity range was established between 1 and 50 mg/100 g in cocoa products. For total FAT contents of cocoa liquor containing 5% shells, the measurement uncertainty allows us to conclude that FAT is equal to 4.01 +/- 0.8 mg/100 g. This validated method is perfectly suitable to determine shell contents in cocoa products using FAT(C22), FAT(C24), and total FATs as markers. The results also confirmed that cocoa shells contain FAT(C24) and FAT(C22) in a constant ratio of nearly 2:1.",Development of a gas-liquid chromatographic method for the analysis of fatty acid tryptamides in cocoa products.,"['Cacao', 'Chromatography, Gas', 'Fatty Acids', 'Niacinamide', 'Reproducibility of Results', 'Seeds', 'Sensitivity and Specificity', 'Tryptamines']","['chemistry', 'methods', 'analysis', 'analogs & derivatives', None, 'chemistry', None, 'analysis']",1.0,cocoa,0.04878048780487805,"['FAT contents', 'fatty acid tryptamides', 'cocoa liquor', 'FAT']",1,4
12480305,"Indian-made bidi cigarettes sold in the United States are available in a variety of exotic (e.g. clove, mango) and candy-like (e.g. chocolate, raspberry) flavors. Because certain tobacco flavorings contain alkenylbenzenes and other toxic or carcinogenic chemicals, we measured the concentration of flavor-related compounds in bidi tobacco using a previously developed method. Twenty-three brands of bidis were sampled using automated headspace solid-phase microextraction and subsequently analyzed for 12 compounds by gas chromatography-mass spectrometry. Two alkenylbenzene compounds, trans-anethole and eugenol, were found in greater than 90% of the brands analyzed. Methyleugenol, pulegone and estragole were each detected in 30% or more of the brands, whereas safrole and elemicin were not detected in any of the brands. The flavor-related compounds with the highest tobacco concentrations were eugenol (12,000 microg/g tobacco) and trans-anethole (2200 microg/g tobacco). The highest eugenol and trans-anethole concentrations found in bidi tobacco were about 70,000 and 7500 times greater, respectively, than the highest levels previously found in US cigarette brands. Measurement of these compounds is crucial to evaluation of potential risks associated with inhaling highly concentrated flavor-related compounds from bidis or other tobacco products.","Concentrations of nine alkenylbenzenes, coumarin, piperonal and pulegone in Indian bidi cigarette tobacco.","['Anisoles', 'Benzaldehydes', 'Benzodioxoles', 'Coumarins', 'Eugenol', 'Flavoring Agents', 'Gas Chromatography-Mass Spectrometry', 'India', 'Monoterpenes', 'Tobacco']","['analysis', 'analysis', None, 'analysis', 'analysis', 'analysis', None, None, 'analysis', 'chemistry']",0.0,cocoa,0.203125,"['safrole', 'headspace', 'trans-anethole', 'pulegone', 'estragole', 'eugenol', 'clove', 'elemicin', 'Methyleugenol']",1,13
25833003,"Cocoa contains many compounds such as biogenic amines (BAs), known to influence consumer health. Spermidine, spermidine, putrescine, histamine, tyramine, __-phenylethylamine, cadaverine and serotonine have been found in several cocoa-based products using HPLC with UV detection after derivatisation with dansyl-chloride. Once optimised in terms of linearity, percentage recovery, LOD, LOQ and repeatability, this method was applied to real samples. Total concentrations of BAs ranged from 5.7 to 79.0 _µg g(-)(1) with wide variations depending on the type of sample. BAs present in all samples were in decreasing order: histamine (1.9-38.1 _µg g(-)(1)) and tyramine (1.7-31.7 _µg g(-)(1)), while putrescine (0.9-32.7 _µg g(-)(1)), spermidine (1.0-9.7 _µg g(-)(1)) and spermidine (0.6-9.3 _µg g(-)(1)) were present in most of the samples. Cadaverine, serotonine and __-phenylethylamine were present in a few samples at much lower concentrations. Organic samples always contained much lower levels of BAs than their conventional counterparts and, generally speaking, the highest amounts of BAs were found in the most processed products.",Determination of biogenic amine profiles in conventional and organic cocoa-based products.,"['Biogenic Amines', 'Cacao', 'Chromatography, High Pressure Liquid', 'Food Analysis', 'Organic Agriculture', 'Reproducibility of Results', 'Sensitivity and Specificity']","['chemistry', 'chemistry', None, 'methods', None, None, None]",1.0,cocoa,0.3157894736842105,"['tyramine', 'Cadaverine', '__', 'cadaverine', '1.0-9.7', 'serotonine', 'amines', 'histamine', 'spermidine', 'Spermidine', 'putrescine', '__-phenylethylamine']",1,18
15053518,"A new European legislation (2000/36/CE) has allowed the use of vegetable fats other than cocoa butter (CB) in chocolate up to a maximum value of 5% in the product. The vegetable fats used in chocolate are designated as cocoa butter replacements and are called cocoa butter equivalents (CBE). The feasibility of CBE quantification in chocolate using triacylglycerol (TAG) profiles was conducted by analyzing 55 samples of CBs and 31 samples of CBEs using a liquid chromatograph equipped with an evaporative light scattering detector (HPLC-ELSD). Statistical evaluation of the data obtained has been performed, and a simulation study has been carried out to assess the viability to use this method for quantifying the amount of CBE in real mixtures and in chocolates. The TAGs POP, POS, PLS, and the ratios POP/PLS, POS/PLP (P, palmityl; O, oleyl; S, stearyl; L, linoleyl) are particularly significant to discriminate between CB and CBE. Analysis of 50 mixtures between 5 different CBEs and 10 different CBs at 2 different concentration levels is presented. The data are visualized and interpreted. A mathematical model has been developed to assess the amount of CBE in real mixtures. This predictive model has been successfully applied and validated on dark chocolates including authorized CBE. The results are affected by +/-2.1% absolute average error. In particular, estimations between 10 and 20% of CBE show a very good match. On the other hand, values equal to or smaller than 5% show a larger prediction error (detection limit of the method). For the main purpose of this method (i.e., quantification of CBE at 5% max in chocolate, which represents about 15% of the total fat) this model shows very good results. For milk chocolate, the mathematical model can also be used if TAG are integrated from partition number (PN) 46 to 54. Consequently, the model proposed provides sufficient information to verify the real application of the European legislation.",Triacylglycerol analysis for the quantification of cocoa butter equivalents (CBE) in chocolate: feasibility study and validation.,"['Cacao', 'Chromatography, High Pressure Liquid', 'Dietary Fats', 'Europe', 'Mathematics', 'Reproducibility of Results', 'Triglycerides']","['chemistry', None, 'analysis', None, None, None, 'analysis']",0.0,cocoa,0.14285714285714285,"['CB', 'cocoa butter replacements', 'cocoa butter', 'cocoa butter equivalents', 'triacylglycerol', 'stearyl', 'TAGs', 'CBE', 'TAG', 'L, linoleyl', 'palmityl']",1,14
17555636,"Theobromine, theophylline, and caffeine are determined simultaneously by a rapid and selective reversed-phase high-performance liquid chromatography (HPLC) method with UV detection in by-products of cupuacu and cacao seeds. The determination is carried out in the raw and roasted ground cupuacu seeds and in the corresponding powders obtained after pressure treatment. The by-products of both cupuacu seeds and cacao seeds are obtained under the same technological conditions. The HPLC method uses isocratic elution with a mobile phase of methanol-water-acetic acid (80:19:1) (v/v) at a flow rate of 1 mL/min and UV absorbance detection at 275 nm. Total elution time for these analytes is less than 10 min, and the detection limit for all analytes is 0.1 mg/g. The amounts of theobromine and caffeine found in all the cupuacu samples are one or more orders of magnitude lower than those from cacao. Theophylline is found in all cacao samples except for the roasted ground paste, and it is only found in the roasted ground paste in the cupuacu samples.","Determination of theobromine, theophylline, and caffeine in by-products of cupuacu and cacao seeds by high-performance liquid chromatography.","['Cacao', 'Caffeine', 'Chromatography, High Pressure Liquid', 'Reference Standards', 'Seeds', 'Spectrophotometry, Ultraviolet', 'Theobromine', 'Theophylline']","['embryology', 'analysis', 'methods', None, 'chemistry', None, 'analysis', 'analysis']",,cocoa,0.21818181818181817,"['Theophylline', 'methanol-water-acetic acid', 'Theobromine', 'theophylline', 'cacao seeds', 'theobromine', 'cupuacu', 'caffeine', '80:19:1']",1,12
25053037,"Nutritional composition and fatty acids (FA) profile were determined in cocoa and chocolates of different geographical origin and subject to different processing conditions. Cocoa butter was the major nutrient in cocoa beans and carbohydrates were the most important in chocolates. Cocoa composition and FA profile varied depending on geographical origin whilst in chocolates only carbohydrates and fat content varied significantly due to the effect of origin and no significant effect was observed for processing conditions. Both for cocoa and chocolates differences in FA profile were mainly explained as an effect of the geographical origin, and were not due to processing conditions in chocolate. For cocoa, differences in FA profile were found in C12:0, C14:0, C16:0, C16:1, C17:0, C17:1 and C18:0 whilst for chocolates only differences were found in C16:0, C18:0, C18:1 and C18:2. For all samples, C16:0, C18:0, C18:1 and C18:2 were quantitatively the most important FA. Ecuadorian chocolate showed a healthier FA profile having higher amounts of unsaturated FA and lower amounts of saturated FA than Ghanaian chocolate. ",Nutritional composition and fatty acids profile in cocoa beans and chocolates with different geographical origin and processing conditions.,"['Cacao', 'Fatty Acids', 'Mass Spectrometry', 'Nutritive Value']","['chemistry', 'chemistry', None, None]",1.0,cocoa,0.3150684931506849,"['C12:0', 'C14:0', 'saturated FA', 'Cocoa butter', 'C17:0', 'carbohydrates', 'C18:1', 'cocoa beans and carbohydrates', 'fatty acids', 'C16:1', 'C16:0', 'unsaturated FA', 'C17:1', 'FA', 'C18:0', 'C18:2']",1,23
11893788,"Maillard reactions are among the most important of the chemical and oxidative changes occurring in food and biological samples that contribute to food deterioration and to the pathophysiology of human disease. Although the association of lipid glycation with this process has recently been shown, the number of lipid glycation products in food and biological materials has not been clear. In this study, we synthesized the Amadori products derived from the glycation of phosphatidylethanolamine (PE), i.e., Amadori-PEs. Dioleoyl PE was incubated with glucose and lactose for 15 days, and the resultant Amadori-PEs were purified and isolated using solid phase extraction followed by HPLC. With this procedure, essentially pure (>98% purity) Amadori-PEs glycated with glucose (Glc-PE) and with lactose (Lac-PE) were obtained and used as standards in the subsequent studies. To determine the presence of Amadori-PEs in food and biological samples, the carbonyl group of Amadori-PEs was ultraviolet (UV)-labeled with 3-methyl-2-benzothiazolinone hydrazone, and the labeled Amadori-PEs were analyzed with normal phase HPLC-UV (318 nm). The detection limit was 4.5 ng (5 pmol) for Glc-PE and 5.3 ng (5 pmol) for Lac-PE. Among the several food samples examined, infant formula and chocolate contained a high amount of both Glc-PE and Lac-PE over wide concentration ranges, such as 1.5-112 microg/g. Testing biological materials showed Amadori-PE (Glc-PE) was detectable in rat plasma.",UV analysis of Amadori-glycated phosphatidylethanolamine in foods and biological samples.,"['Animals', 'Benzothiazoles', 'Blood', 'Blood Chemical Analysis', 'Chromatography, High Pressure Liquid', 'Female', 'Food Analysis', 'Glucose', 'Glycosylation', 'Humans', 'Hydrazones', 'Lactose', 'Maillard Reaction', 'Male', 'Mass Spectrometry', 'Milk, Human', 'Phosphatidylethanolamines', 'Rats', 'Rats, Sprague-Dawley', 'Thiazoles', 'Ultraviolet Rays']","[None, None, None, 'methods', 'methods', None, 'methods', 'chemistry', None, None, None, 'chemistry', None, None, 'methods', 'chemistry', 'analysis', None, None, 'chemistry', None]",0.0,cocoa,0.16666666666666666,"['PE', 'glycation', 'phosphatidylethanolamine', 'carbonyl', 'glucose', '3-methyl-2-benzothiazolinone hydrazone', 'lactose']",1,10
26923226,"Proanthocyanidins (PACs) are naturally occurring flavonoids possessing health beneficial bioactivities. Their quantification often utilizes the 4-dimethylaminocinnamaldehyde (DMAC) spectrophotometric assay with the assumption that molar absorption coefficients (MACs) are similar across the various PAC species. To assess the validity of this assumption, individual PAC monomers and oligomers were examined for their absorbance response with DMAC. Our results have shown that PAC dimers and trimers with interflavan linkage variations exhibited differential absorbance response. Absence of A-type linkage between the terminal and second units in PAC molecule not only impacts absorbance intensity at 640 nm but also elicits a prominent secondary 440 nm absorbance peak. Cranberry (A-type) and cocoa (B-type) oligomeric PACs exhibited differential absorbance (MACs) relationship with degree-of-polymerization. Thus, PAC structural variations have considerable impact on the resulting MAC. The use of DMAC assay in PAC quantification, especially in comparing across specific oligomers and compositions, should not assume MACs are similar. ",Influence of Degree-of-Polymerization and Linkage on the Quantification of Proanthocyanidins using 4-Dimethylaminocinnamaldehyde (DMAC) Assay.,"['Cacao', 'Cinnamates', 'Dimerization', 'Fruit', 'Molecular Structure', 'Plant Extracts', 'Polymerization', 'Proanthocyanidins', 'Solvents', 'Spectrophotometry', 'Vaccinium macrocarpon']","[None, None, None, 'chemistry', None, 'chemistry', None, 'analysis', None, 'methods', None]",0.0,cocoa,0.25,"['Cranberry', 'MAC', 'cocoa', 'flavonoids', '4-dimethylaminocinnamaldehyde', 'DMAC', 'PAC', 'Proanthocyanidins']",1,15
18371766,"The aroma profile of cocoa products was investigated by headspace solid-phase micro-extraction (HS-SPME) combined with gas chromatography-mass spectrometry (GC-MS). SPME fibers coated with 100 microm polydimethylsiloxane coating (PDMS), 65 microm polydimethylsiloxane/divinylbenzene coating (PDMS-DVB), 75 microm carboxen/polydimethylsiloxane coating (CAR-PDMS) and 50/30 microm divinylbenzene/carboxen on polydimethylsiloxane on a StableFlex fiber (DVB/CAR-PDMS) were evaluated. Several extraction times and temperature conditions were also tested to achieve optimum recovery. Suspensions of the samples in distilled water or in brine (25% NaCl in distilled water) were investigated to examine their effect on the composition of the headspace. The SPME fiber coated with 50/30 microm DVB/CAR-PDMS afforded the highest extraction efficiency, particularly when the samples were extracted at 60 degrees C for 15 min under dry conditions with toluene as an internal standard. Forty-five compounds were extracted and tentatively identified, most of which have previously been reported as odor-active compounds. The method developed allows sensitive and representative analysis of cocoa products with high reproducibility. Further research is ongoing to study chocolate making processes using this method for the quantitative analysis of volatile compounds contributing to the flavor/odor profile.",Evaluation of solid-phase micro-extraction coupled to gas chromatography-mass spectrometry for the headspace analysis of volatile compounds in cocoa products.,"['Cacao', 'Food Handling', 'Gas Chromatography-Mass Spectrometry', 'Organic Chemicals', 'Reproducibility of Results', 'Solid Phase Microextraction', 'Volatilization']","['chemistry', None, 'methods', 'analysis', None, 'methods', None]",2.0,cocoa,0.08823529411764706,"['HS-SPME', 'NaCl', 'headspace', 'carboxen/polydimethylsiloxane', 'toluene']",1,6
17454113,"A rapid antibody-based assay for the detection of ochratoxin A in cocoa powder is described, involving sequential clean-up and visual detection of the toxin (""clean-up tandem assay column""). The screening test was developed to have a cut-off level of 2 microg kg(-1) and was shown to have false positive and false negative rates of 10 and 2%, respectively. Analysis of six samples can be carried out in the field in approximately 30 min by untrained workers. Using the proposed rapid screening test, 10 retail cocoa powders were found to contain no detectable levels of ochratoxin A (<2 microg kg(-1)). These samples were also found to be negative (<2 microg kg(-1)) when analysed using an LC-MS/MS method.",Application and validation of a clean-up tandem assay column for screening ochratoxin A in cocoa powder.,"['Beverages', 'Cacao', 'Carcinogens', 'Chromatography, High Pressure Liquid', 'False Negative Reactions', 'False Positive Reactions', 'Food Contamination', 'Mycotoxins', 'Ochratoxins', 'Tandem Mass Spectrometry']","['analysis', 'chemistry', 'analysis', 'methods', None, None, 'analysis', 'analysis', 'analysis', 'methods']",,cocoa,0.06666666666666667,['ochratoxin A'],1,2
15161179,"A rapid and selective isocratic reversed-phase liquid chromatographic method has been developed at the National Institute of Standards and Technology to simultaneously measure caffeine, theobromine, and theophylline in a food-matrix standard reference material (SRM) 2384, Baking Chocolate. The method uses isocratic elution with a mobile phase composition (volume fractions) of 10% acetronitrile/90% water (pH adjusted to 2.5 using acetic acid) at a flow rate of 1.5 mL/min with ultraviolet absorbance detection (274 nm). Total elution time for these analytes is less than 15 min. Concentration levels of caffeine, theobromine, and theophylline were measured in single 1-g samples taken from each of eight bars of chocolate over an eight-day period. Samples were defatted with hexane, and beta-hydroxyethyltheophylline was added as the internal standard. The repeatability for the caffeine, theobromine, and theophylline measurements was 5.1, 2.3, and 1.9%, respectively. The limit of quantitation for all analytes was <100 ng/mL. The measurements from this method were used in the value-assignment of caffeine, theobromine, and theophylline in SRM 2384.","Determination of caffeine, theobromine, and theophylline in standard reference material 2384, baking chocolate, using reversed-phase liquid chromatography.","['Cacao', 'Caffeine', 'Chromatography, High Pressure Liquid', 'Reference Standards', 'Theobromine', 'Theophylline']","['chemistry', 'analysis', None, None, 'analysis', 'analysis']",1.0,cocoa,0.29411764705882354,"['theophylline', 'theobromine', 'hexane', 'caffeine', 'beta-hydroxyethyltheophylline', 'acetic acid']",1,15
22790716,"In order to investigate cadmium contents in foods sold in Japan, cadmium levels in 40 seafood samples and 30 chocolate samples were measured by means of atomic absorption spectrometry and ICP-OES. We first confirmed the validity of the method according to the guidelines of the Ministry of Health, Labour and Welfare. Among 40 seafood samples investigated, cadmium was detected in 31 samples, in which the concentration exceeded half the LOQ (0.025 mg/kg), and the level was ranged from 0.03 to 0.38 mg/kg. We could not find any sample containing cadmium in excess of 2 mg/kg, which the Codex Alimentarius sets as the maximum standard value. Among 30 chocolate samples, cadmium was detected in 21 samples, and the level ranged from 0.025 to 0.54 mg/kg.","[Surveillance of cadmium level in octopus, squid, clam, short-necked clam and chocolate].","['Animals', 'Bivalvia', 'Cacao', 'Cadmium Compounds', 'Decapodiformes', 'Food Analysis', 'Japan', 'Maximum Allowable Concentration', 'Octopodiformes', 'Seafood', 'Spectrophotometry, Atomic']","[None, 'chemistry', 'chemistry', 'analysis', 'chemistry', 'methods', None, None, 'chemistry', 'analysis', 'methods']",,cocoa,0.14285714285714285,['cadmium'],1,5
12526004,"Liquid chromatography coupled with ionspray mass spectrometry in the tandem mode (LC/MS/MS) with negative ion detection was used for the identification of a variety of phenolic compounds in a cocoa sample. Gradient elution with water and acetonitrile, both containing 0.1% HCOOH, was used. Standard solutions of 31 phenolic compounds, including benzoic and cinnamic acids and flavonoid compounds, were studied in the negative ion mode using MS/MS product ion scans. At low collisional activation, the deprotonated molecule [M - H](-) was observed for all the compounds studied. For cinnamic and benzoic acids, losses of CO(2) or formation of [M - CH(3)](-*) in the case of methoxylated compounds were observed. However, for flavonol and flavone glycosides, the spectra present both the deprotonated molecule [M - H](-) of the glycoside and the ion corresponding to the deprotonated aglycone [A - H](-). The latter ion is formed by loss of the rhamnose, glucose, galactose or arabinose residue from the glycosides. Different fragmentation patterns were observed in MS/MS experiments for flavone-C-glycosides which showed fragmentation in the sugar part. Fragmentation of aglycones provided characteristic ions for each family of flavonoids. The optimum LC/MS/MS conditions were applied to the characterization of a cocoa sample that had been subjected to an extraction/clean-up procedure which involved chromatography on Sephadex LH20 and thin-layer chromatographic monitoring. In addition to compounds described in the literature, such as epicatechin and catechin, quercetin, isoquercitrin (quercetin-3-O-glucoside) and quercetin-3-O-arabinose, other compounds were identified for the first time in cocoa samples, such as hyperoside (quercetin-3-O-galactoside), naringenin, luteolin, apigenin and some O-glucosides and C-glucosides of these compounds.",Liquid chromatographic/electrospray ionization tandem mass spectrometric study of the phenolic composition of cocoa (Theobroma cacao).,"['Cacao', 'Chromatography, Liquid', 'Flavonoids', 'Phenols', 'Spectrometry, Mass, Electrospray Ionization']","['chemistry', None, 'analysis', 'analysis', None]",,cocoa,0.24489795918367346,"['HCOOH', 'luteolin', 'naringenin', 'deprotonated aglycone [A - H](-', 'quercetin', 'catechin', 'quercetin-3-O-glucoside', 'flavonol', 'aglycones', 'apigenin', 'arabinose', 'glycoside', 'flavone glycosides', 'galactose', 'cinnamic', 'isoquercitrin', 'flavonoid compounds', 'epicatechin', 'benzoic and cinnamic acids', 'rhamnose', 'benzoic acids', 'glucose', 'flavonoids', 'hyperoside']",1,24
11675670,"Quantitative analyses of fatty acids from five triacylglycerol products, coconut oil, palm kernel oil, palm oil, lard and cocoa butter, were carried out using two analytical methods: matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS) and gas chromatography (GC), in an effort to validate the application of MALDI-TOFMS in quantitative fatty acid analysis. For the GC analysis, transmethylated products were used, whereas, for the MALDI-TOF analysis, saponified products were used. Under MALDI-TOF conditions, the acids were detected as sodiated sodium carboxylates [RCOONa + Na](+) consistent with the mode of ionization that was previously reported. Thus, the MALDI-TOF mass spectrum of saponified coconut oil showed the presence of sodiated sodium salts of caprylic acid (7.5 +/- 0.67, m/z 189), capric acid (6.9 +/- 0.83, m/z 217), lauric acid (47.8 +/- 0.67, m/z 245), myristic acid (20.4 +/- 0.51, m/z 273), palmitic acid (9.8 +/- 0.47, m/z 301), linoleic acid (0.9 +/- 0.07, m/z 325), oleic acid (4.8 +/- 0.42, m/z 327) and stearic acid (2.0 +/- 0.13, m/z 329). Saponified palm kernel oil had a fatty acid profile that included caprylic acid (3.5 +/- 0.59), capric acid (4.7 +/- 0.82), lauric acid (58.6 +/- 2.3), myristic acid (20.9 +/- 1.5), palmitic acid (7.2 +/- 1.1), oleic acid (3.8 +/- 0.62) and stearic acid (1.2 +/- 0.15). Saponified palm oil gave myristic acid (0.83 +/- 0.18), palmitic acid (55.8 +/- 1.7), linoleic acid (4.2 +/- 0.51), oleic acid (34.5 +/- 1.5), stearic acid (3.8 +/- 0.26) and arachidic acid (0.80 +/- 0.22). Saponified lard showed the presence of myristic acid (1.5 +/- 0.24), palmitic acid (28.9 +/- 1.3), linoleic acid (13.7 +/- 0.67), oleic acid (38.7 +/- 1.4), stearic acid (12.8 +/- 0.64) and arachidic acid (2.4 +/- 0.35). Finally, for saponified cocoa butter, the fatty acid distribution was: palmitic acid (32.3 +/- 1.0), linoleic acid (2.6 +/- 0.35), oleic acid (34.9 +/- 1.7) and stearic acid (30.3 +/- 1.6). Quantitative gas chromatographic analysis of the corresponding methyl esters from these triacylglycerol products yielded data that were mostly in agreement with the MALDI-TOFMS data. The MALDI-TOF experiment, however, proved to be superior to the GC experiment, particularly with regard to baseline resolution of unsaturated acids. Furthermore, the ability of MALDI-TOFMS to detect low concentrations of fatty acids rendered it more sensitive than the GC methodology.",Comparative quantitative fatty acid analysis of triacylglycerols using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry and gas chromatography.,"['Animals', 'Cattle', 'Chromatography, Gas', 'Dietary Fats', 'Fatty Acids', 'Plant Oils', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization', 'Triglycerides']","[None, None, None, 'analysis', 'analysis', 'analysis', None, 'analysis']",,cocoa,0.4639175257731959,"['methyl esters', 'saponified coconut', 'fatty acids', 'arachidic acid', 'sodium', 'saponified cocoa butter', 'stearic acid', 'unsaturated acids', 'linoleic acid', 'myristic acid', 'fatty acid', 'capric acid', 'oleic acid', 'caprylic acid', 'acids', 'sodiated sodium', 'triacylglycerol', 'palmitic acid', 'lauric acid']",1,45
16719534,"Cocoa and chocolate products from major brands were analyzed blind for total antioxidant capacity (AOC) (lipophilic and hydrophilic ORAC(FL)), catechins, and procyanidins (monomer through polymers). Accuracy of analyses was ascertained by comparing analyses on a NIST standard reference chocolate with NIST certified values. Procyanidin (PC) content was related to the nonfat cocoa solid (NFCS) content. The natural cocoa powders (average 87% of NFCS) contained the highest levels of AOC (826 +/- 103 micromol of TE/g) and PCs (40.8 +/- 8.3 mg/g). Alkalized cocoa (Dutched powders, average 80% NFCS) contained lower AOC (402 +/- 6 micromol of TE /g) and PCs (8.9 +/- 2.7 mg/g). Unsweetened chocolates or chocolate liquor (50% NFCS) contained 496 +/- 40 micromol of TE /g of AOC and 22.3 +/- 2.9 mg/g of PCs. Milk chocolates, which contain the least amount of NFCS (7.1%), had the lowest concentrations of AOC (80 +/- 10 micromol of TE /g) and PCs (2.7 +/- 0.5 mg/g). One serving of cocoa (5 g) or chocolate (15 or 40 g, depending upon the type of chocolate) provides 2000-9100 micromol of TE of AOC and 45-517 mg of PCs, amounts that exceed the amount in a serving of the majority of foods consumed in America. The monomers through trimers, which are thought to be directly bioavailable, contributed 30% of the total PCs in chocolates. Hydrophilic antioxidant capacity contributed >90% of AOC in all products. The correlation coefficient between AOC and PCs in chocolates was 0.92, suggesting that PCs are the dominant antioxidants in cocoa and chocolates. These results indicate that NFCS is correlated with AOC and PC in cocoa and chocolate products. Alkalizing dramatically decreased both the procyanidin content and antioxidant capacity, although not to the same extent.",Procyanidin and catechin contents and antioxidant capacity of cocoa and chocolate products.,"['Antioxidants', 'Biflavonoids', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Proanthocyanidins', 'Spectrometry, Mass, Electrospray Ionization']","['analysis', 'analysis', 'chemistry', 'analysis', None, 'analysis', None]",1.0,cocoa,0.09473684210526316,"['cocoa', 'TE/g', 'chocolates', 'Cocoa', 'Procyanidin', 'catechins', 'procyanidin', 'procyanidins']",1,9
21094947,"The applicability of comprehensive two-dimensional gas chromatography (GC_GC) for flavonoids analysis was investigated by separation and identification of flavonoids in standards, and a complex matrix natural sample. The modulation temperature was optimized to achieve the best separation and signal enhancement. The separation pattern of trimethylsilyl (TMS) derivatives of flavonoids was compared on two complementary column sets. Whilst the BPX5/BPX50 (NP/P) column set offers better overall separation, BPX50/BPX5 (P/NP) provides better peak shape and sensitivity. Comparison of the identification power of GC_GC-TOFMS against both the NIST05 MS library and a laboratory (created in-house) TOFMS library was carried out on a flavonoid mixture. The basic retention index information on high-performance capillary columns with a non-polar stationary phase was established and database of mass spectra of trimethylsilyl derivatives of flavonoids was compiled. TOFMS coupled to GC_GC enabled satisfactory identification of flavonoids in complex matrix samples at their LOD over a range of 0.5-10 __g/mL. Detection of all compounds was based on full-scan mass spectra and for each compound a characteristic ion was chosen for further quantification. This study shows that GC_GC-TOFMS yields high specificity for flavonoids derived from real natural samples, dark chocolate, propolis, and chrysanthemum.","Comprehensive two-dimensional gas chromatography, retention indices and time-of-flight mass spectra of flavonoids and chalcones.","['Chalcones', 'Flavonoids', 'Food Analysis', 'Gas Chromatography-Mass Spectrometry']","['analysis', 'analysis', None, 'methods']",0.0,cocoa,0.12307692307692308,"['flavonoids', 'trimethylsilyl']",1,8
2745605,"This paper details a high-performance liquid chromatography (HPLC) method for the separation of triacylglycerols, using a 3-micron, 15 cm x 4.6 mm I.D. Spherisorb ODS column and gradient elution with dichloromethane and acetonitrile. The triacylglycerols are detected using a light scattering detector (mass detector). Separations of a number of different edible oils and fats are reported. The procedure offers a possible method for determining cocoa butter equivalents and the adulteration of edible oils and fats by other non-generic fats and oils.",Rapid analysis of triacylglycerols using high-performance liquid chromatography with light scattering detection.,"['Chromatography, High Pressure Liquid', 'Food Contamination', 'Plant Oils', 'Refractometry', 'Triglycerides']","[None, 'analysis', 'analysis', None, 'analysis']",,cocoa,0.2222222222222222,"['edible oils', 'cocoa butter equivalents', 'triacylglycerols', 'other non-generic fats', 'dichloromethane']",1,6
26651573,"There are few studies about different types of chocolate and their chemical characterization by Fourier transform (FT)-Raman spectroscopy and capillary zone electrophoresis (CZE). The aim of this study was to evaluate the lipid profile of different types of Brazilian chocolate through characterization by FT-Raman spectroscopy and identification and quantification of major fatty acids (FAs) by CZE to confirm FT-Raman spectrometry results. It was found that the main spectroscopic profile difference of the chocolate samples analyzed was related to the presence of saturated or unsaturated FAs. Well defined bands at approximately 1660, 1267, and 1274 cm(-1) corresponding to vibrational modes of unsaturated FAs (UnFAs) were found only in the spectra of samples with cocoa butter in their composition according to label specifications, mainly in dark chocolate samples. The FA identification and quantification by CZE found the presence of stearic (18:0) and palmitic (16:0) acids as the major saturated FAs in all chocolate samples. Dark chocolate samples showed the highest levels of oleic (cis-9 18:1) and linoleic (cis, cis -9,12 18:2) UnFAs monitored and the lowest levels of 14:0 in their chemical composition. Samples coded as 02 (with not only cocoa butter in their composition according to label) had the highest levels of 14:0 (FA not present in cocoa butter composition) corresponding to label information and inferring the presence of other fat sources, called cocoa butter substitutes, mainly for milk and white chocolate samples. This study suggests FT-Raman spectroscopy is a powerful technique that can be used to chemically characterize the chocolate lipid fraction, and CZE is a tool able to confirm Raman spectroscopy results and identify and quantify the major FAs in chocolate samples. ","Lipid Characterization of White, Dark, and Milk Chocolates by FT-Raman Spectroscopy and Capillary Zone Electrophoresis.","['Cacao', 'Electrophoresis, Capillary', 'Fatty Acids', 'Spectrum Analysis, Raman']","['chemistry', 'methods', 'analysis', 'methods']",,cocoa,0.25287356321839083,"['FAs', 'cocoa butter', 'saturated FAs', 'linoleic', 'saturated', 'unsaturated FAs', '16:0', 'fatty acids', 'oleic', 'palmitic', 'acids', 'stearic', 'cis-9 18:1', '18:0', '14:0', 'cis, cis -9,12 18:2', 'FA']",1,22
16314166,"A rapid and selective cation exchange chromatographic method coupled to integrated pulsed amperometric detection (PAD) has been developed to quantify biogenic amines in chocolate. The method is based on gradient elution of aqueous methanesulfonic acid with post column addition of strong base to obtain suitable conditions for amperometric detection. A potential waveform able to keep long time performance of the Au disposable electrode was set up. Total analysis time is less than 20min. Concentration levels of dopamine, serotonin, tyramine, histamine and 2-phenylethylamine were measured, after extraction with perchloric acid from 2g samples previously defatted twice with petroleum ether. The method was used to determine the analytes in chocolate real matrices and their quantification was made with standard addition method. Only dopamine, histamine and serotonin were found in the analysed real samples. Repeatabilities of their signals, computed on their amounts in the real samples, were 5% for all of them. Repeatabilities of tyramine and phenethylamine were relative to standard additions to real samples (close to 1mg/l in the extract) and were 7 and 3%, respectively. Detection limits were computed with the 3s of the baseline noise combined with the calibration plot regression parameters. They were satisfactorily low for all amines: 3mg/kg for dopamine, 2mg/kg for tyramine, 1mg/kg for histamine, 2mg/kg for serotonin, 3mg/kg for 2-phenylethylamine.",Determination of biogenic amines in chocolate by ion chromatographic separation and pulsed integrated amperometric detection with implemented wave-form at Au disposable electrode.,"['Biogenic Amines', 'Cacao', 'Chromatography, Ion Exchange', 'Dopamine', 'Electrochemistry', 'Electrodes', 'Food Analysis', 'Gold', 'Histamine', 'Mesylates', 'Perchlorates', 'Phenethylamines', 'Reproducibility of Results', 'Sensitivity and Specificity', 'Serotonin', 'Tyramine']","['analysis', 'chemistry', 'methods', 'analysis', 'methods', None, 'methods', 'chemistry', 'analysis', 'chemistry', 'chemistry', 'analysis', None, None, 'analysis', 'analysis']",0.0,cocoa,0.34782608695652173,"['petroleum ether', 'tyramine', '3mg/kg', 'dopamine', '2-phenylethylamine', 'amines', 'histamine', 'serotonin', 'phenethylamine', 'aqueous methanesulfonic acid', 'perchloric acid', 'Repeatabilities']",1,24
18193748,"A simple and rapid method based on ultrasound energy is described for the determination of aluminum (AI) in complex matrixes of chocolate and candy samples by electrothermal atomic absorption spectrometry. The optimization strategy was carried out using multivariate methodologies. Five variables (temperature of the ultrasonic bath; exposure time to ultrasound energy; volumes of 2 acid mixtures, HNO3-H2SO4-H2O2 (1 + 1 + 1) and HNO3-H2O2 (1 + 1); and sample mass) were considered as factors in the optimization process. Interactions between analytical factors and their optimal levels were investigated using fractional factorial and Doehlert matrix designs. Validation of the ultrasonic-assisted acid digestion procedure was performed against standard reference materials, milk powder (SRM 8435) and wheat flour (SRM 1567a). The proposed procedure allowed Al determination with a detection limit of 2.3 microg/L (signal-to-noise = 3) and a precision, calculated as relative standard deviation, of 2.2% for a set of 10 measurements of certified samples. The recovery of Al by the proposed procedure was close to 100%, and no significant difference at the 95% confidence level was found between determined and certified values of Al. The proposed procedure was applied to the determination of Al in chocolate and candy samples. The results indicated that cocoa-based chocolates have higher contents of Al than milk- and sugar-based chocolates and candies.",Application of fractional factorial design and Doehlert matrix in the optimization of experimental variables associated with the ultrasonic-assisted acid digestion of chocolate samples for aluminum determination by atomic absorption spectrometry.,"['Acids', 'Algorithms', 'Aluminum', 'Cacao', 'Candy', 'Data Interpretation, Statistical', 'Hydrolysis', 'Indicators and Reagents', 'Spectrophotometry, Atomic', 'Ultrasonics']","['chemistry', None, 'analysis', 'chemistry', 'analysis', None, None, None, None, None]",,cocoa,0.07462686567164178,"['aluminum', 'Al', 'HNO3-H2O2', 'ultrasonic-assisted acid', '2 acid mixtures, HNO3-H2SO4-H2O2']",1,5
21409610,"Novel saccharide-based stationary phases were developed by applying non-enzymatic browning (Maillard Reaction) on aminopropyl silica material. During this process, the reducing sugars glucose, lactose, maltose, and cellobiose served as ""ligand primers"". The reaction cascade using cellobiose resulted in an efficient chromatographic material which further served as our model Chocolate HILIC column. (Chocolate refers to the fact that these phases are brownish.) In this way, an amine backbone was introduced to facilitate convenient manipulation of selectivity by additional attractive or repulsive ionic solute-ligand interactions in addition to the typical HILIC retention mechanism. In total, six different test sets and five different mobile phase compositions were investigated, allowing a comprehensive evaluation of the new polar column. It became evident that, besides the so-called HILIC retention mechanism based on partition phenomena, additional adsorption mechanisms, including ionic interactions, take place. Thus, the new column is another example of a HILIC-type column characterized by mixed-modal retention increments. The glucose-modified materials exhibited the relative highest overall hydrophobicity of all grafted Chocolate HILIC columns which enabled retention of lipophilic analytes with high water content mobile phases.",Chocolate HILIC phases: development and characterization of novel saccharide-based stationary phases by applying non-enzymatic browning (Maillard reaction) on amino-modified silica surfaces.,"['Adsorption', 'Cacao', 'Chromatography, Liquid', 'Disaccharides', 'Glucose', 'Hydrophobic and Hydrophilic Interactions', 'Ligands', 'Silicon Dioxide', 'Surface Properties']","[None, 'chemistry', None, 'chemistry', 'chemistry', None, None, 'chemistry', None]",0.0,cocoa,0.12727272727272726,"['glucose', 'aminopropyl silica', 'maltose', 'amine', 'lactose', 'cellobiose']",1,7
2312513,"A liquid chromatographic (LC) method has been developed to determine the content of polydextrose, a water-soluble 1 calorie/g bulking agent, in food matrixes such as cookies, cakes, fruit spreads, and chocolate toppings. This analysis, which requires use of a blank matrix, provides a feasible means to control the manufacture of foods containing this additive and provides a component for the accurate determination of the caloric value of a particular food product. The method involves aqueous extraction of the polydextrose from the food matrix followed by separation on a carbohydrate analysis column. The LC system uses a mobile phase of 0.005M CaSO4.2H2O and a refractive index detector for quantitation. Polydextrose recoveries from the food matrixes varied from 91.5 to 100.9% with assay precision, expressed as coefficient of variation, ranging from 0.7 to 4.3%. Each error estimate was derived from 5 parallel determinations. The present methodology is precise and selective in contrast to the modified classical phenol-sulfuric acid colorimetric method for assaying carbohydrates, which had been used for polydextrose determination in food matrixes in the past. Because the coefficient of variation frequently exceeded 10%, replicate analyses were necessary to achieve quantitation.",Liquid chromatographic determination of polydextrose in food matrixes.,"['Cacao', 'Chromatography, Liquid', 'Food Analysis', 'Fruit', 'Glucans', 'Solvents']","['analysis', None, None, 'analysis', 'analysis', None]",,cocoa,0.10204081632653061,"['acid', 'polydextrose', 'carbohydrates']",1,5
28779575,"A fast separation based on cation-exchange liquid chromatography coupled with high-resolution mass spectrometry is proposed for simultaneous determination of chlormequat, difenzoquat, diquat, mepiquat and paraquat in several food and beverage commodities. Solid samples were extracted using a mixture of water/methanol/formic acid (69.6:30:0.4, v/v/v), while liquid samples were ten times diluted with the same solution. Separation was carried out on an experimental length-modified IonPac CS17 column (2_____15__mm",Fast analysis of quaternary ammonium pesticides in food and beverages using cation-exchange chromatography coupled with isotope-dilution high-resolution mass spectrometry.,"['Ammonium Compounds', 'Beverages', 'Cations', 'Chromatography, Ion Exchange', 'Food Contamination', 'Isotopes', 'Mass Spectrometry', 'Pesticides', 'Tandem Mass Spectrometry']","['analysis', 'analysis', None, None, 'analysis', None, None, 'analysis', None]",1.0,cocoa,0.23809523809523808,"['mepiquat', 'paraquat', 'acid', 'diquat', 'chlormequat']",1,5
7698108,"Extracts of several grain-based coffee-substitute blends and instant coffees were mutagenic in the Ames/Salmonella test using TA98, YG1024, and YG1029 with metabolic activation. The beverage powders induced 150 to 500 TA98 and 1,150 to 4,050 YG1024 revertant colonies/g, respectively. Increased sensitivity was achieved using strain YG1024. No mutagenic activity was found in instant hot cocoa products. The mutagenic activity in the beverage powders was shown to be stable to heat and the products varied in resistance to acid nitrite treatment. Differential bacterial strain specificity, and a requirement for metabolic activation suggest that aromatic amines are present. Characterization of the mutagenic activity, using HPLC and the Ames test of the collected fractions, showed the coffee-substitute blends and instant coffees contain several mutagenic compounds. Known heterocyclic amines are not responsible for the major part of the mutagenic activity. The main mutagenic activity in grain-based coffee-substitute blends and instant coffees is due to several unidentified compounds, which are most likely aromatic amines.",Characterization of mutagenic activity in instant hot beverage powders.,"['Amines', 'Beverages', 'Cacao', 'Chicory', 'Chromatography, High Pressure Liquid', 'Coffee', 'Edible Grain', 'Food Analysis', 'Food, Formulated', 'Heterocyclic Compounds', 'Hot Temperature', 'Hydroxylamines', 'Mutagenicity Tests', 'Mutagens', 'Powders', 'Salmonella typhimurium']","['isolation & purification', 'analysis', 'chemistry', 'chemistry', None, 'chemistry', 'chemistry', None, 'analysis', 'isolation & purification', None, 'isolation & purification', None, 'isolation & purification', 'chemistry', 'drug effects']",,cocoa,0.12962962962962962,"['aromatic amines', 'YG1024', 'heterocyclic amines', 'acid nitrite']",1,7
28419110,"This work evaluated the effect of cocoa pulp as a malt adjunct on the parameters of fermentation for beer production on a pilot scale. For this purpose, yeast isolated from the spontaneous fermentation of cacha_a (SC52), belonging to the strain bank of the State University of Feira de Santana-Ba (Brazil), and a commercial strain of ale yeast (Safale S-04 Belgium) were used. The beer produced was subjected to acceptance and purchase intention tests for sensorial analysis. At the beginning of fermentation, 30% cocoa pulp (adjunct) was added to the wort at 12_P concentration. The production of beer on a pilot scale was carried out in a bioreactor with a 100-liter capacity, a usable volume of 60 liters, a temperature of 22_C and a fermentation time of 96 hours. The fermentation parameters evaluated were consumption of fermentable sugars and production of ethanol, glycerol and esters. The beer produced using the adjunct and yeast SC52 showed better fermentation performance and better acceptance according to sensorial analysis.",Cocoa pulp in beer production: Applicability and fermentative process performance.,"['Beer', 'Bioreactors', 'Cacao', 'Carbohydrates', 'Chromatography, High Pressure Liquid', 'Esters', 'Ethanol', 'Fermentation', 'Glycerol', 'Hydrogen-Ion Concentration', 'Pilot Projects', 'Saccharomyces cerevisiae', 'Solid Phase Microextraction', 'Temperature', 'Time Factors']","['analysis', 'microbiology', 'metabolism', 'analysis', None, 'analysis', 'analysis', None, 'analysis', None, None, 'metabolism', None, None, None]",0.0,cocoa,0.06451612903225806,"['ethanol', 'fermentable sugars', 'esters', 'glycerol']",1,4
16881674,"A straightforward stable isotope dilution analysis (SIDA) for the quantitative determination of the di- and trihydroxybenzenes catechol (1), pyrogallol (2), 3-methylcatechol (3), 4-methylcatechol (4), and 4-ethylcatechol (5) in foods by means of liquid chromatography-tandem mass spectrometry was developed. With or without sample preparation involving phenylboronyl solid phase extraction, the method allowed the quantification of the target compounds in complex matrices such as coffee beverages with quantification limits of 9 nmol/L for 4-ethylcatechol, 24 nmol/L for catechol, 3-methyl-, and 4-methylcatechol, and 31 nmol/L for pyrogallol. Recovery rates for the analytes ranged from 97 to 103%. Application of the developed SIDA to various commercial food samples showed that quantitative analysis of the target compounds is possible within 30 min and gave first quantitative data on the amounts of di- and trihydroxybenzenes in coffee beverage, coffee powder, coffee surrogate, beer, malt, roasted cocoa powder, bread crust, potato crisps, fruits, and cigarette smoke and human urine. Model precursor studies revealed the carbohydrate/amino acid systems as well as the plant polyphenols catechin and epicatechin as precursors of catechol and 5-O-caffeoylquinic acid, caffeic acid as a precursor of catechol and 4-ethylcatechol, and gallocatechin, epigallocatechin, and gallic acid as precursors of pyrogallol.",Development of a stable isotope dilution analysis with liquid chromatography-tandem mass spectrometry detection for the quantitative analysis of di- and trihydroxybenzenes in foods and model systems.,"['Catechols', 'Chromatography, Liquid', 'Coffee', 'Deuterium', 'Food Analysis', 'Fruit', 'Humans', 'Indicator Dilution Techniques', 'Mass Spectrometry', 'Pyrogallol', 'Smoke', 'Tobacco']","['analysis', 'methods', 'chemistry', None, 'methods', 'chemistry', None, None, 'methods', 'analysis', 'analysis', None]",1.0,cocoa,0.3157894736842105,"['epicatechin', '4-methylcatechol', 'trihydroxybenzenes', 'potato crisps, fruits', 'polyphenols catechin', 'caffeic acid', 'beer, malt, roasted cocoa', 'acid', 'pyrogallol', '4-ethylcatechol', 'trihydroxybenzenes catechol', 'gallocatechin', 'catechol', '3-methyl-', 'epigallocatechin', 'gallic acid', '3-methylcatechol']",1,24
12166966,"New experimental data on the extraction of caffeine from guaran seeds and mat© tea leaves, and theobromine from cocoa beans, with supercritical CO2 were obtained using a high-pressure extraction apparatus. The effect of the addition of ethanol to carbon dioxide on the extraction efficiency was also investigated. Caffeine extraction yields of 98% of the initial caffeine content in both wet ground guaran seeds and mat© tea leaves were obtained. Extractions of caffeine from guaran seeds and mat© tea leaves also exhibited a retrograde behavior for the two temperatures considered in this work. In the removal of theobromine from cocoa beans, a much smaller extraction yield was obtained with longer extraction periods and consequently larger solvent requirements. The results of this study confirm the higher selectivity of CO2 for caffeine in comparison with that for theobromine, and also the influence of other components in each particular natural product on the extraction of methylxanthines. The effect of the addition of ethanol to carbon dioxide on the extraction of methylxanthines was significant, particularly in the extraction of theobromine from cocoa beans. In general, the use of ethanol results in lower solvent and energy requirements and thereby improved extraction efficiency.","Extraction of methylxanthines from guaran seeds, mat© leaves, and cocoa beans using supercritical carbon dioxide and ethanol.","['Cacao', 'Caffeine', 'Carbon Dioxide', 'Chromatography, Supercritical Fluid', 'Ethanol', 'Ilex paraguariensis', 'Plant Leaves', 'Sapindaceae', 'Seeds', 'Theobromine', 'Xanthines']","['chemistry', 'isolation & purification', None, None, None, 'chemistry', 'chemistry', 'chemistry', 'chemistry', 'isolation & purification', 'isolation & purification']",1.0,cocoa,0.2465753424657534,"['CO2', 'theobromine', 'ethanol', 'Caffeine', 'carbon dioxide', 'caffeine', 'methylxanthines']",1,18
23349790,"The sensory quality and the contents of quality-determining chemical compounds in unfermented and fermented cocoa from 100 cacao trees (individual genotypes) representing groups of nine genotype spectra (GG), grown at smallholder plantings in the municipality of Waslala, Nicaragua, were evaluated for two successive harvest periods. Cocoa samples were fermented using a technique mimicking recommended on-farm practices. The sensory cocoa quality was assessed by experienced tasters, and seven major chemical taste compounds were quantified by near infrared spectrometry (NIRS). The association of the nine, partially admixed, genotype spectra with the analytical and sensory quality parameters was tested. The individual parameters were analyzed as a function of the factors GG and harvest (including the date of fermentation), individual trees within a single GG were used as replications. In fermented cocoa, significant GG-specific differences were observed for methylxanthines, theobromine-to-caffeine (T/C) ratio, total fat, procyanidin B5 and epicatechin, as well as the sensory attributes global score, astringency, and dry fruit aroma, but differences related to harvest were also apparent. The potential cocoa yield was also highly determined by the individual GG, although there was significant tree-to-tree variation within every single GG. Non-fermented samples showed large harvest-to-harvest variation of their chemical composition, while differences between GG were insignificant. These results suggest that selection by the genetic background, represented here by groups of partially admixed genotype spectra, would be a useful strategy toward enhancing quality and yield of cocoa in Nicaragua. Selection by the GG within the local, genetically segregating populations of seed-propagated cacao, followed by clonal propagation of best-performing individuals of the selected GG could be a viable alternative to traditional propagation of cacao by seed from open pollination. Fast and gentle air-drying of the fermented beans and their permanent dry storage were an efficient and comparatively easy precondition for high cocoa quality.","Diversity of cacao trees in Waslala, Nicaragua: associations between genotype spectra, product quality and yield potential.","['Biflavonoids', 'Biodiversity', 'Biomass', 'Cacao', 'Caffeine', 'Catechin', 'Fermentation', 'Food Handling', 'Fruit', 'Genetic Variation', 'Genotype', 'Nicaragua', 'Proanthocyanidins', 'Quality Control', 'Seeds', 'Spectroscopy, Near-Infrared', 'Taste', 'Theobromine', 'Trees', 'Xanthines']","['analysis', None, None, 'chemistry', 'analysis', 'analysis', None, 'methods', 'chemistry', None, None, None, 'analysis', None, 'chemistry', None, None, 'analysis', 'chemistry', 'analysis']",1.0,cocoa,0.043478260869565216,"['epicatechin', 'cocoa', 'cacao', 'procyanidin', 'methylxanthines']",1,5
28318272,"The odor-active constituents of cocoa pulp have been analyzed by aroma extract dilution analysis (AEDA) for the first time. Pulps of three different cocoa varieties have been investigated. The variety CCN51 showed low flavor intensities, in terms of flavor dilution (FD) factors, in comparison to varieties FSV41 and UF564, for which floral and fruity notes were detected in higher intensities. To gain first insights on a molecular level of how the cocoa pulp odorants affected the odor quality of cocoa beans during fermentation, quantitative measurements of selected aroma compounds were conducted in pulp and bean at different time points of the fermentation. The results showed significantly higher concentrations of 2-phenylethanol and 3-methylbutyl acetate in pulp than in the bean during the different time steps of the fermentation, whereas the reverse could be observed for the odorants linalool and 2-methoxyphenol. The findings of this study constitute a basis for further investigations on the aroma formation of cocoa during fermentation.",Investigations on the Aroma of Cocoa Pulp ( Theobroma cacao L.) and Its Influence on the Odor of Fermented Cocoa Beans.,"['Cacao', 'Fermentation', 'Flavoring Agents', 'Gas Chromatography-Mass Spectrometry', 'Odorants', 'Saccharomyces cerevisiae', 'Seeds']","['chemistry', None, 'analysis', None, 'analysis', 'metabolism', 'chemistry']",0.0,cocoa,0.1,"['cocoa', 'acetate', '2-phenylethanol', 'AEDA', 'aroma extract', '2-methoxyphenol']",1,6
19191673,"Procyanidins (PCs) are highly abundant phenolic compounds in the human diet and might be responsible for the health effects of chocolate and wine. Due to low absorption of intact PCs, microbial metabolism might play an important role. So far, only a few studies, with crude extracts rich in PCs but also containing a multitude of other phenolic compounds, have been performed to reveal human microbial PC metabolites. Therefore, the origin of the metabolites remains questionable. This study included in vitro fermentation of purified PC dimers with human microbiota. The main metabolites identified were 2-(3,4-dihydroxyphenyl)acetic acid and 5-(3,4-dihydroxyphenyl)-gamma-valerolactone. Other metabolites detected were 3-hydroxyphenylacetic acid, 4-hydroxyphenylacetic acid, 3-hydroxyphenylpropionic acid, phenylvaleric acids, monohydroxylated phenylvalerolactone, and 1-(3',4'-dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol. Metabolites that could be quantified accounted for at least 12 mol % of the dimers, assuming 1 mol of dimers is converted into 2 mol of metabolite. A degradation pathway, partly different from that of monomeric flavan-3-ols, is proposed.","Procyanidin dimers are metabolized by human microbiota with 2-(3,4-dihydroxyphenyl)acetic acid and 5-(3,4-dihydroxyphenyl)-gamma-valerolactone as the major metabolites.","['3,4-Dihydroxyphenylacetic Acid', 'Chromatography, High Pressure Liquid', 'Dimerization', 'Feces', 'Fermentation', 'Gallic Acid', 'Grape Seed Extract', 'Humans', 'Lactones', 'Mass Spectrometry', 'Plant Extracts', 'Proanthocyanidins']","['analysis', None, None, 'microbiology', None, 'isolation & purification', None, None, 'analysis', None, 'chemistry', 'chemistry']",0.0,cocoa,0.125,"['5-(3,4-dihydroxyphenyl)-gamma-valerolactone', '4-hydroxyphenylacetic acid', 'acid', 'phenylvalerolactone', 'acids', 'Procyanidins']",1,6
17674523,"In the article results of comparative analysis of grated cocoa and cocoa butter samples are presented. The investigation was done by modern instrumental methods such as HPLC, GC, UV- VIS-spectroscopy, and also with application of titrimetric and grarimetric methods. In the analyzed samples contents of total phenolics changes in an interval 1,0-3,2%, including monomeric proantocyanidins 0,6-1,35%; pyrroloquinoline quinine (PQQ) 0,34-0,76 microg/g; phenyl ethylamine from 2,79 to 14,97 microg/g, tyramine from 9,56 to 71,68 microg/g, dopamine from 5,3 to 25,85 microg/g; theobromine from 3,3 to 8%, caffeine from 0,49 to 0,70%; among the amino acids at the greatest quantities were presented glutaminic and asparaginic acids, arginin and leucin; three main fatty acids were determined - palmitinic (31+/-2% rel.), oleinic (35+/-2% rel.) and stearinic (35+/-2% rel.); the main phytosterins were sytosterin (up to 192 mg%) and obtusifoliol (up to 198,5 mg%).",[Biologically active substances in grated cocoa and cocoa butter].,"['Alkaloids', 'Amino Acids', 'Biogenic Amines', 'Biological Products', 'Cacao', 'Chromatography, Gas', 'Chromatography, High Pressure Liquid', 'Dietary Fats', 'Flavonoids', 'Phenols', 'Phytosterols', 'Polyphenols', 'Spectrophotometry, Ultraviolet']","['analysis', 'analysis', 'analysis', 'isolation & purification', 'chemistry', None, None, 'analysis', 'analysis', 'analysis', 'analysis', None, None]",,cocoa,0.3333333333333333,"['tyramine', 'dopamine', 'pyrroloquinoline quinine', 'theobromine', 'grated cocoa and cocoa butter', 'amino acids', 'leucin', 'fatty acids', 'proantocyanidins', 'caffeine', 'acids', 'phytosterins', 'PQQ', 'phenyl ethylamine']",1,14
27784867,"Discriminating vegetable oils and animal and milk fats by infrared absorption spectroscopy is difficult due to similarities in their spectral patterns. Therefore, a rapid and simple method for analyzing vegetable oils, animal fats, and milk fats using TOF/MS with an APCI direct probe ion source was developed. This method enabled discrimination of these oils and fats based on mass spectra and detailed analyses of the ions derived from sterols, even in samples consisting of only a few milligrams. Analyses of the mass spectra of processed foods containing oils and milk fats, such as butter, cheese, and chocolate, enabled confirmation of the raw material origin based on specific ions derived from the oils and fats used to produce the final product.",Analysis of Processed Foods Containing Oils and Fats by Time of Flight Mass Spectrometry with an APCI Direct Probe.,"['Fats', 'Food Analysis', 'Food Handling', 'Mass Spectrometry', 'Plant Oils']","['analysis', 'methods', None, 'instrumentation', 'analysis']",,cocoa,0.08108108108108109,"['sterols', 'vegetable oils', 'butter']",1,3
25062492,"Theobroma cacao is a woody and recalcitrant plant with a very high level of interfering compounds. Standard protocols for protein extraction were proposed for various types of samples, but the presence of interfering compounds in many samples prevented the isolation of proteins suitable for two-dimensional gel electrophoresis (2-DE). An efficient method to extract root proteins for 2-DE was established to overcome these problems. The main features of this protocol are: i) precipitation with trichloroacetic acid/acetone overnight to prepare the acetone dry powder (ADP), ii) several additional steps of sonication in the ADP preparation and extractions with dense sodium dodecyl sulfate and phenol, and iii) adding two stages of phenol extractions. Proteins were extracted from roots using this new protocol (Method B) and a protocol described in the literature for T. cacao leaves and meristems (Method A). Using these methods, we obtained a protein yield of about 0.7 and 2.5 mg per 1.0 g lyophilized root, and a total of 60 and 400 spots could be separated, respectively. Through Method B, it was possible to isolate high-quality protein and a high yield of roots from T. cacao for high-quality 2-DE gels. To demonstrate the quality of the extracted proteins from roots of T. cacao using Method B, several protein spots were cut from the 2-DE gels, analyzed by tandem mass spectrometry, and identified. Method B was further tested on Citrus roots, with a protein yield of about 2.7 mg per 1.0 g lyophilized root and 800 detected spots. ",Efficient method of protein extraction from Theobroma cacao L. roots for two-dimensional gel electrophoresis and mass spectrometry analyses.,"['Acetone', 'Cacao', 'Electrophoresis, Gel, Two-Dimensional', 'Liquid-Liquid Extraction', 'Mass Spectrometry', 'Meristem', 'Phenol', 'Plant Leaves', 'Plant Proteins', 'Plant Roots', 'Sodium Dodecyl Sulfate', 'Solvents', 'Sonication', 'Trichloroacetic Acid']","[None, 'chemistry', None, 'methods', None, 'chemistry', None, 'chemistry', 'chemistry', 'chemistry', None, None, None, None]",0.0,cocoa,0.11428571428571428,"['trichloroacetic acid/acetone', 'ADP', 'phenol', 'sodium dodecyl sulfate', 'Theobroma cacao', 'acetone dry']",1,8
9246735,"Oral carbohydrate clearance and acid production were monitored over a two hour time period following the ingestion of six foods (chocolate bar, potato chip, oreo cookie, sugar cube, raisin and jelly bean). Each food was evaluated intra-orally in eight volunteers. Oral fluid samples were obtained from each volunteer at 30 min intervals at five different tooth sites using absorbent paper points. The oral fluid samples were analyzed qualitatively and quantitatively for carbohydrates and organic acids using high performance liquid chromatography. Data obtained for each food were averaged and subjected to statistical analysis. The quantity of lactic acid produced 30 min after ingestion was found to be in the following order: (highest) raisin > chocolate bar > sugar cube > jelly bean > oreo cookie > potato chip (least). Two hours after food intake the order had changed significantly: potato chip > jelly bean > sugar cube > chocolate bar > oreo cookie > raisin. A direct linear relationship existed between lactic acid production and the presence of glucose. In foods containing cooked starch prolonged clearance occurs via the intermediate metabolites maltotriose, maltose and glucose. Results indicated that the term 'stickiness', when used to label certain foods such as jelly bean and chocolate bar, should be used cautiously. Foods containing only cooked starch or cooked starch and sugars can be considered as 'sticky', since glucose arising from their intra-oral degradation contributed to acid production over prolonged periods of time.",Intra-oral lactic acid production during clearance of different foods containing various carbohydrates.,"['Adult', 'Cacao', 'Chromatography, High Pressure Liquid', 'Dietary Carbohydrates', 'Dietary Sucrose', 'Fruit', 'Humans', 'Kinetics', 'Lactates', 'Saliva', 'Solanum tuberosum', 'Time Factors']","[None, None, None, 'metabolism', 'metabolism', None, None, None, 'metabolism', 'chemistry', None, None]",,cocoa,0.1348314606741573,"['maltotriose', 'lactic acid', 'carbohydrates', 'glucose', 'maltose', 'sugars', 'carbohydrate', 'between lactic acid', 'acid', 'acids']",1,12
12621878,"The content of fat and fatty acids in 13 selected snack products (nuts and seeds) purchased on the marked in Warsaw region in 2000 have been investigated. The content of fat in examined products varied from 41% to 68%. The fat of nuts and seeds was rich in unsaturated fatty acids, except cocoa product.",[The content of fat and fatty acids in selected snack products (nuts and seeds)].,"['Chromatography, Gas', 'Dietary Fats, Unsaturated', 'Fatty Acids, Unsaturated', 'Humans', 'Nuts', 'Poland', 'Seeds']","[None, 'analysis', 'analysis', None, 'chemistry', None, 'chemistry']",,cocoa,0.17647058823529413,"['nuts', 'unsaturated fatty acids', 'fatty acids']",1,3
16019834,"The aim of this study was to investigate the influence of the shelling process on the presence of ochratoxin A (OTA) in cocoa samples. Twenty-two cocoa samples were analysed for the determination of OTA before (cocoa bean) and after undergoing manual shelling process (cocoa nib). In order to determine OTA contamination in cocoa samples, a validated high-performance liquid chromatography (HPLC) method with fluorescence detection was used for the quantitative analysis of ochratoxin A (OTA). In both types of samples, OTA was extracted with methanol-3% sodium hydrogen carbonate solution and then purified using immunoaffinity columns prior to HPLC analysis. Due to the fact that different recovery values were obtained for OTA from both types of samples, a revalidation of the method in the case of cocoa nibs was needed. Revalidation was based on the following criteria: Selectivity, limits of detection and quantification (0.03 and 0.1 microg kg(-1), respectively), precision (within-day and between-day variability) and recovery 84.2% (RSD = 7.1%), and uncertainty (30%). Fourteen of the twenty-two cocoa bean samples (64%) suffered a loss of OTA of more than 95% due to shelling, six samples suffered a loss of OTA in the range 65-95%, and only one sample presented a reduction of less than 50%. The principal conclusion derived from this study is that OTA contamination in cocoa beans is concentrated in the shell; therefore, improvements of the industrial shelling process could prevent OTA occurrence in cocoa final products.",Occurrence of ochratoxin A in cocoa beans: effect of shelling.,"['Cacao', 'Chromatography, High Pressure Liquid', 'Food Analysis', 'Food Contamination', 'Food Handling', 'Ochratoxins']","['chemistry', 'methods', 'methods', 'analysis', 'methods', 'analysis']",,cocoa,0.09210526315789473,"['ochratoxin A', 'OTA', 'sodium hydrogen carbonate']",1,7
15264891,"An improved sample preparation (extraction and cleanup) is presented that enables the quantification of low levels of acrylamide in difficult matrixes, including soluble chocolate powder, cocoa, coffee, and coffee surrogate. Final analysis is done by isotope-dilution liquid chromatography-electrospray ionization tandem mass spectrometry (LC-MS/MS) using d3-acrylamide as internal standard. Sample pretreatment essentially encompasses (a) protein precipitation with Carrez I and II solutions, (b) extraction of the analyte into ethyl acetate, and (c) solid-phase extraction on a Multimode cartridge. The stability of acrylamide in final extracts and in certain commercial foods and beverages is also reported. This approach provided good performance in terms of linearity, accuracy and precision. Full validation was conducted in soluble chocolate powder, achieving a decision limit (CCalpha) and detection capability (CCbeta) of 9.2 and 12.5 microg/kg, respectively. The method was extended to the analysis of acrylamide in various foodstuffs such as mashed potatoes, crisp bread, and butter biscuit and cookies. Furthermore, the accuracy of the method is demonstrated by the results obtained in three inter-laboratory proficiency tests.","Improved sample preparation to determine acrylamide in difficult matrixes such as chocolate powder, cocoa, and coffee by liquid chromatography tandem mass spectroscopy.","['Acrylamide', 'Cacao', 'Chromatography, Liquid', 'Coffee', 'Drug Stability', 'Mass Spectrometry']","['analysis', 'chemistry', 'methods', 'chemistry', None, 'methods']",1.0,cocoa,0.08064516129032258,"['acrylamide', 'ethyl acetate', 'd3-acrylamide']",1,5
1479781,"The qualitative and quantitative analytical methods were proposed for the simple and rapid determination of triacetin (TAc) in commercial gummy candies and other foodstuffs by gas chromatography (GC), thin layer chromatography (TLC) and infrared spectroscopy (IR). Each extract from the samples was obtained by pretreatment of the foodstuffs as follows: (A) Gummy candy was dissolved in warm water and the solution was extracted with chloroform. The organic (chloroform) layer was separated. (B) Samples (such as ice cream) containing substantial water were mixed with anhydrous Na2SO4 and stirred to sandy appearance and dried. The residue was homogenized with ether, followed by centrifuging, and the organic (ether) layer was separated. (C) Dried samples (such as chocolate and cookie) were smashed, homogenized with ether, and followed by centrifuging, and the organic (ether) layer was separated. (D) Candy was dissolved in warm water and the solution was extracted with ether. The organic (ether) layer was separated. Each organic layer from (A)-(D) was washed with 10% NaHCO3 and evaporated. The residue containing TAc was dissolved in dichloromethane. The extract obtained was subjected to column chromatography on silica gel. The fractions containing TAc were employed in GC with 25% PEG-20M column, TLC, and IR analyses. Recovery of TAc from gummy candy was 99.1 +/- 3.0% and those from other foodstuffs ranged from was 82.1 to 99.4% by GC. Detection limit by this method was 10 ppm. TAc was found to contain at a level as high as 550 ppm in one domestic gummy candy. On the other hand, one imported gummy candy contained no more than 20 ppm of TAc gummy candy.",Triacetin as food additive in gummy candy and other foodstuffs on the market.,"['Beverages', 'Cacao', 'Candy', 'Chromatography, Gas', 'Chromatography, Thin Layer', 'Food Additives', 'Food Analysis', 'Ice Cream', 'Solvents', 'Spectrophotometry, Infrared', 'Triacetin']","['analysis', 'chemistry', 'analysis', None, None, 'analysis', None, 'analysis', None, None, 'analysis']",,cocoa,0.1797752808988764,"['cream', 'TAc', 'dichloromethane', 'anhydrous Na2SO4', 'chloroform', 'TAc gummy candy', 'triacetin', 'foodstuffs', 'D) Candy', 'NaHCO3', 'ether']",1,16
19007497,"A reverse-phase liquid chromatography analysis is used to access the quantity of theobromine, (+)-catechin, caffeine, and (-)-epicatechin in Standard Reference Material 2384 Baking Chocolate, cocoa, cocoa beans, and cocoa butter using water or a portion of the mobile phase as the extract. The procedure requires minimal sample preparation. Theobromine, (+)-catechin, caffeine, and (-)-epicatechin are detected by UV absorption at 273 nm after separation using a 0.3% acetic acid-methanol gradient (volume fractions) and quantified using external standards. The limit of detection for theobromine, (+)-catechin, caffeine, and (-)-epicatechin averages 0.08, 0.06, 0.06, and 0.06 microg/mL, respectively. The method when applied to Standard Reference Material 2384 Baking Chocolate; baking chocolate reference material yields results that compare to two different, separate procedures. Theobromine ranges from 26000 mg/kg in cocoa to 140 mg/kg in cocoa butter; (+)-catechin from 1800 mg/kg in cocoa to below detection limits of < 32 mg/kg in cocoa butter; caffeine from 2400 mg/kg in cocoa to 400 mg/kg in cocoa butter, and (-)-epicatechin from 3200 mg/kg in cocoa to BDL, < 27 mg/kg, in cocoa butter. The mean recoveries from cocoa are 102.4 +/- 0.6% for theobromine, 100.0 +/- 0.6 for (+)-catechin, 96.2 +/- 2.1 for caffeine, and 106.2 +/- 1.7 for (-)-epicatechin.","Simultaneous determination of theobromine, (+)-catechin, caffeine, and (-)-epicatechin in standard reference material baking chocolate 2384, cocoa, cocoa beans, and cocoa butter.","['Cacao', 'Caffeine', 'Catechin', 'Chromatography, High Pressure Liquid', 'Dietary Fats', 'Reproducibility of Results', 'Theobromine']","['chemistry', 'analysis', 'analysis', None, 'analysis', None, 'analysis']",,cocoa,0.359375,"['Theobromine', 'cocoa butter', 'theobromine', 'acetic acid-methanol', '(+)-catechin', 'caffeine', '(-)-epicatechin']",1,23
3391947,"A method for the quantitative determination of monoethylene glycol (MEG) and diethylene glycol (DEG) in chocolate is described. The procedure involves dissolving the chocolate in hot water, defatting with hexane, removing sugars by precipitation, and analyzing as trimethylsilyl (TMS) ether derivatives by capillary gas chromatography. The use of butan-1,4-diol as an internal standard corrects for recovery, which is between 50 and 60%, to give a relative standard deviation of 10-11% for the determination of both glycols at the level of 50 mg/kg. The presence of MEG and DEG in chocolate is confirmed by full scanning gas chromatography/mass spectrometry of the TMS derivatives.",Gas chromatographic determination of monoethylene glycol and diethylene glycol in chocolate packaged in regenerated cellulose film.,"['Cacao', 'Cellulose', 'Chromatography, Gas', 'Ethylene Glycol', 'Ethylene Glycols', 'Food Handling', 'Food Preservation', 'Plants, Edible', 'Solvents']","['analysis', 'analysis', None, None, 'analysis', None, None, 'analysis', None]",,cocoa,0.2647058823529412,"['monoethylene glycol', 'TMS) ether', 'glycols', 'sugars', 'hexane', 'DEG', 'diethylene glycol', 'trimethylsilyl']",1,9
730638,"A method for determining aflatoxins by high pressure liquid chromatography (HPLC) with fluorescence detection after CB extraction and cleanup has been applied to various foods. Recoveries at 1--15 ppb levels from green coffee and peanut butter was 72--85 and 74--104%, respectively. Precision of the method has been tested for peanut butter. Other products to which the method has been successfully applied include tree nuts, seeds, grains, chocolate-covered peanut butter candy, and roasted, salted-in-shell peanuts. High levels of aflatoxins found in several samples of nuts by this method have been verified by the official thin layer chromatographic (TLC) method. The advantages of this HPLC method are speed, precision, sensitivity, selectivity, and immediate chemical confirmation of aflatoxins B1 and G1. None of the products analyzed required special cleanup procedures. Preparative-scale HPLC was used to isolate purified B1 for toxicity testing.",Reverse phase high pressure liquid chromatographic determination of aflatoxins in foods.,"['Aflatoxins', 'Arachis', 'Chromatography, High Pressure Liquid', 'Food Analysis']","['analysis', 'analysis', 'methods', None]",,cocoa,0.13333333333333333,"['aflatoxins B1', 'CB', 'aflatoxins', '-104', 'green coffee and peanut butter']",1,6
27418182,"Fast methods for the extraction and analysis of various secondary metabolites from cocoa products were developed and optimized regarding speed and separation efficiency. Extraction by pressurized liquid extraction is automated and the extracts are analyzed by rapid reversed-phase ultra high-performance liquid chromatography and normal-phase high-performance liquid chromatography methods. After extraction, no further sample treatment is required before chromatographic analysis. The analytes comprise monomeric and oligomeric flavanols, flavonols, methylxanthins, N-phenylpropenoyl amino acids, and phenolic acids. Polyphenols and N-phenylpropenoyl amino acids are separated in a single run of 33 min, procyanidins are analyzed by normal-phase high-performance liquid chromatography within 16 min, and methylxanthins require only 6 min total run time. A fourth method is suitable for phenolic acids, but only protocatechuic acid was found in relevant quantities. The optimized methods were validated and applied to 27 dark chocolates, one milk chocolate, two cocoa powders and two food supplements based on cocoa extract. ",Fast and comprehensive analysis of secondary metabolites in cocoa products using ultra high-performance liquid chromatography directly after pressurized liquid extraction.,"['Cacao', 'Chemical Fractionation', 'Chromatography, High Pressure Liquid', 'Plant Extracts', 'Polyphenols', 'Secondary Metabolism']","['chemistry', 'methods', 'methods', 'analysis', 'chemistry', None]",1.0,cocoa,0.19148936170212766,"['protocatechuic acid', 'phenolic acids', 'flavonols', 'N-phenylpropenoyl amino acids', 'acids', 'flavanols', 'cocoa extract', 'procyanidins']",1,9
8896285,"A high intake of trans fatty acids in children may be disadvantageous because of untoward effects on lipoprotein metabolism and a possible impairment of arachidonic acid synthesis. We measured the trans fatty acid content of different brands of spreads and cold cuts typically consumed by German children because these foods may contribute a considerable portion of total trans fatty acid intake. The highest trans fatty acid contents were found in regular margarines (4.5, 0.0-10.6; median %-wt/wt of fatty acids, minimal-maximal), chocolate spreads (5.5, 0.7-11.1), butter (4.7, 3.7-5.2) and cheese (3.6, 1.8-4.0), while lower values were present in diet margarines (0.2, 0.0-0.4), vegetarian spreads (0.2, 0.1-0.4), peanut butter (0.0, 0.0-0.3) and sausages (1.7, 0.6-6.4). Calculations of typical dietary plans for young children show that food selection and variations in trans fatty acid contents may lead to marked differences in daily trans intake of > 100% (3.1 g/d vs. 1.5 g/d). We propose that trans fatty acid content should be declared on labels of fatty food products to enable the consumer to choose, and further attempts should be made to lower trans fatty acid formation during technical hydrogenation.",Trans fatty acid contents in spreads and cold cuts usually consumed by children.,"['Animals', 'Arachis', 'Butter', 'Cacao', 'Cheese', 'Child', 'Chromatography, Gas', 'Dairy Products', 'Dietary Fats', 'Esterification', 'Fatty Acids', 'Humans', 'Margarine', 'Meat Products']","[None, 'chemistry', 'analysis', 'chemistry', 'analysis', None, None, 'analysis', 'analysis', None, 'analysis', None, 'analysis', 'analysis']",,cocoa,0.23529411764705882,"['arachidonic acid', 'fatty acids', 'margarines', 'fatty acid', 'butter']",1,12
28207258,"Cocoa is known as an important source of flavan-3-ols, but their fate ""from the bean to the bar"" is not yet clear. Here, procyanidin A2 found in native cocoa beans (9-13 mg/kg) appeared partially epimerized into A2","Procyanidin A2 and Its Degradation Products in Raw, Fermented, and Roasted Cocoa.","['Cacao', 'Catechin', 'Cooking', 'Fermentation', 'Mass Spectrometry', 'Molecular Structure', 'Plant Extracts', 'Proanthocyanidins', 'Seeds']","['chemistry', 'chemistry', None, None, None, None, 'chemistry', 'chemistry', 'chemistry']",1.0,cocoa,0.3,"['Cocoa', 'procyanidin', 'flavan-3-ols']",1,3
19753497,"We report the migration potential of newly patented low-migration offset printing inks from cardboard food packaging and estimate the potential risk of their migration into food. The complete printing formulation was available and, due to the fact that the solvent compounds in these inks differ from those used in conventional printing inks, the investigation focused on these solvents. Instead of containing mineral and vegetable oils, the low-migration printing inks are based on a novel fatty acid ester. The migration of this alternative solvent was investigated according to DIN EN 14338 in Tenax simulant and in different types of food. For specific detection of the fatty acid ester, LC-MS/MS (APCI) was chosen due to its higher sensitivity and selectivity than GC/MS. Printed packaging materials from three different commercially available food products (meat, chocolate and sweets) were tested. Migration of the fatty acid ester from the packaging into simulants was analysed. For food samples, a clean-up method based on solid-phase extraction was developed and migration of the fatty acid ester into meat, chocolate and sweets was also demonstrated. Levels of contamination of these foods were between 5 and 80 microg fatty acid ester/kg, but levels in food were lower than those in simulants.",Migration of novel offset printing inks from cardboard packaging into food.,"['Diffusion', 'Food Analysis', 'Food Contamination', 'Food Packaging', 'Humans', 'Ink', 'Risk Assessment', 'Tandem Mass Spectrometry']","[None, 'methods', 'analysis', 'standards', None, None, 'methods', 'methods']",0.0,cocoa,0.09523809523809523,"['DIN', 'fatty acid ester', 'fatty acid']",1,6
16843047,"Highly sensitive and interference-free sensitized spectrophotometric method for the determination of Ni(II) ions is described. The method is based on the reaction between Ni(II) ion and benzyl dioxime in micellar media in the presence of sodium dodecyl sulfate (SDS). The absorbance is linear from 0.1 up to 25.0 microg mL-1 in aqueous solution with repeatability (RSD) of 1.0% at a concentration of 1 microg mL-1 and a detection limit of 0.12 ng mL-1 and molar absorption coefficient of 68,600L mol-1 cm-1. The influence of reaction variables including type and amount of surfactant, pH, and amount of ligand and complexation time and the effect of interfering ions are investigated. The proposed procedure was applied to the determination of trace amounts of Ni(II) ion in tap water, river water, chocolate and vegetable without separation or organic solvent extraction.",Selective and sensitized spectrophotometric determination of trace amounts of Ni(II) ion using alpha-benzyl dioxime in surfactant media.,"['Cations, Divalent', 'Food Analysis', 'Ligands', 'Nickel', 'Oximes', 'Sensitivity and Specificity', 'Sodium Dodecyl Sulfate', 'Spectrophotometry', 'Surface-Active Agents']","['analysis', 'methods', None, 'analysis', 'chemistry', None, 'chemistry', None, 'chemistry']",0.0,cocoa,0.04081632653061224,"['sodium dodecyl sulfate', 'benzyl']",1,2
24446916,"The occurrence of the bioactive components caffeine (xanthine alkaloid), myosmine and nicotine (pyridine alkaloids) in different edibles and plants is well known, but the content of myosmine and nicotine is still ambiguous in milk/dark chocolate. Therefore, a sensitive method for determination of these components was established, a simple separation of the dissolved analytes from the matrix, followed by headspace solid-phase microextraction coupled with gas chromatography-tandem mass spectrometry (HS-SPME-GC-MS/MS). This is the first approach for simultaneous determination of caffeine, myosmine, and nicotine with a convenient SPME technique. Calibration curves were linear for the xanthine alkaloid (250 to 3000 mg/kg) and the pyridine alkaloids (0.000125 to 0.003000 mg/kg). Residuals of the calibration curves were lower than 15%, hence the limits of detection were set as the lowest points of the calibration curves. The limits of detection calculated from linearity data were for caffeine 216 mg/kg, for myosmine 0.000110 mg/kg, and for nicotine 0.000120 mg/kg. Thirty samples of 5 chocolate brands with varying cocoa contents (30% to 99%) were analyzed in triplicate. Caffeine and nicotine were detected in all samples of chocolate, whereas myosmine was not present in any sample. The caffeine content ranged from 420 to 2780 mg/kg (relative standard deviation 0.1 to 11.5%) and nicotine from 0.000230 to 0.001590 mg/kg (RSD 2.0 to 22.1%). ","Determination of caffeine, myosmine, and nicotine in chocolate by headspace solid-phase microextraction coupled with gas chromatography-tandem mass spectrometry.","['Alkaloids', 'Beverages', 'Cacao', 'Caffeine', 'Calibration', 'Candy', 'Dairy Products', 'Food Contamination', 'Food Inspection', 'Food, Preserved', 'Gas Chromatography-Mass Spectrometry', 'Germany', 'Limit of Detection', 'Nicotine', 'Pigmentation', 'Solid Phase Microextraction', 'Tandem Mass Spectrometry', 'Volatilization']","['analysis', 'analysis', 'chemistry', 'analysis', None, 'analysis', 'analysis', None, 'methods', 'analysis', None, None, None, 'analysis', None, None, None, None]",0.0,cocoa,0.3384615384615385,"['headspace', 'pyridine alkaloids', 'Caffeine', 'pyridine', 'xanthine', 'caffeine', 'xanthine alkaloid', 'nicotine', 'varying cocoa contents', 'myosmine']",1,22
12926907,Sorghum procyanidins were characterized and quantified from two brown sorghum varieties and their processed products by normal phase HPLC with fluorescence detection. The DP of the procyanidins was determined by thiolysis. Quantification was done by using purified oligomeric and polymeric cocoa procyanidins as external standards. Sorghum procyanidins were composed mostly of high MW (DP > 10) polymers. Significant differences were observed in levels as well as distribution of the different MW procyanidins between the sorghums. Processing of the sorghum brans into cookies and bread significantly reduced the levels of procyanidins; this effect was more pronounced in the higher MW polymers. Cookies had a higher retention of procyanidins (42-84%) than bread (13-69%). Extrusion of sorghum grain resulted in an increase in the levels of procyanidin oligomers with DP </= 4 and decrease in polymers with DP >/= 6. This suggests a possible breakdown of the high MW polymers to the lower MW constituents during extrusion. Processing changes not only the content of procyanidins in sorghum products but also the relative ratio of the different molecular weights.,Processing of sorghum (Sorghum bicolor) and sorghum products alters procyanidin oligomer and polymer distribution and content.,"['Biflavonoids', 'Bread', 'Catechin', 'Chromatography, High Pressure Liquid', 'Food Handling', 'Hot Temperature', 'Molecular Weight', 'Poaceae', 'Polymers', 'Proanthocyanidins']","[None, 'analysis', 'analysis', None, None, None, None, 'chemistry', 'analysis', None]",1.0,cocoa,0.171875,"['cocoa procyanidins', 'procyanidin', '/=', 'procyanidins']",1,11
25494681,"Acrylamide (AA) levels in conventional (n = 112) and traditional (n = 43) Colombian foods were analysed by gas chromatography with mass spectrometry (GC/MS) detection. Samples included: infant powdered formula, coffee and chocolate powders, corn snacks, bakery products and tuber-, meat- and vegetable-based foods. There was a wide variability in AA levels among different foods and within different brands of the same food, especially for coffee powder, breakfast cereals biscuits and French fries samples. Among the conventional foods tested, the highest mean AA value was found in bakery products, such as biscuit (1104 _µg kg(-1)) and wafer (1449 _µg kg(-1)), followed by potato chips (916 _µg kg(-1)). On the other hand, among the traditional foods, higher AA amounts were detected in fried platano (2813 _µg kg(-1)) and yuca (3755 _µg kg(-1)) compared to other products. Interestingly, the arepa, a traditional Colombian bakery product made with corn flour, showed a lower AA content (< 75 _µg kg(-1)) when compared with similar bakery products tested, such as soft bread (102-594 _µg kg(-1)), which is a made with wheat flour.",Acrylamide levels in selected Colombian foods.,"['Acrylamide', 'Coffee', 'Colombia', 'Food Contamination', 'Gas Chromatography-Mass Spectrometry', 'Humans', 'Infant', 'Infant Formula']","['analysis', 'chemistry', None, 'analysis', 'methods', None, None, 'chemistry']",0.0,cocoa,0.06666666666666667,"['Acrylamide', 'AA']",1,4
26138682,"With the revision of the European Tobacco Products Directive (2014/40/EU), characterizing flavors such as strawberry, candy, vanillin or chocolate will be prohibited in cigarettes and fine-cut tobacco. Product surveillance will therefore require analytical means to define and subsequently detect selected characterizing flavors that are formed by supplemented flavors within the complex matrix tobacco. We have analyzed strawberry-flavored tobacco products as an example for characterizing fruit-like aroma. Using this approach, we looked into aroma components to find indicative patterns or features that can be used to satisfy obligatory product information as requested by the European Directive. Accordingly, a headspace solid-phase microextraction (HS-SPME) technique was developed and coupled to subsequent gas chromatography-mass spectrometry (GC/MS) to characterize different strawberry-flavored tobacco products (cigarettes, fine-cut tobacco, liquids for electronic cigarettes, snus, shisha tobacco) for their volatile additives. The results were compared with non-flavored, blend characteristic flavored and other fruity-flavored cigarettes, as well as fresh and dried strawberries. Besides different esters and aldehydes, the terpenes linalool, _±-terpineol, nerolidol and limonene as well as the lactones __-decalactone, __-dodecalactone and __-undecalactone could be verified as compounds sufficient to convey some sort of strawberry flavor to tobacco. Selected flavors, i.e., limonene, linalool, _±-terpineol, citronellol, carvone and __-decalactone, were analyzed further with respect to their stereoisomeric composition by using enantioselective HS-SPME-GC/MS. These experiments confirmed that individual enantiomers that differ in taste or physiological properties can be distinguished within the tobacco matrix. By comparing the enantiomeric composition of these compounds in the tobacco with that of fresh and dried strawberries, it can be concluded that non-natural strawberry aroma is usually used to produce strawberry-flavored tobacco products. Such authenticity control can become of interest particularly when manufacturers claim that natural sources were used for flavoring of products. Although the definition of characterizing flavors by analytical means remains challenging, specific compounds or features are required to be defined for routine screening of reported information. Clarifications by sensory testing might still be necessary, but could be limited to a few preselected samples. ",Toward the stereochemical identification of prohibited characterizing flavors in tobacco products: the case of strawberry flavor.,"['European Union', 'Flavoring Agents', 'Fragaria', 'Gas Chromatography-Mass Spectrometry', 'Government Regulation', 'Marketing', 'Solid Phase Microextraction', 'Stereoisomerism', 'Tobacco', 'Tobacco Products', 'Volatile Organic Compounds']","[None, 'analysis', 'chemistry', None, None, 'legislation & jurisprudence', None, None, 'chemistry', 'analysis', 'analysis']",0.0,cocoa,0.19387755102040816,"['HS-SPME', 'strawberries', 'headspace', '__-dodecalactone', 'strawberry flavor', '__-decalactone', 'strawberry', 'esters', 'non-natural strawberry aroma', 'aldehydes', 'limonene', 'citronellol', 'carvone', 'terpenes linalool', 'linalool', 'nerolidol', '__-undecalactone']",1,19
16009604,"A high-performance liquid chromatography (HPLC) method to determine malondialdehyde (MDA) as the 2,4-dinitrophenylhydrazine (DNPH) derivative was applied to biological samples (serum and liver homogenates). Since MDA is considered a presumptive biomarker for lipid peroxidation in live organisms, a model for nutritionally induced oxidative stress (hypercholesterolemic rats) was studied in comparison with normocholesterolemic animals. The effect of diet supplementation with fruits rich in antioxidant polyphenols was assessed. The proposed method showed to be precise and reproducible, as well as sensitive enough to reflect differences in the oxidative status in vivo. A significant decrease of serum and liver MDA concentrations in animals fed diets containing 0.3% of polyphenols from strawberry, cocoa or plum was observed in the normocholesterolemic groups. This reduction was especially noteworthy in the hypercholesterolemic animals, with increased MDA levels indicating enhanced lipid peroxidation in the controls, yet with values parallel to the normocholesterolemic groups in animals fed the polyphenol-rich diets. These results point out the beneficial effects of phenolic antioxidants from fruits in preventing oxidative damage in vivo.",Determination of malondialdehyde (MDA) by high-performance liquid chromatography in serum and liver as a biomarker for oxidative stress. Application to a rat model for hypercholesterolemia and evaluation of the effect of diets rich in phenolic antioxidants from fruits.,"['Animals', 'Antioxidants', 'Biomarkers', 'Chromatography, High Pressure Liquid', 'Diet', 'Disease Models, Animal', 'Fruit', 'Hypercholesterolemia', 'Liver', 'Male', 'Malondialdehyde', 'Oxidative Stress', 'Phenols', 'Rats', 'Rats, Wistar']","[None, 'administration & dosage', 'analysis', 'methods', None, None, 'chemistry', 'blood', 'chemistry', None, 'analysis', 'physiology', 'administration & dosage', None, None]",0.0,cocoa,0.171875,"['malondialdehyde', 'polyphenols', 'strawberry', 'polyphenol-rich', '2,4-dinitrophenylhydrazine', 'MDA', 'DNPH']",1,11
11324613,"Eight collaborating laboratories assayed 7 blind duplicate pairs of foods for polydextrose content. The 7 test sample pairs ranged from low (2%) to high (95%) levels. The following foods were prepared with polydextrose mixed into the other ingredients and then baked, cooked, or otherwise prepared: milk chocolate candy, iced tea, sugar cookie, grape jelly, soft jellied candy, and powdered drink mix. Collaborators received a polydextrose standard to develop a calibration curve. The method determined polydextrose by ion chromatography, after removal of interfering food components (high molecular weight solubles). Repeatability standard deviations (RSDr) ranged from 3.93 to 9.04%; reproducibility standard deviations (RSDR) ranged from 4.48 to 14.06%. The average recovery was 94%.",Determination of polydextrose in foods by ion chromatography: collaborative study.,"['Algorithms', 'Beverages', 'Cacao', 'Candy', 'Chromatography, Ion Exchange', 'Food Analysis', 'Glucans', 'Indicators and Reagents', 'Reference Standards', 'Tea', 'Ultracentrifugation']","[None, 'analysis', 'chemistry', 'analysis', None, None, 'analysis', None, None, 'chemistry', None]",,cocoa,0.15151515151515152,"['polydextrose', 'solubles']",1,5
26041233,"Multi-element stable isotope ratios have been assessed as a means to distinguish between fermented cocoa beans from different geographical and varietal origins. Isotope ratios and percentage composition for C and N were measured in different tissues (cotyledons, shells) and extracts (pure theobromine, defatted cocoa solids, protein, lipids) obtained from fermented cocoa bean samples. Sixty-one samples from 24 different geographical origins covering all four continental areas producing cocoa were analyzed. Treatment of the data with unsupervised (Principal Component Analysis) and supervised (Partial Least Squares Discriminant Analysis) multiparametric statistical methods allowed the cocoa beans from different origins to be distinguished. The most discriminant variables identified as responsible for geographical and varietal differences were the __(15)N and __(13)C values of cocoa beans and some extracts and tissues. It can be shown that the isotope ratios are correlated with the altitude and precipitation conditions found in the different cocoa-growing regions. ","Multi-element, multi-compound isotope profiling as a means to distinguish the geographical and varietal origin of fermented cocoa (Theobroma cacao L.) beans.","['Cacao', 'Fermentation', 'Geography', 'Isotopes', 'Mass Spectrometry']","['chemistry', None, None, 'chemistry', 'methods']",2.0,cocoa,0.06896551724137931,"['theobromine', 'defatted cocoa solids', '__', 'cocoa beans']",1,4
2086709,"A simple method is described for the determination of molecular species of enantiomeric sn-1,2- and sn-2,3-diacylglycerols derived from natural triacylglycerols by Grignard degradation. The method is based on a preparative separation of the enantiomeric diacylglycerols as 3,5-dinitrophenylurethane (DNPU) derivatives by high performance liquid chromatography (HPLC) on a chiral column (25 cm x 4.6 mm ID) containing R-(+)-1-(1-naphthyl)ethylamine as a stationary phase. This is followed by polar capillary gas-liquid chromatography (GLC) of the trimethylsilyl (TMS) ether derivatives of the enantiomeric diacylglycerols derived from the DNPU derivatives using trichlorosilane, which does not cause acyl migration and racemization during the reaction. The cleavage is better than 94% complete. The method was standardized with synthetic sn-1,2- and sn-2,3-dipalmitoyl- and rac-1,2-dioleoylglycerols and was applied to the identification and quantitation of individual molecular species of enantiomeric diacylglycerols generated by Grignard degradation of the triacylglycerols from corn oil, cocoa butter, and lard.",Determination of molecular species of enantiomeric diacylglycerols by chiral phase high performance liquid chromatography and polar capillary gas-liquid chromatography.,"['Chromatography, Gas', 'Chromatography, High Pressure Liquid', 'Diglycerides', 'Kinetics', 'Stereoisomerism', 'Triglycerides']","['methods', 'methods', 'analysis', None, None, 'analysis']",0.0,cocoa,0.20454545454545456,"['GLC', 'TMS) ether', 'enantiomeric diacylglycerols', 'triacylglycerols', 'diacylglycerols', 'trimethylsilyl', 'sn-2,3-dipalmitoyl-']",1,9
2613804,"The enantiomers of salsolinol were completely separated as diastereoisomeric derivatives, after reaction with S-1-(1-naphthyl)ethyl isothiocyanate, by reversed-phase high-performance liquid chromatography and quantified by electrochemical detection. Good calibration curves were obtained for the quantification and determination of the enantiomeric composition of salsolinol in human urine. The sensitivity and specificity to the assay also permit the determination of the enantiomeric composition of salsolinol in food such as dried bananas and chocolate.",Determination of the enantiomeric composition of salsolinol in biological samples by high-performance liquid chromatography with electrochemical detection.,"['Cacao', 'Chromatography, High Pressure Liquid', 'Electrochemistry', 'Fruit', 'Humans', 'Isoquinolines', 'Stereoisomerism']","['analysis', None, None, 'analysis', None, 'analysis', None]",,cocoa,0.16,"['salsolinol', 'isothiocyanate']",1,4
10367386,"An immunoaffinity column was prepared from rabbit polyclonal antiserum for the determination of peanut protein from food matrixes. The anti-peanut immunoglobulin G was isolated from antiserum by affinity chromatography on a column coupled with peanut protein and then attached to an AminoLink gel. The column was applied to the determination of peanut protein in chocolate after extraction, immunoaffinity chromatography, and enzyme-linked immunosorbent assay (ELISA). Overall recoveries from chocolate spiked with 0.2-3.2 micrograms/g of peanut protein averaged 77% (range, 72-84%), and the minimum detection limit was 0.1 microgram/g. Chromatography of extracts with the column improved detection limit and eliminated the matrix effect experienced with direct ELISA of chocolate extracts.",An immunoaffinity column for the determination of peanut protein in chocolate.,"['Animals', 'Arachis', 'Cacao', 'Chromatography, Affinity', 'Enzyme-Linked Immunosorbent Assay', 'Immunoassay', 'Immunoglobulin G', 'Plant Proteins', 'Rabbits', 'Reproducibility of Results']","[None, 'immunology', 'chemistry', 'methods', None, 'methods', None, 'analysis', None, None]",,cocoa,0.0,[],1,0
10995130,"Polydextrose (Litesse) provides physiological effects consistent with dietary fiber. However, AOAC methods for measuring total dietary fiber (TDF) in foods include an ethanol precipitation step in which polydextrose and similar carbohydrates are discarded and therefore not quantitated. This study describes a method developed to quantitate polydextrose in foods. The new method includes water extraction, centrifugal ultrafiltration, multienzyme hydrolysis, and anion exchange chromatography with electrochemical detection. Six foods were prepared with 4 levels of polydextrose to test the ruggedness of the method. Internal validation demonstrated the ruggedness of the method with recoveries ranging from 83 to 104% with an average of 95% (n = 24) and relative standard deviation of recoveries ranging from 0.7 to 13% with an average of 3.3% (n = 24). The value is added to that obtained for dietary fiber content of foods using the AOAC methods, to determine the TDF content of the food.",Determination of polydextrose as dietary fiber in foods.,"['Animals', 'Anions', 'Bacterial Proteins', 'Beverages', 'Cacao', 'Candy', 'Chromatography, Ion Exchange', 'Dietary Fiber', 'Ethanol', 'Food Analysis', 'Glucan 1,4-alpha-Glucosidase', 'Glucans', 'Glycoside Hydrolases', 'Humans', 'Hydrolysis', 'Isoamylase', 'Tea', 'Ultrafiltration']","[None, None, None, 'analysis', 'chemistry', 'analysis', None, 'analysis', None, None, 'metabolism', 'analysis', 'metabolism', None, None, 'metabolism', 'chemistry', None]",,cocoa,0.16279069767441862,"['carbohydrates', 'polydextrose', 'ethanol', 'TDF']",1,7
3398705,"This is the first report confirming the presence of 1,2,3,4-tetrahydroisoquinoline (TIQ) and 1-methyl-1,2,3,4-tetrahydroisoquinoline(1MeTIQ) in a number of foods with a high 2-phenylethylamine content. These compounds were determined by gas chromatography-mass spectrometry. This study also confirmed that 1MeTIQ and TIQ can cross the blood-brain barrier in rat. Thus, these compounds, suspected to have relation to parkinson's disease, may accumulate in the brain from food sources.",Presence of tetrahydroisoquinoline and 1-methyl-tetrahydro-isoquinoline in foods: compounds related to Parkinson's disease.,"['Animals', 'Blood-Brain Barrier', 'Brain', 'Cacao', 'Cheese', 'Chemical Phenomena', 'Chemistry', 'Food Analysis', 'Gas Chromatography-Mass Spectrometry', 'Isoquinolines', 'Male', 'Parkinson Disease', 'Phenethylamines', 'Rats', 'Rats, Inbred Strains', 'Tetrahydroisoquinolines', 'Wine']","[None, None, 'metabolism', 'analysis', 'analysis', None, None, None, None, 'analysis', None, 'etiology', 'analysis', None, None, None, 'analysis']",,cocoa,0.1875,"['TIQ', '2-phenylethylamine']",1,3
23931630,"Acyl migration is a serious problem in enzymatic modification of fats and oils, particularly in production of cocoa butter equivalent (CBE) through enzymatic acidolysis reaction, which leads to the formation of non-symmetrical triacylglycerols (TAGs) from symmetrical TAGs. Non-symmetrical TAGs may affect the physical properties of final products and are therefore often undesired. Consequently, an accurate method is needed to determine positional isomer TAGs during the production of CBE. A bidimentional high-performance liquid chromatography (HPLC) method with combination of non-aqueous reversed-phase HPLC and silver ion HPLC joining with an evaporative light scattering detector was successfully developed for the analysis of stereospecific TAGs. The best separation of positional isomer standards was obtained with a heptane/acetone mobile-phase gradient at 25 _C and 1 mL/min. The developed method was then used in multidimensional determination of the TAG positional isomers in fat and oil blends and successfully identified the TAGs and possible isomers in enzymatically acidolyzed CBE. ",Development of an offline bidimensional high-performance liquid chromatography method for analysis of stereospecific triacylglycerols in cocoa butter equivalents.,"['Chromatography, High Pressure Liquid', 'Dietary Fats', 'Isomerism', 'Triglycerides']","['instrumentation', 'analysis', None, 'chemistry']",0.0,cocoa,0.23076923076923078,"['heptane/acetone', 'cocoa butter', '_\x8dC', 'triacylglycerols', 'TAGs', 'non-aqueous', 'silver', 'TAG']",1,12
20543060,"Pectinolytic enzymes play an important role in cocoa fermentation. In this study, we characterized three extracellular pectate lyases (Pels) produced by bacilli isolated from fermenting cocoa beans. These enzymes, named Pel-22, Pel-66, and Pel-90, were synthesized by Bacillus pumilus BS22, Bacillus subtilis BS66, and Bacillus fusiformis BS90, respectively. The three Pels were produced under their natural conditions and purified from the supernatants using a one-step chromatography method. The purified enzymes exhibited optimum activity at 60 degrees C, and the half-time of thermoinactivation at this temperature was approximately 30 min. Pel-22 had a low specific activity compared with the other two enzymes. However, it displayed high affinity for the substrate, about 2.5-fold higher than those of Pel-66 and Pel-90. The optimum pHs were 7.5 for Pel-22 and 8.0 for Pel-66 and Pel-90. The three enzymes trans-eliminated polygalacturonate in a random manner to generate two long oligogalacturonides, as well as trimers and dimers. A synergistic effect was observed between Pel-22 and Pel-66 and between Pel-22 and Pel-90, but not between Pel-90 and Pel-66. The Pels were also strongly active on highly methylated pectins (up to 60% for Pel-66 and Pel-90 and up to 75% for Pel-22). Fe(2+) was found to be a better cofactor than Ca(2+) for Pel-22 activity, while Ca(2+) was the best cofactor for Pel-66 and Pel-90. The amino acid sequences deduced from the cloned genes showed the characteristics of Pels belonging to Family 1. The pel-66 and pel-90 genes appear to be very similar, but they are different from the pel-22 gene. The characterized enzymes form two groups, Pel-66/Pel-90 and Pel-22; members of the different groups might cooperate to depolymerize pectin during the fermentation of cocoa beans.",Biochemical properties of pectate lyases produced by three different Bacillus strains isolated from fermenting cocoa beans and characterization of their cloned genes.,"['Bacillus', 'Cacao', 'Calcium', 'Cations, Divalent', 'Chromatography', 'Cloning, Molecular', 'Coenzymes', 'DNA, Bacterial', 'Enzyme Stability', 'Hot Temperature', 'Hydrogen-Ion Concentration', 'Iron', 'Molecular Sequence Data', 'Pectins', 'Polysaccharide-Lyases', 'Protein Stability', 'Recombinant Proteins', 'Seeds', 'Sequence Analysis, DNA']","['enzymology', 'microbiology', 'metabolism', 'metabolism', 'methods', None, 'metabolism', 'chemistry', None, None, None, 'metabolism', None, 'metabolism', 'chemistry', None, 'genetics', 'microbiology', None]",0.0,cocoa,0.05555555555555555,"['pectins', 'polygalacturonate', 'amino acid', 'Pels', 'pectin']",1,5
1173811,"A method is described for the determination of total cholesterol in multicomponent foods and also other products such as nonfat dry milk, dried whole egg solids, and certain candy bars. The lipid is extracted from the sample by a mixed solvent and saponified. The unsaponifiable fraction which contains the cholesterol and other sterols is extracted with benzene. An aliquot is evaporated to dryness and the residue is dissolved in dimethylformamide. The sterols are derivatized to form trimethylsilyl (TMS) ethers. The TMS-cholesterol derivative is quantitatively determined by gas-liquid chromatography, using 5alpha-cholestane as an internal standard. Nine laboratories participated in a collaborative study of the determination of total cholesterol in deviled ham sandwich spread, vegetable beef stew, corned beef hash, frozen chicken pot pie, pizza pepperoni, fish sticks, breaded shrimp, chocolate-covered candy bars, dried whole egg solids, and nonfat dry milk and the results are reported here. The coefficient of variation ranged from 5.64 to 23.2%, with an average coefficient of variation of 14.8%.",Gas-liquid chromatographic determination of total cholesterol in multicomponent foods.,"['Animals', 'Candy', 'Cholesterol', 'Chromatography, Gas', 'Eggs', 'Food Analysis', 'Food-Processing Industry', 'Meat', 'Methods', 'Milk', 'Vegetables']","[None, 'analysis', 'analysis', None, 'analysis', None, None, 'analysis', None, 'analysis', 'analysis']",,cocoa,0.2222222222222222,"['benzene', 'dimethylformamide', 'TMS-cholesterol', 'cholesterol', 'sterols', 'trimethylsilyl', '5alpha-cholestane']",1,10
25772568,"A method has been developed for the specific and sensitive determination of Cr(VI) in foods. First, the interactions between Cr(VI) and the matrices were investigated by size-exclusion HPLC-ICP-MS (SEC-ICP-MS). Evidence was found for the complexation of Cr(VI) potentially present with the ligands. For__quantification of Cr(VI), the method was based on an alkaline extraction (NH4OH solution at pH__11.5) followed by Cr(VI) determination by anion-exchange HPLC-ICP-MS. Analytical performances of the method were satisfactory in terms of linearity, specificity, accuracy, repeatability, and intermediate precision. Detection limits ranged from 1 to 10____g/kg, depending on the matrices investigated. The method was then applied for the determination of Cr(VI) in several products (dairy products, flour, chocolate, vegetables, fruits, meat, fish, eggs, and beverages) from different brands and origins. Cr(VI) was found in none of the samples investigated. To further investigate the reason for this absence, a stability study of spiked Cr(VI) was therefore conducted. A semi-skimmed cow milk was selected for this study. Cr(VI) was shown to be unstable in this matrix with a degradation rate increasing with the temperature. ",Cr(VI) speciation in foods by HPLC-ICP-MS: investigation of Cr(VI)/food interactions by size exclusion and Cr(VI) determination and stability by ion-exchange on-line separations.,"['Chromatography, Gel', 'Chromatography, High Pressure Liquid', 'Chromatography, Ion Exchange', 'Chromium', 'Food Analysis', 'Food Contamination', 'Reproducibility of Results', 'Sensitivity and Specificity', 'Spectrometry, Mass, Electrospray Ionization']","[None, 'methods', 'methods', 'analysis', 'methods', 'analysis', None, None, 'methods']",0.0,cocoa,0.0,[],1,0
26829387,"Cocoa is an important ingredient for the chocolate industry and for many food products. However, it is prone to contamination by ochratoxin A (OTA), which is highly toxic and potentially carcinogenic to humans. In this work, four different extraction methods were tested and compared based on their recoveries. The best protocol was established which involves an organic solvent-free extraction method for the detection of OTA in cocoa beans using 1% sodium hydrogen carbonate (NaHCO3) in water within 30 min. The extraction method is rapid (as compared with existing methods), simple, reliable and practical to perform without complex experimental set-ups. The cocoa samples were freshly extracted and cleaned-up using immunoaffinity column (IAC) for HPLC analysis using a fluorescence detector. Under the optimised condition, the limit of detection (LOD) and limit of quantification (LOQ) for OTA were 0.62 and 1.25 ng ml(-1) respectively in standard solutions. The method could successfully quantify OTA in naturally contaminated samples. Moreover, good recoveries of OTA were obtained up to 86.5% in artificially spiked cocoa samples, with a maximum relative standard deviation (RSD) of 2.7%. The proposed extraction method could determine OTA at the level 1.5 _µg kg(-)(1), which surpassed the standards set by the European Union for cocoa (2 _µg kg(-1)). In addition, an efficiency comparison of IAC and molecular imprinted polymer (MIP) column was also performed and evaluated.",Evaluation of extraction methods for ochratoxin A detection in cocoa beans employing HPLC.,"['Cacao', 'Chromatography, High Pressure Liquid', 'Food Contamination', 'Food Handling', 'Ochratoxins']","['chemistry', None, 'analysis', None, 'analysis']",1.0,cocoa,0.1917808219178082,"['ochratoxin A', 'IAC', 'OTA', 'cocoa (2 _', 'MIP', 'Cocoa', 'sodium hydrogen carbonate', 'NaHCO3']",1,14
26675864,"A multi-residue method based on two different extraction procedures was developed and compared with liquid chromatography electrospray ionization tandem mass spectrometry analysis of eighteen water-soluble artificial colours including Tartrazine (E102), Chrysoine (E103), Quinoline Yellow (E104), Yellow 2G (E107), Sunset Yellow (E110), Azorubine (E122), Amaranth (E123), Ponceau 4R (E124), Erythrosine (E127), Red 2G (E128), Allura Red (E129), Patent Blue V (E131), Indigo Carmine (E132), Brilliant Blue (E133), Green S (E142), Fast Green (E143), Brilliant Black (E151), and Black 7984 (E152) in sugar and gummy confectionary, ice-cream, and chocolate sweets. Sample preparation included SPE clean-up and liquid-liquid extraction for ice-cream and chocolate sweets. Accuracy was evaluated by recovery experiments. Correlation between response and concentration was obtained with R(2)>0.98 for all but six colours. Limits of quantification were within the 10-50 __g/kg range for E129; 20-200 __g/kg for E152; 10-250 __g/kg for E103; 10-500 __g/kg for E102, E104, E107, E110, E122, E123, E124, E127, E128, E131, E133; 20-800 __g/kg for E132, 142, 151; and 10-1000 __g/kg for E143. CV for repeatability ranged from 4.0% to 51.0%, while the CV for intermediate reproducibility ranged from 5.8% to 41.4%. Finally, recoveries varied from 84.3% to 166.0%. Together, these demonstrate that the method has been validated for complex matrices and is, thus, fit-for-purpose.",Determination of 18 water-soluble artificial dyes by LC-MS in selected matrices.,"['Candy', 'Chromatography, High Pressure Liquid', 'Food Coloring Agents', 'Limit of Detection', 'Liquid-Liquid Extraction', 'Reproducibility of Results', 'Spectrometry, Mass, Electrospray Ionization', 'Tandem Mass Spectrometry']","['analysis', 'methods', 'analysis', None, None, None, None, None]",0.0,cocoa,0.18604651162790697,"['Tartrazine', 'Quinoline', 'Black 7984', 'Brilliant Blue', 'Erythrosine', 'Azorubine', 'Green S', 'E102', 'SPE', 'Indigo Carmine', 'Green', 'E104', 'Chrysoine', 'Ponceau']",1,16
27591614,"The (13)C/(12)C carbon isotope ratio is a chemical parameter with many important applications in several scientific area and the technique of choice currently used for the __(13)C determination is the isotope ratio mass spectrometry (IRMS). This latter is highly accurate (0.1__) and sensitive (up to 0.01__), but at the same time expensive and complex. The objective of this work was to assess the reliability of FTIR and NDIRS techniques for the measurement of carbon stable isotope ratio of food sample, in comparison to IRMS. IRMS, NDIRS and FTIR were used to analyze samples of food, such as oil, durum, cocoa, pasta and sugar, in order to determine the natural abundance isotopic ratio of carbon in a parallel way. The results were comparable, showing a close relationship among the three techniques. The main advantage in using FTIR and NDIRS is related to their cheapness and easy-to-operate in comparison to IRMS. ",FTIR and NDIR spectroscopies as valuable alternatives to IRMS spectrometry for the __(13)C analysis of food.,"['Carbon Isotopes', 'Chocolate', 'Dietary Sucrose', 'Flour', 'Food Analysis', 'Mass Spectrometry', 'Plant Oils', 'Spectrophotometry, Infrared', 'Starch']","['analysis', 'analysis', 'analysis', 'analysis', 'methods', 'methods', 'analysis', 'methods', 'analysis']",2.0,cocoa,0.10869565217391304,"['__', 'easy-to-operate', 'carbon']",1,5
19897953,"Pollution levels of toxic heavy metals (Pb, Cd, Hg) and arsenic in existing food additives used as food colors (40 samples of 15 kinds) were investigated. Heavy metals were detected in 8 samples; Pb in 1 sample (2.8 microg/g), Hg in 8 samples (0.1-3.4 microg/g) and arsenic in 2 samples (1.7, 2.6 microg/g). The Pb level in 1 sample of lac color (2.8 microg/g) exceeded the limit of 2 microg/g proposed by JECFA and Hg levels in 3 samples of cacao color (1.2-3.4 microg/g) exceeded the limit of 1 microg/g in the EU specification.",[Survey of toxic heavy metals and arsenic in existing food additives (natural colors)].,"['Arsenic', 'Cadmium', 'Food Analysis', 'Food Coloring Agents', 'Food Contamination', 'Lead', 'Mercury', 'Metals, Heavy', 'Spectrophotometry, Atomic']","['analysis', 'analysis', None, 'chemistry', 'analysis', 'analysis', 'analysis', 'analysis', 'methods']",,cocoa,0.13333333333333333,"['arsenic', 'Cd', 'cacao color']",1,4
19877640,"Organochlorine and organophosphate pesticides in corn muffin mix and cocoa beans were analyzed using disposable pipette extraction (DPX) for rapid cleanup followed by gas chromatography-mass spectrometry (GC-MS). The DPX method in this study used weak anion exchange (WAX) mechanisms to remove the major sample matrix interferences, fatty acids, from the chromatographic analyses. The limits of detection (LOD) were determined to be <10 ppb for all studied pesticides in corn muffin. DPX-WAX exhibited average recoveries reaching 100% for most targeted pesticides, with relative standard deviations below 10%. These results indicate that DPX with weak anion exchange sorbent is effective at eliminating fatty acid interferences in foods of high fat content prior to multiresidue pesticide analysis. Furthermore, the DPX cleanup method takes approximately 2 min to perform. In addition, removal of fatty acids from cocoa beans demonstrates the high capacity of this extraction method for samples containing up to 50% fat.",New approach to multiresidue pesticide determination in foods with high fat content using disposable pipette extraction (DPX) and gas chromatography-mass spectrometry (GC-MS).,"['Acetonitriles', 'Adsorption', 'Anion Exchange Resins', 'Cacao', 'Dietary Fats', 'Disposable Equipment', 'Fatty Acids', 'Food Analysis', 'Gas Chromatography-Mass Spectrometry', 'Hydrocarbons, Chlorinated', 'Organophosphates', 'Pesticide Residues', 'Reproducibility of Results', 'Seeds', 'Zea mays']","[None, None, None, 'chemistry', 'analysis', None, 'isolation & purification', 'instrumentation', 'methods', 'analysis', 'analysis', 'analysis', None, 'chemistry', 'chemistry']",0.0,cocoa,0.12244897959183673,"['organophosphate pesticides', 'fatty acids', 'WAX', 'fatty acid', 'Organochlorine']",1,6
18680942,"Ochratoxin A (OTA) is a mycotoxin produced by Aspergillus and Penicillium species, which contaminates cocoa among other food commodities. It has been previously demonstrated that the toxin is concentrated in cocoa shells. The aim of this study was to assay a simple chemical method for ochratoxin A reduction from naturally contaminated cocoa shells. In order to determine the efficiency of the method, a high-performance liquid chromatography method with fluorescence detection was set up beforehand and validated. Ochratoxin A was extracted from cocoa shells with methanol-3% sodium bicarbonate solution and then purified with immunoaffinity columns. The recovery attained was 88.7% (relative standard deviation = 6.36%) and the limits of detection and quantification were 0.06 and 0.2 kg/kg, respectively. For decontamination experiments, the solvent extractor ASE 200 was used. First, aqueous solutions of 2% sodium bicarbonate and potassium carbonate were compared under the same conditions (1,500 lb/in2 at 40 degrees C for 10 min). Higher ochratoxin A reduction was obtained with potassium carbonate (83 versus 27%). Then, this salt was used under different conditions of pressure, temperature, and time. The greatest ochratoxin A reduction was achieved with an aqueous potassium carbonate solution (2%), at 1,000 lb/in2 at 90 degrees C for 10 min. This method could probably be applicable to the cocoa industry because it is fast and relatively economic. From the point of view of human health, the use of potassium carbonate, partially eliminated by rinsing the sample with water, does not likely represent a risk for human health.",A simple chemical method reduces ochratoxin A in contaminated cocoa shells.,"['Cacao', 'Carbonates', 'Chromatography, High Pressure Liquid', 'Dose-Response Relationship, Drug', 'Fluorescence', 'Food Analysis', 'Food Contamination', 'Food Handling', 'Humans', 'Hydrostatic Pressure', 'Ochratoxins', 'Potassium', 'Temperature', 'Time Factors']","['chemistry', 'pharmacology', 'methods', None, None, None, 'analysis', 'methods', None, None, 'isolation & purification', 'pharmacology', None, None]",,cocoa,0.18840579710144928,"['ochratoxin A', 'OTA', 'aqueous potassium carbonate', 'mycotoxin', 'sodium bicarbonate', 'Ochratoxin A', 'potassium carbonate']",1,13
16478236,"A method for the separation, isolation, and identification of phytosterols was developed. A commercial phytosterols mixture, Generol 95S, was fractionated first by adsorption silica gel column chromatography and then separated by means of a semipreparative reverse phase high-performance liquid chromatography fitted with a Polaris C8-A column (250 mm x 10 mm i.d., 5 microm) using isocratic acetonitrile:2-propanol:water (2:1:1, v/v/v) as the mobile phase. Milligram scales of six individual phytosterols, including citrostadienol, campesterol, beta-sitosterol, Delta7-avenasterol, Delta7-campesterol, and Delta7-sitosterol, were obtained. Purities of these isolated sterols were 85-98%. Relative response factors (RRF) of these phytosterols were calculated against cholestanol as an authentic commercial standard. These RRF values were used to quantify by gas chromatography-mass spectrometry (GC-MS) the phytosterols content in a reference material, oils, and chocolates.",Separation of Delta5- and Delta7-phytosterols by adsorption chromatography and semipreparative reversed phase high-performance liquid chromatography for quantitative analysis of phytosterols in foods.,"['Adsorption', 'Cacao', 'Chromatography', 'Chromatography, High Pressure Liquid', 'Chromatography, Thin Layer', 'Food Analysis', 'Gas Chromatography-Mass Spectrometry', 'Phytosterols', 'Plant Oils']","[None, 'chemistry', 'methods', 'methods', None, 'methods', None, 'analysis', 'chemistry']",0.0,cocoa,0.3111111111111111,"['Delta7-avenasterol', 'beta-sitosterol', 'cholestanol', 'phytosterols', 'citrostadienol', 'acetonitrile:2-propanol', 'campesterol', 'sterols', 'Generol', 'Delta7-campesterol']",1,14
25051638,"A method was developed and validated for the determination of ochratoxin A (OTA), a fungal metabolite, in cocoa beans of high fat content. The sample was extracted by blending with a 1% sodium bicarbonate solution (pH 10) followed by ultrasonication, and the sample was defatted by treatment with a flocculant. The defatted sample was purified using immunoaffinity column chromatography, and OTA was detected using HPLC with fluorescence detection. The method was fully optimized, validated, and quality controlled using spike recovery analyses, with recoveries of 89-105% over spiking ranges of 320-2.5 ng/g with CV of analyses generally <10% over 4 consecutive years and an LOQ of 0.66 ng/g in cocoa bean samples. This method overcomes the problems posed by the high fat contents of cocoa and chocolate samples with a high degree of reliability.",Determination of ochratoxin A in cocoa beans using immunoaffinity column cleanup with high-performance liquid chromatography.,"['Cacao', 'Calibration', 'Chromatography, Affinity', 'Chromatography, High Pressure Liquid', 'Ochratoxins']","['microbiology', None, 'instrumentation', 'methods', 'analysis']",,cocoa,0.08695652173913043,"['ochratoxin A', 'OTA', 'sodium bicarbonate']",1,4
28946331,"A novel, rapid, simultaneous analysis method for five sugars (fructose, glucose, sucrose, maltose, and lactose) and eight sugar alcohols (erythritol, xylitol, sorbitol, mannitol, inositol, maltitol, lactitol, and isomalt) was developed using UPLC-ELSD, without derivatization. The analysis conditions, including the gradient conditions, modifier concentration and column length, were optimized. Thirteen sugars and sugar alcohols were separated well and the resolution of their peaks was above 1.0. Their optimum analysis condition can be analyzed within 15min. Standard curves for sugars and sugar alcohols with concentrations of 5.0-0.1% and 2.0-0.05% are presented herein, and their correlation coefficients are found to be above 0.999 and the limit of detection (LOD) was around 0.006-0.018%. This novel analysis system can be used for foodstuffs such as candy, chewing gum, jelly, chocolate, processed chocolate products, and snacks containing 0.21-46.41% of sugars and sugar alcohols.",A rapid method for simultaneous quantification of 13 sugars and sugar alcohols in food products by UPLC-ELSD.,"['Carbohydrates', 'Chromatography, High Pressure Liquid', 'Sugar Alcohols']","['analysis', None, 'analysis']",0.0,cocoa,0.2641509433962264,"['fructose', 'erythritol', 'sucrose', 'inositol', 'glucose', 'sugars', 'maltose', 'sorbitol', 'xylitol', 'mannitol', 'lactose', 'lactitol', 'maltitol']",1,14
17061837,"Bidi cigarettes, small hand-rolled cigarettes produced primarily in India, are sold in the United States in a wide variety of candy-like flavors (e.g. dewberry, chocolate, clove) and are popular with adolescents. Many flavored bidis contain high concentrations of compounds such as eugenol, anethole, methyleugenol, pulegone, and estragole; several of these compounds have known toxic or carcinogenic properties. Clove cigarettes, or kreteks, are another highly flavored tobacco product with high levels of eugenol due to clove buds present in the tobacco filler. In this study, compounds in the burnable portion-the filler and wrapper material actually consumed during the smoking of bidis, kreteks, and U.S. cigarettes-were analyzed. Flavor-related compounds were solvent extracted from the burnable portion of each cigarette with methanol. An aliquot of the methanol extract was heated, and the sample headspace was sampled with a solid-phase microextraction fiber and introduced into a gas chromatograph-mass spectrometer for analysis in selected-ion monitoring mode. High levels of eugenol were detected in five clove-flavored bidi brands ranging from 78.6 to 7130 microg/cigarette (microg/cig), whereas diphenyl ether (128-3550 microg/cig) and methyl anthranilate (154-2360 microg/cig) were found in one grape-flavored bidi brand. A nontobacco herbal bidi brand contained the greatest variety of compounds, including anethole (489-665 microg/cig), eugenol (1670-2470 microg/cig), methyleugenol (27.7-36.6 microg/cig), safrole (32.4-34.4 microg/cig), myristicin (170-247 microg/cig), and elemicin (101-109 microg/cig). Filler from kreteks was found to contain high levels of eugenol, anethole, and coumarin. Flavored bidis and clove cigarettes contain a number of compounds that are present at levels far exceeding those reported in U.S. cigarette tobacco. Research is underway to determine the levels of these compounds delivered in smoke. It is not known what effect inhalation of these compounds has on smokers.",Quantification of flavor-related compounds in the unburned contents of bidi and clove cigarettes.,"['Filtration', 'Fires', 'Flavoring Agents', 'Mass Spectrometry', 'Reproducibility of Results', 'Syzygium', 'Tobacco']","[None, None, 'analysis', None, None, 'chemistry', 'chemistry']",0.0,cocoa,0.313953488372093,"['safrole', 'Clove', 'anethole', 'headspace', 'methyl anthranilate', 'pulegone', 'coumarin', 'estragole', 'eugenol', 'methyleugenol', 'clove', '1670-2470', 'elemicin', 'dewberry', 'methanol', 'myristicin', 'diphenyl ether', 'methanol extract']",1,27
25722166,"The main procyanidins, including dimeric B2 and B5, trimeric C1, tetrameric and pentameric procyanidins, were isolated from unroasted cocoa beans (Theobroma cacao L.) using various techniques of countercurrent chromatography, such as high-speed countercurrent chromatography (HSCCC), low-speed rotary countercurrent chromatography (LSRCCC) and spiral-coil LSRCCC. Furthermore, dimeric procyanidins B1 and B7, which are not present naturally in the analysed cocoa beans, were obtained after semisynthesis of cocoa bean polymers with (+)-catechin as nucleophile and separated by countercurrent chromatography. In this way, the isolation of dimeric procyanidin B1 in considerable amounts (500mg, purity>97%) was possible in a single run. This is the first report concerning the isolation and semisynthesis of dimeric to pentameric procyanidins from T. cacao by countercurrent chromatography. Additionally, the chemical structures of tetrameric (cinnamtannin A2) and pentameric procyanidins (cinnamtannin A3) were elucidated on the basis of (1)H NMR spectroscopy. Interflavanoid linkage was determined by NOE-correlations, for the first time. ","Isolation of dimeric, trimeric, tetrameric and pentameric procyanidins from unroasted cocoa beans (Theobroma cacao L.) using countercurrent chromatography.","['Biflavonoids', 'Cacao', 'Catechin', 'Chromatography', 'Magnetic Resonance Spectroscopy', 'Molecular Structure', 'Plant Extracts', 'Polymers', 'Proanthocyanidins']","['chemistry', 'chemistry', 'chemistry', 'methods', None, None, 'chemistry', 'analysis', 'chemistry']",0.0,cocoa,0.23404255319148937,"['cinnamtannin A3', 'cinnamtannin A2', 'procyanidins B1', '(+)-catechin', 'cacao', 'unroasted cocoa beans (Theobroma cacao L.', 'procyanidin', 'procyanidins']",1,11
10772173,"An AOAC collaborative study was conducted to evaluate the accuracy and reliability of an enzyme assay kit procedure for measuring oligofructans and fructan polysaccharide (inulins) in mixed materials and food products. The sample is extracted with hot water, and an aliquot is treated with a mixture of sucrase (a specific sucrose-degrading enzyme), alpha-amylase, pullulanase, and maltase to hydrolyze sucrose to glucose and fructose, and starch to glucose. These reducing sugars are then reduced to sugar alcohols by treatment with alkaline borohydride solution. The solution is neutralized, and excess borohydride is removed with dilute acetic acid. The fructan is hydrolyzed to fructose and glucose using a mixture of purified exo- and endo-inulinanases (fructanase mixture). The reducing sugars produced (fructose and glucose) are measured with a spectrophotometer after reaction with para-hydroxybenzoic acid hydrazide. The samples analyzed included pure fructan, chocolate, low-fat spread, milk powder, vitamin tablets, onion powder, Jerusalem artichoke flour, wheat stalks, and a sucrose/cellulose control flour. Repeatability relative standard deviations ranged from 2.3 to 7.3%; reproducibility relative standard deviations ranged from 5.0 to 10.8%.",Measurement of total fructan in foods by enzymatic/spectrophotometric method: collaborative study.,"['Borohydrides', 'Enzymes', 'Food Analysis', 'Fructans', 'Glycoside Hydrolases', 'Hydrolysis', 'Indicators and Reagents', 'Inulin', 'Quality Control', 'Solutions', 'Spectrophotometry', 'Sucrase', 'alpha-Amylases', 'alpha-Glucosidases']","[None, None, 'methods', 'analysis', 'metabolism', None, None, 'analysis', None, None, 'methods', 'metabolism', 'metabolism', 'metabolism']",,cocoa,0.2608695652173913,"['fructose', 'sucrose', 'fructan', 'glucose', 'sugars', 'acid hydrazide', 'fructan polysaccharide', 'borohydride', 'acetic acid', 'vitamin']",1,18
27507506,Cocoa beans are a well-known source of antioxidant polyphenols. Especially individual oligomeric proanthocyanidins demonstrated a significant contribution to the total antioxidant activity of cocoa compared to monomeric compounds. An NP-HPLC-online-DPPH assay was developed for separating the homologous series of oligomeric proanthocyanidins and the simultaneous assessment of their antioxidant capacity in relation to the degree of polymerization (DP). The present study describes the influence of the different stages of a lab-scale chocolate manufacturing process on the content of oligomeric proanthocyanidins and their antioxidant capacity. The sum of the total proanthocyanidin content (___ DP1-DP13) decreased from 30mg epicatechin equivalents per gram non-fat dry matter in raw fresh cocoa beans to 6mg epicatechin equivalents per gram in the final chocolate. The antioxidant capacity decreased accordingly from 25mg epicatechin equivalents per gram non-fat dry matter in raw fresh cocoa beans to 4mg/g in the final chocolate product. ,Determination of oligomeric proanthocyanidins and their antioxidant capacity from different chocolate manufacturing stages using the NP-HPLC-online-DPPH methodology.,"['Antioxidants', 'Automation', 'Cacao', 'Chocolate', 'Chromatography, High Pressure Liquid', 'Food Handling', 'Polymerization', 'Polyphenols', 'Proanthocyanidins']","['chemistry', None, 'chemistry', 'analysis', 'methods', None, None, 'chemistry', 'chemistry']",1.0,cocoa,0.2127659574468085,"['epicatechin', 'polyphenols', '___ DP1-DP13', 'Cocoa beans', 'epicatechin equivalents', 'proanthocyanidin', 'proanthocyanidins']",1,10
14661763,"A confirmatory method for the determination of low levels of acrylamide in different food products is presented. The method entails extraction of acrylamide with water, precipitation of matrix constituents with acetonitrile, and two clean-up steps consecutively over Isolute Multimode and cation-exchange cartridges. The final extract is analyzed by liquid chromatography (LC) coupled to positive electrospray ionization tandem mass spectrometry employing [13C3]-acrylamide as internal standard. For the chromatographic step, a LC column based on a polymethacrylate gel is employed which shows good retention of acrylamide under isocratic flow conditions (k' = 1.2). Mass spectral acquisition is done by selected reaction monitoring, choosing the characteristic transitions m/z 72-->55, 72-->54 and 72-->27. In-house validation data for breakfast cereals and crackers show good precision of the method, with intra- and interassay variation below 10%. The limits of detection for crackers and breakfast cereals, respectively are estimated at 15 and 20 microg/kg, and recoveries of fortified samples ranged between 58 and 76%. Furthermore, the method is applicable to a number of different food products, including biscuits, crisp bread, wafers, confectionery cocoa liquor, and nuts. Finally, the good results obtained in several small-scale interlaboratory tests provided additional confidence in the performance of the method.",Analysis of acrylamide in food by isotope-dilution liquid chromatography coupled with electrospray ionization tandem mass spectrometry.,"['Acrylamide', 'Chromatography, High Pressure Liquid', 'Food Analysis', 'Isotopes', 'Reproducibility of Results', 'Spectrometry, Mass, Electrospray Ionization']","['analysis', 'methods', None, None, None, 'methods']",0.0,cocoa,0.1076923076923077,"['[13C3]-acrylamide', 'final extract', 'confectionery cocoa liquor', 'fortified', 'acrylamide']",1,7
20565928,"Experimental evidences demonstrate that vegetable derived extracts inhibit cholesterol absorption in the gastrointestinal tract. To further explore the mechanisms behind, we modeled duodenal contents with several vegetable extracts.",When cholesterol is not cholesterol: a note on the enzymatic determination of its concentration in model systems containing vegetable extracts.,"['Cholesterol', 'Cholesterol Oxidase', 'Food Analysis', 'Intestinal Absorption', 'Mass Spectrometry', 'Plant Extracts', 'Vegetables']","['analysis', 'metabolism', 'methods', None, None, 'chemistry', 'chemistry']",2.0,cocoa,0.1,['cholesterol'],1,1
422499,"A high pressure liquid chromatographic (HPLC) method has been developed which is fast, simple, specific, and reliable over a wide range of sugar concentrations in a variety of food matrices. With few exceptions, sample preparation is simple, requiring only a water-ethanol extraction, followed by a rapid mini-column cleanup before injection into the HPLC system. The majority of samples can be prepared for analysis within 1--1 1/2 hr, and the following sugars are separated in less than 45 min: fructose, glucose, sucrose, maltose, lactose, melibioals, chocolate products, chocolate sirups, cookies, health food products, molasses, preserves, processed fruits, and soy protein products.",High pressure liquid chromatographic determination of sugars in various food products.,"['Carbohydrates', 'Chromatography, High Pressure Liquid', 'Food Analysis']","['analysis', None, None]",,cocoa,0.1935483870967742,"['fructose', 'sucrose', 'glucose', 'maltose', 'water-ethanol', 'lactose']",1,6
21493169,"Rapid, selective and sensitive methods were developed and validated to determine procyanidins, anthocyanins and alkaloids in different biological tissues, such as liver, brain, the aorta vein and adipose tissue. For this purpose, standards of procyanidins (catechin, epicatechin, and dimer B(2)), anthocyanins (cyanidin-3-glucoside and malvidin-3-glucoside) and alkaloids (theobromine, caffeine and theophylline) were used. The methods included the extraction of homogenized tissues by off-line liquid-solid extraction, and then solid-phase extraction to analyze alkaloids, or microelution solid-phase extraction plate for the analysis of procyanidins and anthocyanins. The eluted extracts were then analyzed by ultra-performance liquid chromatography-electrospray ionization-tandem mass spectrometry, using a triple quadrupole as the analyzer. The optimum extraction solution was water/methanol/phosphoric acid 4% (94/4.5/1.5, v/v/v). The extraction recoveries were higher than 81% for all the studied compounds in all the tissues, except the anthocyanins, which were between 50 and 65% in the liver and brain. In order to show the applicability of the developed methods, different rat tissues were analyzed to determine the procyanidins, anthocyanins and alkaloids and their generated metabolites. The rats had previously consumed 1g of a grape pomace extract (to analyze procyanidins and anthocyanins) or a cocoa extract (to analyze alkaloids) per kilogram of body weight. Different tissues were extracted 4h after administration of the respective extracts. The analysis of the metabolites revealed a hepatic metabolism of procyanidins. The liver was the tissue which produced a greater accumulation of these metabolites.","Rapid methods to determine procyanidins, anthocyanins, theobromine and caffeine in rat tissues by liquid chromatography-tandem mass spectrometry.","['Animals', 'Anthocyanins', 'Caffeine', 'Chromatography, High Pressure Liquid', 'Male', 'Proanthocyanidins', 'Rats', 'Rats, Wistar', 'Reproducibility of Results', 'Sensitivity and Specificity', 'Tandem Mass Spectrometry', 'Theobromine', 'Tissue Distribution']","[None, 'analysis', 'analysis', 'methods', None, 'analysis', None, None, None, None, 'methods', 'analysis', None]",1.0,cocoa,0.3037974683544304,"['anthocyanins', 'epicatechin', 'cocoa extract', 'theophylline', 'a grape pomace extract', 'malvidin-3-glucoside', 'alkaloids', 'theobromine', 'caffeine', 'cyanidin-3-glucoside', 'catechin', 'procyanidins']",1,24
28432760,"A method validation study for the determination of ochratoxin A in black and white pepper (Piper spp.), nutmeg (Myristica fragrans), spice mix (blend of ginger, turmeric, pepper, nutmeg, and chili), cocoa powder, and drinking chocolate was conducted according to the International Harmonized Protocol of the International Union of Pure and Applied Chemistry. The method is based on the extraction of samples with aqueous methanol, followed by a cleanup of the extract with an immunoaffinity column. The determination is carried out by reversed-phase LC coupled with a fluorescence detector. The study involved 25 participants representing a cross-section of research, private, and official control laboratories from 12 European Union (EU) Member States, together with Turkey and Macedonia. Mean recoveries ranged from 71 to 85% for spices and from 85 to 88% for cocoa and drinking chocolate. The RSDr values ranged from 5.6 to 16.7% for spices and from 4.5 to 18.7% for cocoa and drinking chocolate. The RSDR values ranged from 9.5 to 22.6% for spices and from 13.7 to 30.7% for cocoa and drinking chocolate. The resulting Horwitz ratios ranged from 0.4 to 1 for spices and from 0.6 to 1.4 for cocoa and drinking chocolate according to the Horwitz function modified by Thompson. The method showed acceptable within-laboratory and between-laboratory precision for each matrix, and it conforms to requirements set by current EU legislation.","Determination of Ochratoxin A in Black and White Pepper, Nutmeg, Spice Mix, Cocoa, and Drinking Chocolate by High-Performance Liquid Chromatography Coupled with Fluorescence Detection: Collaborative Study.","['Chocolate', 'Chromatography, High Pressure Liquid', 'Food Contamination', 'Myristica fragrans', 'Ochratoxins', 'Piper nigrum', 'Spices']","['analysis', None, None, 'chemistry', 'analysis', 'chemistry', 'analysis']",1.0,cocoa,0.05405405405405406,"['ochratoxin A', 'ginger', 'nutmeg (Myristica fragrans', 'aqueous methanol']",1,4
25902989,"Single-laboratory validation data were reviewed by the Expert Review Panel (ERP) of the Stakeholder Panel on Strategic Food Analytical Methods at the AOAC Mid-Year Meeting, March 12-14, 2013, in Rockville, MD. The ERP determined that the data presented met established standard method performance requirements and adopted a method for determination of flavanols and procyanidins (DP 1-10) in cocoa-based ingredients and products by ultra-HPLC as AOAC Official First Action Method 2013.03 on March 14, 2013. The flavanols and procyanidins (DP 1-10) are eluted using a binary gradient (solvents A and B) consisting of 98 + 2 (v/v) acetonitrile-glacial acetic acid (A) and 95 + 3 + 2 (v/v/v) methanol-water-glacial acetic acid (B). The mobile phase is applied to a diol stationary phase. Detection occurs using fluorescence detection. Recovery of flavanols and procyanidins (DP 1-10) from both high- and low-fat matrixes was 98.4-99.8%. Precision was determined for seven different sample types (cocoa extract, cocoa nib, natural cocoa powder, cocoa liquor, alkalized cocoa powder, dark chocolate, and milk chocolate).",Determination of Flavanols and Procyanidins (DP 1-10) in Cocoa-Based Ingredients and Products by UHPLC: First Action 2013.03.,"['Cacao', 'Chromatography, High Pressure Liquid', 'Flavonoids', 'Proanthocyanidins']","['chemistry', 'methods', 'analysis', 'analysis']",,cocoa,0.25925925925925924,"['solvents A', 'DP 1-10', 'cocoa extract, cocoa', 'high-', 'acetic acid', 'flavanols', 'procyanidins']",1,14
25307999,"As a consequence of the PAH4 (sum of four different polycyclic aromatic hydrocarbons, named benzo[a]anthracene, chrysene, benzo[b]fluoranthene, and benzo[a]pyrene) maximum levels permitted in cocoa beans and derived products as of 2013, an high-performance liquid chromatography with fluorescence detection method (HPLC-FD) was developed and adapted to the complex cocoa butter matrix to enable a simultaneous determination of PAH4. The resulting analysis method was subsequently successfully validated. This method meets the requirements of Regulation (EU) No. 836/2011 regarding analysis methods criteria for determining PAH4 and is hence most suitable for monitoring the observance of the maximum levels applicable under Regulation (EU) No. 835/2011. Within the scope of this work, a total of 218 samples of raw cocoa, cocoa masses, and cocoa butter from several sample years (1999-2012), of various origins and treatments, as well as cocoa and chocolate products were analyzed for the occurrence of PAH4. In summary, it is noted that the current PAH contamination level of cocoa products can be deemed very slight overall. ",Quantitation of polycyclic aromatic hydrocarbons (PAH4) in cocoa and chocolate samples by an HPLC-FD method.,"['Cacao', 'Chromatography, High Pressure Liquid', 'Food Contamination', 'Polycyclic Aromatic Hydrocarbons']","['chemistry', 'methods', 'analysis', 'analysis']",1.0,cocoa,0.16666666666666666,"['chrysene', 'benzo[b]fluoranthene', 'cocoa butter', 'cocoa', 'benzo[a]anthracene', 'polycyclic aromatic hydrocarbons', 'benzo[a]pyrene', 'HPLC-FD', 'PAH']",1,9
28039812,"The distribution of fatty acid species at the sn-1/3 position or the sn-2 position of triacylglycerols (TAGs) in natural fats and oils affects their physical and nutritional properties. In fats and oils, determining the presence of one or two regioisomers and the identification of structure, where they do have one, as well as their separation, became a problem of fundamental importance to solve. A variety of instrumental technics has been proposed, such as MS, chromatography-MS or pure chromatography. A number of studies deal with the optimization of the separation, but very often, they are expensive in time. In the present study, in order to decrease the analysis time while maintaining good chromatographic separation, we tested different monomeric and polymeric stationary phases and different chromatographic conditions (mobile phase composition and analysis temperature) using Non-Aqueous Reversed Phase Liquid Chromatography (NARP-LC). It was demonstrated that mixed polymeric stationary bonded silica with accessible terminal hydroxyl groups leads to very good separation for the pairs of TAGs regioisomers constituted by two saturated and one unsaturated fatty acid (with double bond number: from 1 to 6). A Nucleodur C18 ISIS percolated by isocratic mobile phase (acetonitrile/2-propanol) at 18_C leads to their separations in less than 15min. The difference of retention times between two regioisomers XYX and XXY are large enough to confirm, as application, the presence of POP, SOP, SOS and PLP and no PPO, SPO, SSO and PPL in Theobroma cacao butter. In the same way, this study respectively shows the presence of SOS, SOP and no SSO, PSO in Butyrospermum parkii butter, POP, SOP, SOS and no PPO, PSO and SSO in Carapa oil and finally POP and no PPO in Pistacia Lentiscus oil.",Fast non-aqueous reversed-phase liquid chromatography separation of triacylglycerol regioisomers with isocratic mobile phase. Application to different oils and fats.,"['Chromatography, High Pressure Liquid', 'Chromatography, Reverse-Phase', 'Fats', 'Plant Oils', 'Stereoisomerism', 'Triglycerides']","['methods', 'methods', 'chemistry', 'chemistry', None, 'analysis']",0.0,cocoa,0.2247191011235955,"['regioisomers', 'PPL', 'unsaturated fatty acid', 'hydroxyl', 'PSO', 'ISIS', 'acetonitrile/2-propanol', 'PPO', 'SSO', 'triacylglycerols', 'Theobroma cacao butter', 'TAGs', 'isocratic mobile', 'fatty acid']",1,20
11559132,"Key aroma components of cooked tail meat of American lobster (Homarus americanus) were studied by gas chromatography-olfactometry (GCO) techniques. Components of low and intermediate volatility were evaluated by aroma extract dilution analysis of solvent extracts prepared by direct solvent extraction-high vacuum distillation and vacuum steam distillation-solvent extraction, whereas headspace volatile components were assessed by GCO of decreasing headspace (static and dynamic modes) samples. Forty-seven odorants were detected by all techniques. 3-Methylbutanal (chocolate, malty), 2,3-butanedione (buttery), 3-(methylthio)propanal (cooked potato), 1-octen-3-one (mushroom), 2-acetyl-1-pyrroline (popcorn), and (E,Z)-2,6-nonadienal (cucumber), were identified as predominant odorants by all four isolation methods. The highly volatile compounds methanethiol (rotten, sulfurous) and dimethyl sulfide (canned corn) were detected by headspace methods only. These eight odorants along with three unknown compounds with crabby, amine, fishy odors were found to predominate in the overall aroma of cooked lobster tail meat.",Aroma components of cooked tail meat of American lobster (Homarus americanus).,"['Animals', 'Chromatography, Gas', 'Cooking', 'Nephropidae', 'Odorants', 'Seafood', 'Volatilization']","[None, 'methods', None, 'chemistry', 'analysis', None, None]",0.0,cocoa,0.20967741935483872,"['2,3-butanedione', 'volatile compounds methanethiol', 'headspace', 'dimethyl sulfide', 'cooked potato', '1-octen-3-one', '2-acetyl-1-pyrroline', 'rotten, sulfurous', 'amine', 'crabby', 'aroma extract', 'headspace volatile']",1,13
11559122,"The fatty acids from cocoa butters of different origins, varieties, and suppliers and a number of cocoa butter equivalents (Illexao 30-61, Illexao 30-71, Illexao 30-96, Choclin, Coberine, Chocosine-Illip©, Chocosine-Shea, Shokao, Akomax, Akonord, and Ertina) were investigated by bulk stable carbon isotope analysis and compound specific isotope analysis. The interpretation is based on principal component analysis combining the fatty acid concentrations and the bulk and molecular isotopic data. The scatterplot of the two first principal components allowed detection of the addition of vegetable fats to cocoa butters. Enrichment in heavy carbon isotope ((13)C) of the bulk cocoa butter and of the individual fatty acids is related to mixing with other vegetable fats and possibly to thermally or oxidatively induced degradation during processing (e.g., drying and roasting of the cocoa beans or deodorization of the pressed fat) or storage. The feasibility of the analytical approach for authenticity assessment is discussed.",Characterization of cocoa butter and cocoa butter equivalents by bulk and molecular carbon isotope analyses: implications for vegetable fat quantification in chocolate.,"['Carbon Isotopes', 'Chromatography, Gas', 'Dietary Fats', 'Fatty Acids', 'Food Handling', 'Mass Spectrometry', 'Vegetables']","[None, None, 'analysis', None, 'methods', None, 'chemistry']",2.0,cocoa,0.17543859649122806,"['Illexao 30-61', 'Illexao', 'Coberine', 'cocoa butter equivalents', 'fatty acids', 'carbon', 'fatty acid']",1,10
24360428,"Several HPLC and UHPLC developed methods were compared to analyse the natural antioxidants catechins and quercetin used in active packaging and functional foods. Photodiode array detector coupled with a fluorescence detector and compared with LTQ-Orbitrap-MS was used. UHPLC was investigated as quick alternative without compromising the separation, analysis time shortened up to 6-fold. The feasibility of the four developed methods was compared. Linearity up to 0.9995, low detection limits (between 0.02 and 0.7 for HPLC-PDA, 2 to 7-fold lower for HPLC- LTQ-Orbitrap-MS and from 0.2 to 2mgL(-)(1) for UHPLC-PDA) and good precision parameters (RSD lower than 0.06%) were obtained. All methods were successfully applied to natural samples. LTQ-Orbitrap-MS allowed to identify other analytes of interest too. Good feasibility of the methods was also concluded from the analysis of catechin and quercetin release from new active packaging materials based on polypropylene added with catechins and green tea. ",Analytical determination of flavonoids aimed to analysis of natural samples and active packaging applications.,"['Antioxidants', 'Cacao', 'Camellia sinensis', 'Catechin', 'Chromatography, High Pressure Liquid', 'Flavonoids', 'Food Packaging', 'Kinetics', 'Plant Extracts', 'Plastics', 'Quercetin']","['analysis', 'chemistry', 'chemistry', 'analysis', None, 'analysis', 'instrumentation', None, 'analysis', 'analysis', 'analysis']",1.0,cocoa,0.14634146341463414,"['catechins', 'green tea', 'quercetin', 'catechin']",1,6
26042917,"Flavan-3-ols and proanthocyanidins play a key role in the health beneficial effects of cocoa. Here, we developed a new reversed phased high-performance liquid chromatography-electrochemical detection (HPLC-ECD) method for the analysis of flavan-3-ols and proanthocyanidins of degree of polymerization (DP) 2-7. We used this method to examine the effect of alkalization on polyphenol composition of cocoa powder. Treatment of cocoa powder with NaOH (final pH 8.0) at 92 _C for up to 1 h increased catechin content by 40%, but reduced epicatechin and proanthocyanidins by 23-66%. Proanthocyanidin loss could be modeled using a two-phase exponential decay model (R(2) > 0.7 for epicatchin and proanthocyanidins of odd DP). Alkalization resulted in a significant color change and 20% loss of total polyphenols. The present work demonstrates the first use of HPLC-ECD for the detection of proanthocyanidins up to DP 7 and provides an initial predictive model for the effect of alkali treatment on cocoa polyphenols. ",Analysis of Cocoa Proanthocyanidins Using Reversed Phase High-Performance Liquid Chromatography and Electrochemical Detection: Application to Studies on the Effect of Alkaline Processing.,"['Alkalies', 'Cacao', 'Chromatography, High Pressure Liquid', 'Chromatography, Reverse-Phase', 'Food Handling', 'Hot Temperature', 'Plant Extracts', 'Proanthocyanidins']","['chemistry', 'chemistry', 'instrumentation', 'instrumentation', 'methods', None, 'analysis', 'analysis']",1.0,cocoa,0.26666666666666666,"['epicatechin', 'polyphenols', 'Proanthocyanidin loss', 'polyphenol', 'cocoa polyphenols', 'flavan-3-ols', 'catechin', 'proanthocyanidins']",1,12
9708288,"Chemical reactions occurring during industrial treatments or storage foods can lead to the formation of epsilon-deoxyketosyl compounds, the Amadori products. Food protein value can be adversely affected by these reactions, and in particular lysine, an essential amino acid having on its side chain a free amino group, can be converted to nonbioavailable N-substituted lysine or blocked lysine. by acid hydrolysis of epsilon-deoxyketosyl compounds, furosine is formed. In this paper furosine prepared from milk-based commercial products has been evaluated by use of a recently developed HPLC method using a microbore column and phosphate buffer as the mobile phase at controlled temperature. Furosine levels have been used, together with protein, total amino acids, and lysine content, as an estimate of protein quality of a few different products such as cooked-cream dessert, yogurt mousse, white chocolate, milk chocolate, milk chocolate with a soft nougat and caramel center, milk chocolate with a whipped white center, chocolate spread, part-skim milk tablets, milk-based dietetic meals, and baby foods. The protein content of the analyzed products ranged from 34.3 gxkg(-1) (milk nougat) to 188.4 g x kg(-1) (milk tablets). The Maillard reaction caused a loss in available lysine that varied from 2.5% (cooked cream) to 36.2% (condensed milk). The contribution to the lysine average daily requirement is heavily affected by this reaction and varied from 13% (milk tablets and soft nougat) to 61% (dietetic meal). Variable results were also obtained for the other essential amino acids.",Maillard reaction in mild-based foods: nutritional consequences.,"['Chromatography, High Pressure Liquid', 'Dairy Products', 'Food Handling', 'Food Preservation', 'Lysine', 'Maillard Reaction', 'Milk Proteins', 'Quality Control']","[None, 'analysis', 'standards', 'standards', 'analogs & derivatives', None, 'analysis', None]",,cocoa,0.16883116883116883,"['cooked cream', 'acid', 'amino acids', 'Furosine', 'amino acid', 'N-substituted lysine', 'phosphate', 'lysine']",1,13
16910727,"The characteristic aroma-active compounds in raw and cooked pine-mushrooms (Tricholoma matsutake Sing.) were investigated by gas chromatography-olfactometry using aroma extract dilution analysis. 1-Octen-3-one (mushroom-like) was the major aroma-active compound in raw pine-mushrooms; this compound had the highest flavor dilution factor, followed by ethyl 2-methylbutyrate (floral and sweet), linalool (citrus-like), methional (boiled potato-like), 3-octanol (mushroom-like and buttery), 1-octen-3-ol (mushroom-like), (E)-2-octen-1-ol (mushroom-like), and 3-octanone (mushroom-like and buttery). By contrast, methional, 2-acetylthiazole (roasted), an unknown compound (chocolate-like), 3-hydroxy-2-butanone (buttery), and phenylacetaldehyde (floral and sweet), which could be formed by diverse thermal reactions during the cooking process, together with C8 compounds, were identified as the major aroma-active compounds in cooked pine-mushrooms.",Characterization of aroma-active compounds in raw and cooked pine-mushrooms (Tricholoma matsutake Sing.).,"['Agaricales', 'Chromatography, Gas', 'Gas Chromatography-Mass Spectrometry', 'Hot Temperature', 'Humans', 'Ketones', 'Odorants', 'Smell']","['chemistry', None, None, None, None, 'analysis', 'analysis', None]",0.0,cocoa,0.1836734693877551,"['3-hydroxy-2-butanone', 'aroma extract', '3-octanone', 'methional', 'ethyl 2-methylbutyrate', 'phenylacetaldehyde', '3-octanol', '2-acetylthiazole', 'linalool']",1,9
27318471,"Cocoa beans contain secondary metabolites ranging from simple alkaloids to complex polyphenols with most of them believed to possess significant health benefits. The increasing interest in these health effects has prompted the need to develop techniques for their extraction, fractionation, separation, and analysis. This work provides an update on analytical procedures with a focus on establishing a gentle extraction technique. Cocoa beans were finely ground to an average particle size of <100____m, defatted at 20___C using n-hexane, and extracted three times with 50__% aqueous acetone at 50___C. Determination of the total phenolic content was done using the Folin-Ciocalteu assay, the concentration of individual polyphenols was analyzed by electrospray ionization high performance liquid chromatography-mass spectrometry (ESI-HPLC/MS). Fractions of bioactive compounds were separated by combining sequential centrifugal partition chromatography (SCPC) and gel permeation column chromatography using Sephadex LH-20. For SCPC, a two-phase solvent system consisting of ethyl acetate/n-butanol/water (4:1:5, v/v/v) was successfully applied for the separation of theobromine, caffeine, and representatives of the two main phenolic compound classes flavan-3-ols and flavonols. Gel permeation chromatography on Sephadex LH-20 using a stepwise elution sequence with aqueous acetone has been shown for effectively separating individual flavan-3-ols. Separation was obtained for (-)-epicatechin, proanthocyanidin dimer B2, trimer C1, and tetramer cinnamtannin A2. The purity of alkaloids and phenolic compounds was determined by HPLC analysis and their chemical identity was confirmed by mass spectrometry. ",Extraction of cocoa proanthocyanidins and their fractionation by sequential centrifugal partition chromatography and gel permeation chromatography.,"['Cacao', 'Centrifugation', 'Chemical Fractionation', 'Chromatography, Gel', 'Chromatography, High Pressure Liquid', 'Flavonols', 'Polyphenols', 'Proanthocyanidins', 'Solvents', 'Spectrometry, Mass, Electrospray Ionization']","['chemistry', 'methods', 'methods', 'methods', 'methods', 'analysis', 'analysis', 'analysis', None, 'methods']",1.0,cocoa,0.23076923076923078,"['polyphenols', 'cinnamtannin', 'phenolic compound classes flavan-3-ols', 'aqueous acetone', 'theobromine', 'alkaloids and phenolic', 'flavonols', 'Cocoa beans', 'n-hexane', 'proanthocyanidin', 'caffeine', '4:1:5, v/v/v', '(-)-epicatechin']",1,15
17613050,"A selective and sensitive procedure has been developed and validated for the determination of acrylamide in difficult matrices, such as coffee and chocolate. The proposed method includes pressurised fluid extraction (PFE) with acetonitrile, florisil clean-up purification inside the PFE extraction cell and detection by liquid chromatography (LC) coupled to atmospheric pressure ionisation in positive mode tandem mass spectrometry (APCI-MS-MS). Comparison of ionisation sources (atmospheric pressure chemical ionisation (APCI), atmospheric pressure photoionization (APPI) and the combined APCI/APPI) and clean-up procedures were carried out to improve the analytical signal. The main parameters affecting the performance of the different ionisation sources were previously optimised using statistical design of experiments (DOE). PFE parameters were also optimised by DOE. For quantitation, an isotope dilution approach was used. The limit of quantification (LOQ) of the method was 1 microg kg(-1) for coffee and 0.6 microg kg(-1) for chocolate. Recoveries ranged between 81-105% in coffee and 87-102% in chocolate. The accuracy was evaluated using a coffee reference test material FAPAS T3008. Using the optimised method, 20 coffee and 15 chocolate samples collected from Valencian (Spain) supermarkets, were investigated for acrylamide, yielding median levels of 146 microg kg(-1) in coffee and 102 microg kg(-1) in chocolate.",Determination of acrylamide in coffee and chocolate by pressurised fluid extraction and liquid chromatography-tandem mass spectrometry.,"['Acrylamide', 'Cacao', 'Chromatography, Liquid', 'Coffee', 'Spain', 'Tandem Mass Spectrometry']","['analysis', 'chemistry', 'methods', 'chemistry', None, 'methods']",,cocoa,0.027777777777777776,['acrylamide'],1,2
20213173,"Cocoa is well-known to be rich in flavan-3-ols. Previous analyses have established that alkaline treatment of cocoa beans results in epimerization of (-)-epicatechin to (-)-catechin and (+)-catechin to (+)-epicatechin. Now, the question is whether both epimers can be absorbed by the human organism. This paper describes sample preparation and an HPLC method for chiral determination of (+)/(-)-catechin from sulfated and glucuronidated metabolites in human plasma. The sample preparation includes enzymatic hydrolysis of the catechin metabolites, and solid-phase extraction (SPE). A PM-gamma-cyclodextrin column is used with a coulometric electrode-array detection (CEAD) system. The recovery of catechin ranges from 89.9 to 96.8%. The limit of detection is 5.9 ng mL(-1) for (-)-catechin and 6.8 ng mL(-1) for (+)-catechin, and the limit of quantification is 12.8 ng mL(-1) for (-)-catechin and 16.9 ng mL(-1) for (+)-catechin. The relative standard deviation of the method ranges from 0.9 to 1.5%. This method was successfully applied to human plasma after consumption of a cocoa drink. In one human self-experiment, (+)-catechin and (-)-catechin were found in human plasma, but metabolism of the two enantiomers differed.",Chiral separation of (+)/(-)-catechin from sulfated and glucuronidated metabolites in human plasma after cocoa consumption.,"['Adult', 'Beverages', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Female', 'Humans', 'Limit of Detection', 'Solid Phase Extraction', 'Stereoisomerism']","[None, None, 'metabolism', 'blood', 'methods', None, None, None, 'methods', None]",0.0,cocoa,0.2,"['enantiomers', 'epimers', 'SPE', 'catechin', 'PM-gamma-cyclodextrin', '(+)-catechin', 'Cocoa', 'glucuronidated', '(-)-epicatechin']",1,13
10545668,"The presence of carbohydrates and organic acids was monitored in the oral cavity over a 3-hour period following the ingestion of six foods containing cooked starch (popcorn, potato chips, corn flakes, bread stick, hard pretzel and wheat cracker) and compared to a food containing sugar (chocolate-covered candy bar). Oral fluid samples were collected at 30-min intervals from five different tooth sites from 7 volunteers using absorbent paper points. Samples were analyzed for carbohydrates and organic acids using high-performance liquid chromatography. Analytical data for each food were pooled and compared to the results of the sugar food. The amount of lactic acid produced 30 min after ingestion was highest with the potato chips and lowest with the corn flakes. Potato starch contributed more readily to oral lactic acid production than wheat or corn starch. A direct linear relationship existed between lactic acid production and the presence of oral glucose produced from starch, which occurred via the metabolites maltotriose and maltose. Oral clearance of foods containing cooked starch proceeded significantly slower than that of the sugar food, thus contributing to a prolonged period of lactic acid production.",Clearance and metabolism of starch foods in the oral cavity.,"['Acetic Acid', 'Cacao', 'Candy', 'Chromatography, High Pressure Liquid', 'Dietary Carbohydrates', 'Dietary Sucrose', 'Food', 'Formates', 'Glucose', 'Humans', 'Kinetics', 'Lactic Acid', 'Maltose', 'Mouth', 'Saliva', 'Starch', 'Trisaccharides', 'Triticum', 'Zea mays']","['analysis', None, None, None, 'metabolism', 'metabolism', None, 'analysis', 'analysis', None, None, 'analysis', 'analysis', 'metabolism', 'chemistry', 'metabolism', 'analysis', None, None]",,cocoa,0.1774193548387097,"['maltotriose', 'oral lactic acid', 'lactic acid', 'carbohydrates', 'glucose', 'maltose', 'acids']",1,11
3597580,"A method is described for simultaneous extraction and quantitation of the amines 2-phenylethylamine, tele-methylhistamine, histamine, tryptamine, m- and p-tyramine, 3-methoxytyramine, 5-hydroxytryptamine, cadaverine, putrescine, spermidine and spermine. This method is based on extractive derivatization of the amines with a perfluoroacylating agent, pentafluorobenzoyl chloride, under basic aqueous conditions. Analysis was done on a gas chromatograph equipped with an electron-capture detector and a capillary column system. The procedure is relatively rapid and provides derivatives with good chromatographic properties. Its application to analysis of the above amines in cheese and chocolate products is described.",Simultaneous extraction and quantitation of several bioactive amines in cheese and chocolate.,"['Amines', 'Cacao', 'Cheese', 'Chromatography, Gas', 'Indicators and Reagents', 'Plants, Edible']","['analysis', 'analysis', 'analysis', None, None, 'analysis']",,cocoa,0.4166666666666667,"['putrescine', 'cadaverine', 'p-tyramine', 'histamine', 'amines', '5-hydroxytryptamine', 'spermine', 'tryptamine', 'spermidine', 'm-', 'pentafluorobenzoyl chloride', 'amines 2-phenylethylamine', '3-methoxytyramine', 'tele-methylhistamine']",1,15
19924052,"This report describes the characterization of a series of commercially available procyanidin standards ranging from dimers DP = 2 to decamers DP = 10 for the determination of procyanidins from cocoa and chocolate. Using a combination of HPLC with fluorescence detection and MALDI-TOF mass spectrometry, the purity of each standard was determined and these data were used to determine relative response factors. These response factors were compared with other response factors obtained from published methods. Data comparing the procyanidin analysis of a commercially available US dark chocolate calculated using each of the calibration methods indicates divergent results and demonstrate that previous methods may significantly underreport the procyanidins in cocoa-containing products. These results have far reaching implications because the previous calibration methods have been used to develop data for a variety of scientific reports, including food databases and clinical studies.",Characterization of primary standards for use in the HPLC analysis of the procyanidin content of cocoa and chocolate containing products.,"['Biflavonoids', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Proanthocyanidins', 'Reference Standards', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization']","['analysis', 'chemistry', 'analysis', 'standards', 'analysis', None, None]",0.0,cocoa,0.1,"['procyanidin', 'procyanidins']",1,4
15969528,"Application of chromatographic separation and taste dilution analyses recently revealed besides procyanidins a series of N-phenylpropenoyl amino acids as the key contributors to the astringent taste of nonfermented cocoa beans as well as roasted cocoa nibs. Because these amides have as yet not been reported as key taste compounds, this paper presents the isolation, structure determination, and sensory activity of these amino acid amides. Besides the previously reported (-)-N-[3',4'-dihydroxy-(E)-cinnamoyl]-3-hydroxy-L-tyrosine (clovamide), (-)-N-[4'-hydroxy-(E)-cinnamoyl]-L-tyrosine (deoxyclovamide), and (-)-N-[3',4'-dihydroxy-(E)-cinnamoyl]-L-tyrosine, seven additional amides, namely, (+)-N-[3',4'-dihydroxy-(E)-cinnamoyl]-L-aspartic acid, (+)-N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid, (-)-N-[3',4'-dihydroxy-(E)-cinnamoyl]-L-glutamic acid, (-)-N-[4'-hydroxy-(E)-cinnamoyl]-L-glutamic acid, (-)-N-[4'-hydroxy-(E)-cinnamoyl]-3-hydroxy-L-tyrosine, (+)-N-[4'-hydroxy-3'-methoxy-(E)-cinnamoyl]-L-aspartic acid, and (+)-N-[(E)-cinnamoyl]-L-aspartic acid, were identified for the first time in cocoa products by means of LC-MS/MS, 1D/2D-NMR, UV-vis, CD spectroscopy, and polarimetry, as well as independent enantiopure synthesis. Using the recently developed half-tongue test, human recognition thresholds for the astringent and mouth-drying oral sensation were determined to be between 26 and 220 micromol/L (water) depending on the amino acid moiety. In addition, exposure to light rapidly converted these [E]-configured N-phenylpropenoyl amino acids into the corresponding [Z]-isomers, thus indicating that analysis of these compounds in food and plant materials needs to be performed very carefully in the absence of light to prevent artifact formation.","Isolation, structure determination, synthesis, and sensory activity of N-phenylpropenoyl-L-amino acids from cocoa (Theobroma cacao).","['Amides', 'Amino Acids', 'Aspartic Acid', 'Cacao', 'Chromatography, High Pressure Liquid', 'Cinnamates', 'Glutamic Acid', 'Humans', 'Isomerism', 'Molecular Structure', 'Seeds', 'Taste', 'Tyrosine']","['analysis', 'analysis', 'analogs & derivatives', 'chemistry', None, 'analysis', 'analogs & derivatives', None, None, None, 'chemistry', None, 'analogs & derivatives']",0.0,cocoa,0.21052631578947367,"['acid', 'nonfermented cocoa beans', 'N-phenylpropenoyl amino acids', 'roasted cocoa nibs', ""(-)-N-[3',4'-dihydroxy-(E)-cinnamoyl]-3-hydroxy-L-tyrosine"", 'clovamide', ""(-)-N-[3',4'-dihydroxy-(E)-cinnamoyl]-L-tyrosine"", 'amino acid amides', 'amino acid', 'procyanidins']",1,12
26744789,"Gallocatechin gallate (GCG) possesses multiple potential biological activities. However, the content of GCG in traditional green tea is too low which limits its in-depth pharmacological research and application. In the present study, a simple, efficient and environment-friendly chromatographic separation method was developed for preparative enrichment and separation of GCG from cocoa tea (Camellia ptilophylla) which contains high content of GCG. In the first step, the adsorption properties of selected resins were evaluated, and XAD-7HP resin was chosen by its adsorption and desorption properties for GCG. In order to maximize column efficiency for GCG collection, the operating parameters (e.g., flow rate, ethanol concentration, and bed height) were optimized. We found that the best combination was the feed concentration at 20mg/mL, flow rate at 0.75 BV/h and the ratio of diameter to bed heights as 1:12. Under these conditions, the purity of GCG was 45% with a recovery of 89%. In order to obtain pure target, a second step was established using column chromatography with sephadex LH-20 gel and 55% ethanol-water solution as eluent. After this step, the purity of the GCG was 91% with a recovery of 68% finally. ",Preparative separation of gallocatechin gallate from Camellia ptilophylla using macroporous resins followed by sephadex LH-20 column chromatography.,"['Camellia', 'Catechin', 'Chromatography, High Pressure Liquid', 'Dextrans', 'Plant Extracts', 'Resins, Synthetic']","['chemistry', 'analogs & derivatives', 'methods', 'chemistry', 'chemistry', 'chemistry']",0.0,cocoa,0.08333333333333333,"['Gallocatechin gallate', 'ethanol', 'green tea', 'Camellia', 'cocoa tea']",1,5
26637047,"Direct analysis of microbial cocultures grown on agar media by desorption electrospray ionization mass spectrometry (DESI-MS) is quite challenging. Due to the high gas pressure upon impact with the surface, the desorption mechanism does not allow direct imaging of soft or irregular surfaces. The divots in the agar, created by the high-pressure gas and spray, dramatically change the geometry of the system decreasing the intensity of the signal. In order to overcome this limitation, an imprinting step, in which the chemicals are initially transferred to flat hard surfaces, was coupled to DESI-MS and applied for the first time to fungal cocultures. Note that fungal cocultures are often disadvantageous in direct imaging mass spectrometry. Agar plates of fungi present a complex topography due to the simultaneous presence of dynamic mycelia and spores. One of the most devastating diseases of cocoa trees is caused by fungal phytopathogen Moniliophthora roreri. Strategies for pest management include the application of endophytic fungi, such as Trichoderma harzianum, that act as biocontrol agents by antagonizing M. roreri. However, the complex chemical communication underlying the basis for this phytopathogen-dependent biocontrol is still unknown. In this study, we investigated the metabolic exchange that takes place during the antagonistic interaction between M. roreri and T. harzianum. Using imprint-DESI-MS imaging we annotated the secondary metabolites released when T. harzianum and M. roreri were cultured in isolation and compared these to those produced after 3 weeks of coculture. We identified and localized four phytopathogen-dependent secondary metabolites, including T39 butenolide, harzianolide, and sorbicillinol. In order to verify the reliability of the imprint-DESI-MS imaging data and evaluate the capability of tape imprints to extract fungal metabolites while maintaining their localization, six representative plugs along the entire M. roreri/T. harzianum coculture plate were removed, weighed, extracted, and analyzed by liquid chromatography-high-resolution mass spectrometry (LC-HRMS). Our results not only provide a better understanding of M. roreri-dependent metabolic induction in T. harzianum, but may seed novel directions for the advancement of phytopathogen-dependent biocontrol, including the generation of optimized Trichoderma strains against M. roreri, new biopesticides, and biofertilizers. ",Imprint Desorption Electrospray Ionization Mass Spectrometry Imaging for Monitoring Secondary Metabolites Production during Antagonistic Interaction of Fungi.,"['4-Butyrolactone', 'Agaricales', 'Biological Products', 'Butanes', 'Coculture Techniques', 'Cyclohexanones', 'Lactones', 'Secondary Metabolism', 'Spectrometry, Mass, Electrospray Ionization', 'Trichoderma']","['analogs & derivatives', 'growth & development', 'analysis', 'chemistry', None, 'chemistry', 'chemistry', None, None, 'growth & development']",0.0,cocoa,0.009615384615384616,['extract fungal'],1,1
15453694,"The flavor of eight cocoa liquors of different origins (Africa, America, and Asia) and different varieties (Fine grades: criollo, trinitario, and nacional. Bulk-basic grade: forastero.) was analyzed by headspace solid-phase microextraction mass spectrometry (HS-SPME-MS). Their procyanidin contents were quantified by HPLC-UV (280 nm). Fine varieties with short fermentation processes proved to contain more procyanidins, while criollo from New Guinea and forastero beans showed the highest aroma levels. The levels of cocoa aroma compounds formed during roasting are shown to vary directly with bean fermentation time and inversely with residual procyanidin content in cocoa liquor. Measurement of antioxidant activity in cocoa liquor proved to be a useful tool for assessing residual polyphenols.",Relationship between procyanidin and flavor contents of cocoa liquors from different origins.,"['Africa', 'Alcoholic Beverages', 'Americas', 'Antioxidants', 'Asia', 'Biflavonoids', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Fermentation', 'Gas Chromatography-Mass Spectrometry', 'Mass Spectrometry', 'Odorants', 'Proanthocyanidins', 'Taste']","[None, 'analysis', None, 'analysis', None, 'analysis', 'chemistry', 'analysis', None, None, None, 'methods', 'analysis', 'analysis', None]",1.0,cocoa,0.13636363636363635,"['polyphenols', 'headspace', 'cocoa aroma', 'procyanidin', 'procyanidins']",1,6
12881135,"Benzophenone may be present in cartonboard food-packaging materials as a residue from UV-cured inks and lacquers used to print on the packaging. It may also be present if the cartonboard is made from recycled fibres recovered from printed materials. A method has been devised to test for benzophenone in cartonboard packaging materials and to test for migration levels in foodstuffs. Packaging is extracted with solvent containing d10-benzophenone as the internal standard. Foods are extracted with solvent containing d10-benzophenone and the extract defatted using hexane. The extracts are analysed by GC-MS. For analysis of food, the limit of detection was 0.01 mg x kg(-1) and the limit of quantification was 0.05 mg x kg(-1). The calibration was linear from 0.05 to 20 mg x kg(-1). The method for food analysis was validated in-house and it also returned satisfactory results in a blind check-sample exercise organized by an independent laboratory. The methods were applied to the analysis of 350 retail samples that used printed cartonboard packaging. A total of 207 (59%) packaging samples had no significant benzophenone (<0.05 mg x dm(-2)). Seven (2%) were in the range 0.05- 0.2 mg x dm(-2), 60 (17%) were from 0.2 to 0.8 mg x dm(-2) and 76 (22%) were from 0.8 to 3.3 mg x dm(-2). A total of 71 samples were then selected at random from the 143 packaging samples that contained benzophenone, and the food itself was analysed. Benzophenone was detected in 51 (72%) of the foods. Two food samples (3%) were in the range 0.01-0.05 mg kg(-1). A total of 29 (41%) were from 0.05 to 0.5 mg kg(-1), 17 (24%) were from 0.5 to 5 mg x kg(-1) and three (4%) food samples exceeded 5 mg x kg(-1). The highest level of benzophenone in food was 7.3 mg x kg(-1) for a high-fat chocolate confectionery product packaged in direct contact with cartonboard, with room temperature storage conditions and with a high contact area:food mass ratio. When the mass fraction of benzophenone migration was calculated for the different contact and storage regimes involved, the attenuation effects of indirect contact and of low temperature storage were cumulative. Thus, there was a sixfold reduction in migration for indirect contact compared with direct contact, a sixfold reduction for chilled/frozen storage compared with ambient storage, and 40-fold reduction for the two contact conditions combined.",Benzophenone in cartonboard packaging materials and the factors that influence its migration into food.,"['Benzophenones', 'Food Contamination', 'Food Packaging', 'Food Preservation', 'Gas Chromatography-Mass Spectrometry', 'Humans', 'Ink', 'Quality Control', 'Temperature']","['analysis', 'analysis', None, 'methods', 'methods', None, None, None, None]",,cocoa,0.11,"['Benzophenone', 'chilled/frozen', 'hexane', 'd10-benzophenone', 'benzophenone']",1,11
29053889,"The interest towards ""substances of emerging concerns"" referred to objects intended to come into contact with food is recently growing. Such substances can be found in traces in simulants and in food products put in contact with plastic materials. In this context, it is important to set up analytical systems characterized by high sensitivity and to improve detection parameters to enhance signals. This work was aimed at optimizing a method based on UHPLC coupled to high resolution mass spectrometry to quantify the most common plastic additives, and able to detect the presence of polymers degradation products and coloring agents migrating from plastic re-usable containers. The optimization of mass spectrometric parameter settings for quantitative analysis of additives has been achieved by a chemometric approach, using a full factorial and d-optimal experimental designs, allowing to evaluate possible interactions between the investigated parameters. Results showed that the optimized method was characterized by improved features in terms of sensitivity respect to existing methods and was successfully applied to the analysis of a complex model food system such as chocolate put in contact with 14 polycarbonate tableware samples. A new procedure for sample pre-treatment was carried out and validated, showing high reliability. Results reported, for the first time, the presence of several molecules migrating to chocolate, in particular belonging to plastic additives, such Cyasorb UV5411, Tinuvin 234, Uvitex OB, and oligomers, whose amount was found to be correlated to age and degree of damage of the containers.","Optimization of mass spectrometry acquisition parameters for determination of polycarbonate additives, degradation products, and colorants migrating from food contact materials to chocolate.","['Calibration', 'Chocolate', 'Chromatography, High Pressure Liquid', 'Food Contamination', 'Food Packaging', 'Household Articles', 'Humans', 'Limit of Detection', 'Plastics', 'Polyesters', 'Reproducibility of Results', 'Tandem Mass Spectrometry']","[None, 'analysis', 'methods', 'analysis', None, None, None, None, 'chemistry', 'chemistry', None, 'methods']",,cocoa,0.014285714285714285,['UV5411'],1,1
19348344,"This study has examined the effects of type of dairy product (whole milk, skim milk, heavy cream) and chocolate matrix (baking, dark, dairy milk, white) on the oral absorption of the chocolate flavanols (+)-catechin and (-)-epicatechin in a small animal model. In the study, each flavanol compound, as a solution in water or a dairy product or as a chocolate dispersion in water, was administered intragastrically to male Sprague-Dawley rats in an amount equal to or equivalent to 350 mg/kg. In each instance, blood samples were collected over a 5 h period, and used to measure plasma total catechin concentrations by HPLC after enzymatic hydrolysis of flavanol conjugates. Pharmacokinetic data were evaluated using a one compartment approach. Whole milk and heavy cream, and to a much lesser extent skim milk, lowered the oral absorption of both (+)-catechin and (-)-epicatechin and altered the AUC, C(max), k(a), k(e) and t1/2 values in direct proportion to their fat, but not to their protein, content. In addition, the t(max) for solutions of (-)-epicatechin in water and skim milk occurred 2 h earlier than from solutions in whole milk and heavy cream. Similarly, dispersions of baking chocolate in water and in whole milk yielded plasma levels of monomeric catechins that were, respectively, about equal to and much lower than those from aqueous solutions of authentic flavanols. A determining role for a chocolate matrix (dark, dairy milk or white chocolate) on the oral absorption of its constitutive monomeric flavanols was suggested by the apparent variability in plasma total catechins levels that existed among them both before and after their spiking with equal amounts of exogenous (+)-catechin and (-)-epicatechin. Such a variability could reflect differences among different chocolates in terms of their physical properties, matrix components, and matrix characteristics imposed by the manufacturing process used for each type of chocolate. In all the experiments, (+)-catechin demonstrated a higher oral absorption than (-)-epicatechin.",Assessment of the effect of type of dairy product and of chocolate matrix on the oral absorption of monomeric chocolate flavanols in a small animal model.,"['Animals', 'Area Under Curve', 'Cacao', 'Catechin', 'Cattle', 'Chromatography, High Pressure Liquid', 'Dairy Products', 'Flavonols', 'Fluorometry', 'Male', 'Milk', 'Milk Proteins', 'Rats', 'Rats, Sprague-Dawley']","[None, None, 'chemistry', 'blood', None, None, 'analysis', 'chemistry', None, None, 'chemistry', 'analysis', None, None]",,cocoa,0.17,"['flavanol', 'catechin', '(+)-catechin', 'baking chocolate', 'catechins', 'flavanols', '(-)-epicatechin']",1,17
15453712,"In this work, the occurrence of ochratoxin A (OTA) in 170 samples of cocoa products of different geographical origins was studied. An immunoaffinity column with HPLC separation was developed to quantify low levels of OTA in cocoa bean, cocoa cake, cocoa mass, cocoa nib, cocoa powder, cocoa shell, cocoa butter, chocolate, and chocolate cream with >80% recoveries. The method was validated by performing replicate analyses of uncontaminated cocoa material spiked at three different levels of OTA (1, 2, and 5 microg/kg). The data obtained were related on the acceptable safe daily exposure for OTA. The highest levels of OTA were detected in roasted cocoa shell and cocoa cake (0.1-23.1 microg/kg) and only at minor levels in the other cocoa products. Twenty-six cocoa and chocolate samples were free from detectable OTA (<0.10 microg/kg). In roasted cocoa powder 38.7% of the samples analyzed contained OTA at levels ranging from 0.1 to 2 microg/kg, and 54.8% was contaminated at >2 microg/kg (and 12 samples at >3 microg/kg). Ochratoxin A was detected in cocoa bean at levels from 0.1 to 3.5 microg/kg, the mean concentration being 0.45 microg/kg; only one sample exceeded 2 microg/kg (4.7%). In contrast, 51.2% of cocoa cake samples contained OTA at levels > or =2 microg/kg, among which 16 exceeded 5 microg/kg (range of 5-9 microg/kg). These results indicate that roasted cocoa powder is not a major source of OTA in the diet.",Occurrence of ochratoxin A in cocoa products and chocolate.,"['Animals', 'Cacao', 'Chromatography, High Pressure Liquid', 'Food Contamination', 'Mycotoxins', 'Ochratoxins', 'Swine']","[None, 'chemistry', 'methods', 'analysis', 'analysis', 'analysis', None]",1.0,cocoa,0.1891891891891892,"['ochratoxin A', 'OTA', '5-9', 'roasted cocoa', 'roasted cocoa powder 38.7', 'Ochratoxin A']",1,14
25466021,"Hazelnut is one of the most appreciated nuts being virtually found in a wide range of processed foods. The simple presence of trace amounts of hazelnut in foods can represent a potential risk for eliciting allergic reactions in sensitised individuals. The correct labelling of processed foods is mandatory to avoid adverse reactions. Therefore, adequate methodology evaluating the presence of offending foods is of great importance. Thus, the aim of this study was to develop a highly specific and sensitive sandwich enzyme-linked immunosorbent assay (ELISA) for the detection and quantification of hazelnut in complex food matrices. Using in-house produced antibodies, an ELISA system was developed capable to detect hazelnut down to 1 mg kg(-1) and quantify this nut down to 50 mg kg(-1) in chocolates spiked with known amounts of hazelnut. These results highlight and reinforce the value of ELISA as rapid and reliable tool for the detection of allergens in foods.",Development of a sandwich ELISA-type system for the detection and quantification of hazelnut in model chocolates.,"['Cacao', 'Calibration', 'Candy', 'Chromatography, Liquid', 'Corylus', 'Electrophoresis, Polyacrylamide Gel', 'Enzyme-Linked Immunosorbent Assay', 'Food Analysis', 'Limit of Detection', 'Nuts', 'Plant Proteins', 'Tandem Mass Spectrometry']","['chemistry', None, None, None, 'chemistry', None, 'methods', 'methods', None, 'chemistry', 'analysis', None]",0.0,cocoa,0.04081632653061224,"['chocolates spiked', 'Hazelnut']",1,2
11929301,"After vacuum distillation and liquid-liquid extraction, the volatile fractions of dark chocolates were analyzed by gas chromatography-olfactometry and gas chromatography-mass spectrometry. Aroma extract dilution analysis revealed the presence of 33 potent odorants in the neutral/basic fraction. Three of these had a strong chocolate flavor: 2-methylpropanal, 2-methylbutanal, and 3-methylbutanal. Many others were characterized by cocoa/praline-flavored/nutty/coffee notes: 2,3-dimethylpyrazine, trimethylpyrazine, tetramethylpyrazine, 3(or 2),5-dimethyl-2(or 3)-ethylpyrazine, 3,5(or 6)-diethyl-2-methylpyrazine, and furfurylpyrrole. Comparisons carried out before and after conching indicate that although no new key odorant is synthesized during the heating process, levels of 2-phenyl-5-methyl-2-hexenal, Furaneol, and branched pyrazines are significantly increased while most Strecker aldehydes are lost by evaporation.",Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching.,"['Aldehydes', 'Cacao', 'Chromatography, Gas', 'Furans', 'Gas Chromatography-Mass Spectrometry', 'Hexobarbital', 'Hot Temperature', 'Odorants', 'Pyrazines', 'Smell', 'Taste']","['analysis', 'chemistry', None, 'analysis', None, None, None, None, 'analysis', None, None]",0.0,cocoa,0.3333333333333333,"['2,3-dimethylpyrazine', '6)-diethyl-2-methylpyrazine', '3-methylbutanal', 'trimethylpyrazine', '3(or 2),5-dimethyl-2(or 3)-ethylpyrazine', 'aldehydes', 'Aroma extract', 'Furaneol', 'branched pyrazines', 'furfurylpyrrole', 'tetramethylpyrazine']",1,11
14643988,"This paper deals with the physicochemical characterization, including thermal behaviour, by differential scanning calorimetry of mango seed almond fat (MAF), alone and in mixtures with cocoa butter (CB). Results showed that mango almond seeds contain about 5.28-11.26% (dw) of fat. The refraction index is 1.466, the saponification index 189.0 and the iodine index 41.76. Fatty acids found in MAF are oleic, stearic, and palmitic acids (40.81%, 39.07% and 9.29% (w/w), respectively) as well as smaller amounts of linoleic, with arachidic, behenic, lignoceric, and linolenic acids, among others. Calorimetric analysis showed that MAF crystallizes between 14.6 and -24.27 degrees C with a DeltaHc of 56.06 J/g and melts between -17.1 and 53.8 degrees C, with fusion maxima at 18.54 degrees C and 40.0 degrees C for the alpha and beta polymorphic forms. Their fusion enthalpies are 70.12 and 115.7 J/g. The MAF solids content profile is very similar to that of CB, both in stabilized and non-stabilized samples. The mixing compatibility was analyzed using isosolids curves of mixtures of different compositions.",Mango seed uses: thermal behaviour of mango seed almond fat and its mixtures with cocoa butter.,"['Calorimetry, Differential Scanning', 'Dietary Fats', 'Fats', 'Gas Chromatography-Mass Spectrometry', 'Mangifera', 'Mexico', 'Seeds', 'Temperature']","[None, 'analysis', 'chemistry', None, 'chemistry', None, 'chemistry', None]",2.0,cocoa,0.2641509433962264,"['CB', 'arachidic', 'cocoa butter', 'linoleic', 'linolenic acids', 'lignoceric', 'iodine', 'oleic', 'stearic', 'behenic', 'Fatty acids', 'palmitic acids', 'DeltaHc']",1,14
10395610,"The fructans, inulin and oligofructose, were known to possess many of the physiologic properties of dietary fiber (DF) but were not listed as DF on the labels of foods that contained them because they did not precipitate in 78% ethanol as prescribed in the AOAC International methods for DF. In the latter part of 1995, the Food and Drug Administration (FDA) agreed to consider fructans as DF if an AOAC-accepted analytical method could be successfully developed for fructans. Six blind duplicate pairs of foods, containing from 4 to 40% of inulin or oligofructose, were sent to nine collaborators in five countries for assay. These foods included a low fat spread, cheese spread, chocolate, wine gum, dry ice mix powder and biscuits. In the proposed method, the samples were treated with amyloglucosidase and inulinase, and the sugars released were determined by ion-exchange chromatography. The concentration of the fructan was calculated by the difference in sugars present in the two enzymic treatments and the initial sample. The repeatability standard deviations (RSDr) for the inulin and oligofructose ranged from 2.9 to 5.8% and the reproducibility standard deviations (RSDR) for these fructans ranged from 4.7 to 11.1%. The method was accepted by the AOAC as an official first action.",Methods to determine food inulin and oligofructose.,"['Chromatography, Ion Exchange', 'Dietary Fiber', 'Food Analysis', 'Fructans', 'Inulin', 'Oligosaccharides', 'Reproducibility of Results']","['methods', 'analysis', 'methods', 'analysis', 'analysis', 'analysis', None]",0.0,cocoa,0.08064516129032258,"['ethanol', 'fructan', 'inulin']",1,5
546878,"The quantitative analysis of benzoic and sorbic acid, methyl, ethyl and propyl esters of p-hydroxybenzoic acid and saccharin in foodstuffs is described. These compounds are quantitatively extracted with disposable clean-up columns packed with Extrelut and simultaneously determined by high-performance liquid chromatography on reversed-phase columns. Complicated matrices such as cheese, cake, ketchup and chocolate were tested and recoveries were generally better than 95% in the concentration ranges normally used in the food industry.",Determination of food preservatives and saccharin by high-performance liquid chromatography.,"['Benzoates', 'Chromatography, High Pressure Liquid', 'Food Analysis', 'Food Preservatives', 'Hydroxybenzoates', 'Saccharin', 'Sorbic Acid']","['analysis', None, None, 'analysis', 'analysis', 'analysis', 'analysis']",,cocoa,0.1,"['methyl, ethyl and propyl esters of p-hydroxybenzoic acid', 'benzoic and sorbic acid', 'saccharin']",1,3
20557115,"The potential of analytical chemistry to predict sensory qualities of food materials is a major current theme. Standard practice is cross-validation (CV), where a set of chemical and associated sensory data is partitioned so chemometric models can be developed on training subsets, and validated on held-out subsets. CV demonstrates prediction, but is an unlikely scenario for industrial operations, where concomitant data acquisition for model development and test materials would be unwieldy. We evaluated cocoa materials of diverse provenance, and analyzed on different dates to those used in model development. Liquor extracts were analyzed by flow-injection electrospray-mass spectrometry (FIE-MS), a novel method for sensory quality prediction. FIE-MS enabled prediction of sensory qualities described by trained human panelists. Optimal models came from the Weka data-mining algorithm SimpleLinearRegression, which learns a model for the attribute giving minimal training error, which was (-)-epicatechin. This flavonoid likewise dominated partial least-squares (PLS)-regression models. Refinements of PLS (orthogonal-PLS or orthogonal signal correction) gave poorer generalization to different test sets, as did support vector machines, whose hyperparameters could not be optimized in training to avoid overfitting. In conclusion, if chemometric overfitting is avoided, chemical analysis can predict sensory qualities of food materials under operationally realistic conditions.",Operationally realistic validation for prediction of cocoa sensory qualities by high-throughput mass spectrometry.,"['Algorithms', 'Cacao', 'Catechin', 'Humans', 'Least-Squares Analysis', 'Principal Component Analysis', 'Sensory Thresholds', 'Spectrometry, Mass, Electrospray Ionization']","[None, 'chemistry', 'chemistry', None, None, None, None, 'methods']",0.0,cocoa,0.015384615384615385,['(-)-epicatechin'],1,1
8900578,"A method for the determination of aspartame (N-L-alpha-aspartyl-L-phenylalanine methyl ester) and its metabolites, applicable on a routine quality assurance basis, is described. Liquid samples (diet Coke, 7-Up, Pepsi, etc.) were injected directly onto a mini-cartridge reversed-phase column on a high-performance liquid chromatographic system, whereas solid samples (Equal, hot chocolate powder, pudding, etc.) were extracted with water. Optimising chromatographic conditions resulted in resolved components of interest within 12 min. The by-products were confirmed by mass spectrometry. Although the method was developed on a two-pump HPLC system fitted with a diode-array detector, it is straightforward and can be transformed to the simplest HPLC configuration. Using a single-piston pump (with damper), a fixed-wavelength detector and a recorder/integrator, the degradation of products can be monitored as they decompose. The results obtained were in harmony with previously reported tedious methods. The method is simple, rapid, quantitative and does not involve complex, hazardous or toxic chemistry.",Simple and rapid high-performance liquid chromatographic method for the determination of aspartame and its metabolites in foods.,"['Aspartame', 'Chromatography, High Pressure Liquid', 'Chromatography, Ion Exchange', 'Food Analysis', 'Mass Spectrometry', 'Spectrophotometry, Ultraviolet']","['metabolism', 'methods', 'methods', None, 'methods', None]",0.0,cocoa,0.044444444444444446,"['aspartame', 'N-L-alpha-aspartyl-L-phenylalanine methyl ester']",1,2
730647,"A method was developed for determining theobromine and caeffine in cocoa and chocolate products by high pressure liquid chromatography. After a simple hot water extraction, both theobromine and caffeine were separated by using a reverse phase C18 column and a mobile phase of methanol-water-acetic acid (20 + 79 + 1). Theobromine and caffeine were quantitated at 280 nm; average recoveries were 98.7 and 95.0%; and coefficients of variation were 2.31 and 3.91%, respectively.",High pressure liquid chromatographic determination of theobromine and caffeine in cocoa and chocolate products.,"['Beverages', 'Cacao', 'Caffeine', 'Chromatography, High Pressure Liquid', 'Solubility', 'Theobromine']","['analysis', 'analysis', 'analysis', 'methods', None, 'analysis']",,cocoa,0.3,"['theobromine', 'caffeine', 'Theobromine', 'caeffine']",1,6
18503248,"Ochratoxin A (OTA), ochratoxin B (OTB) and citrinin (CIT) in commercial foods were simultaneously determined and confirmed with high-performance liquid chromatography (HPLC) and liquid chromatography coupled with tandem mass spectrometry (LC/MS/MS). The samples examined were made up of cereal, fruit, coffee, and cacao products. The limits of quantification (S/N> or =10) of OTA, OTB and CIT were 0.1 microg/kg or less. Aflatoxins (AF), deoxynivalenol (DON) and fumonisins were also surveyed. Of 157 samples examined, 44 were contaminated with OTA at levels of 0.11 to 4.0 microg/kg. At least 2 positive samples were labeled as domestics. In most positive samples, the OTA level was low, less than 1 microg/kg. The highest incidence of OTA was observed in cacao powder (10/12), followed by instant coffee (5/7), cocoa (5/8) and raisin (6/13). OTB was found in fruit and cacao products containing relatively high levels of OTA. Co-occurrence of OTA, CIT and DON was found in cereal products, and co-occurrence of OTA and AF was found in cacao products. Approximately 30% of naturally contaminated OTA in roasted coffee bean moved into the extract solution when brewed with paper filter.","[Investigation of ochratoxin a, B and citrinin contamination in various commercial foods].","['Aflatoxins', 'Cacao', 'Chromatography, High Pressure Liquid', 'Chromatography, Liquid', 'Citrinin', 'Coffee', 'Edible Grain', 'Food Analysis', 'Food Contamination', 'Fruit', 'Fumonisins', 'Ochratoxins', 'Tandem Mass Spectrometry', 'Trichothecenes']","['analysis', 'chemistry', None, None, 'analysis', 'chemistry', 'chemistry', 'methods', 'analysis', 'chemistry', 'analysis', 'analysis', None, 'analysis']",,cocoa,0.3150684931506849,"['ochratoxin B', 'OTA', 'roasted coffee bean', 'CIT', 'fumonisins', 'Aflatoxins', 'Ochratoxin A', 'DON', 'OTB', 'deoxynivalenol']",1,23
5796351,"Six normal men were fed formula diets containing either highly saturated fat (cocoa butter, iodine value 32) or polyunsaturated fat (corn oil, iodine value 125). The sterol balance technique was used to compare the changes in serum cholesterol concentration with the excretion of fecal steroids. The method used for the analysis of fecal steroids was chemical, with a final identification and quantification by gas-liquid chromatography. It was confirmed that the chemical method for fecal steroid analysis was accurate and reproducible. The three dietary periods were each 3 wk in length. In sequence, cocoa butter (period I), corn oil, and cocoa butter (period III) were fed at 40% of the total calories. All diets were cholesterol free, contained similar amounts of plant sterols, and were identical in other nutrients. Corn oil had a hypocholesterolemic effect. Mean serum cholesterol concentrations were 222 mg/100 ml (cocoa butter, period I), 177 during corn oil, and 225 after the return to cocoa butter. Individual fecal steroids were determined from stools pooled for 7 days. Both neutral steroids and bile acids were altered significantly by dietary polyunsaturated fat. The change in bile acid excretion was considerably greater than the change in neutral steroids. Corn oil caused a greater fecal excretion of both deoxycholic and lithocholic acids. The total mean excretion (milligrams per day) of fecal steroids was 709 for cocoa butter (period I), 915 for corn oil, and 629 for the second cocoa butter period. The enhanced total fecal steroid excretion by the polyunsaturated fat of corn oil created a negative cholesterol balance vis-_-vis the saturated fat of cocoa butter. The hypocholesterolemic effect of polyunsaturated fat was associated with total fecal sterol excretion twice greater than the amount of cholesterol calculated to leave the plasma. This finding suggested possible loss of cholesterol from the tissues as well.",Cholesterol balance and fecal neutral steroid and bile acid excretion in normal men fed dietary fats of different fatty acid composition.,"['Adult', 'Bile Acids and Salts', 'Cacao', 'Cholesterol', 'Chromatography', 'Dietary Fats', 'Fats, Unsaturated', 'Feces', 'Humans', 'Lipids', 'Male', 'Oils', 'Phospholipids', 'Sterols', 'Triglycerides', 'Zea mays']","[None, 'analysis', None, 'blood', None, 'metabolism', 'metabolism', 'analysis', None, 'blood', None, None, 'blood', 'analysis', 'blood', None]",2.0,cocoa,0.3181818181818182,"['deoxycholic', 'sterol', 'steroids', 'cocoa butter', 'polyunsaturated', 'iodine', 'acids', 'cholesterol', 'lithocholic acids', 'steroid', 'sterols']",1,28
22175758,"Procyanidins, as important secondary plant metabolites in fruits, berries, and beverages such as cacao and tea, are supposed to have positive health impacts, although their bioavailability is yet not clear. One important aspect for bioavailability is intestinal metabolism. The investigation of the microbial catabolism of A-type procyanidins is of great importance due to their more complex structure in comparison to B-type procyanidins. A-type procyanidins exhibit an additional ether linkage between the flavan-3-ol monomers. In this study two A-type procyanidins, procyanidin A2 and cinnamtannin B1, were incubated in the pig cecum model to mimic the degradation caused by the microbiota. Both A-type procyanidins were degraded by the microbiota. Procyanidin A2 as a dimer was degraded by about 80% and cinnamtannin B1 as a trimer by about 40% within 8 h of incubation. Hydroxylated phenolic compounds were quantified as degradation products. In addition, two yet unknown catabolites were identified, and the structures were elucidated by Fourier transform mass spectrometry.",Intestinal metabolism of two A-type procyanidins using the pig cecum model: detailed structure elucidation of unknown catabolites with Fourier transform mass spectrometry (FTMS).,"['Animals', 'Cecum', 'In Vitro Techniques', 'Intestines', 'Mass Spectrometry', 'Models, Biological', 'Molecular Structure', 'Proanthocyanidins', 'Swine']","[None, 'chemistry', None, 'chemistry', None, None, None, 'chemistry', None]",0.0,cocoa,0.2916666666666667,"['cinnamtannin B1', 'tea', 'Hydroxylated phenolic', 'cacao', 'Procyanidin', 'catabolites', 'procyanidin', 'Procyanidins', 'procyanidins']",1,14
21623500,"In order to determine the levels of ochratoxin A (OTA) in cocoa and cocoa products available in Canada, a previously published analytical method, with minor modifications to the extraction and immunoaffinity clean-up and inclusion of an evaporation step, was initially used (Method I). To improve the low method recoveries (46-61%), 40% methanol was then included in the aqueous sodium bicarbonate extraction solvent (pH 7.8) (Method II). Clean-up was on an Ochratest__¢ immunoaffinity column and OTA was determined by liquid chromatography (LC) with fluorescence detection. Recoveries of OTA from spiked cocoa powder (0.5 and 5 ng g(-1)) were 75-84%; while recoveries from chocolate were 93-94%. The optimized method was sensitive (limit of quantification (LOQ) = 0.07-0.08 ng g(-1)), accurate (recovery = 75-94%) and precise (coefficient of variation (CV) < 5%). It is applicable to cocoa and chocolate. Analysis of 32 samples of cocoa powder (16 alkalized and 16 natural) for OTA showed an incidence of 100%, with concentrations ranging from 0.25 to 7.8 ng g(-1); in six samples the OTA level exceeded 2 ng g(-1), the previously considered European Union limit for cocoa. The frequency of detection of OTA in 28 chocolate samples (21 dark or baking chocolate and seven milk chocolate) was also 100% with concentrations ranging from 0.05 to 1.4 ng g(-1); one sample had a level higher than the previously considered European Union limit for chocolate (1 ng g(-1)).",Ochratoxin A in cocoa and chocolate sampled in Canada.,"['Cacao', 'Candy', 'Chromatography, Affinity', 'Chromatography, High Pressure Liquid', 'Food Contamination', 'Food Handling', 'Hydrogen-Ion Concentration', 'Limit of Detection', 'Ochratoxins', 'Reproducibility of Results', 'Seeds', 'Spectrometry, Fluorescence']","['chemistry', 'analysis', None, None, None, None, None, None, 'analysis', None, 'chemistry', None]",1.0,cocoa,0.14705882352941177,"['ochratoxin A', 'OTA', 'cocoa', 'sodium bicarbonate', 'methanol']",1,10
21623503,"For the analysis of blue-green algal food supplements for cylindrospermopsin (CYN), a C18 solid-phase extraction column and a polygraphitized carbon solid-phase extraction column in series was an effective procedure for the clean-up of extracts. Determination of CYN was by liquid chromatography with ultraviolet light detection. At extract spiking levels of CYN equivalent to 25-500 _µg g(-1), blue-green algal supplement recoveries were in the range 70-90%. CYN was not detected in ten samples of food supplements and one chocolate product, all containing blue-green algae. The limit of detection for the method was 16 _µg g(-1), and the limit of quantification was 52 _µg g(-1).",Determination of the cyanobacterial toxin cylindrospermopsin in algal food supplements.,"['Bacterial Toxins', 'Cacao', 'Candy', 'Carcinogens', 'Chromatography, High Pressure Liquid', 'Cyanobacteria', 'Dietary Supplements', 'Fast Foods', 'Food Contamination', 'Limit of Detection', 'Solid Phase Extraction', 'Spectrophotometry, Ultraviolet', 'Uracil']","['analysis', 'chemistry', 'analysis', 'analysis', None, 'metabolism', 'analysis', 'analysis', None, None, None, None, 'analogs & derivatives']",0.0,cocoa,0.24242424242424243,"['blue-green algal', 'CYN', 'carbon', 'cylindrospermopsin']",1,8
19722709,"The contents of extractable and unextractable proanthocyanidins were determined in a large number of commercial food products of plant origin available in Finland. Proanthocyanidins were extracted with aqueous acetone-methanol and quantified by normal phase high-performance liquid chromatography (HPLC) according to their degree of polymerization. Unextractable proanthocyanidins were analyzed from the extraction residue by reversed phase HPLC after acid-catalyzed depolymerization as free flavan-3-ols (terminal units) and benzylthioethers (extension units). Proanthocyanidins were detected in 49 of 99 selected food items. The highest contents per fresh weight were determined in chokeberries, rose hips, and cocoa products. Berries and fruits were generally the best sources of proanthocyanidins, whereas most of the vegetables, roots, and cereals lacked them completely. Many of the samples contained a significant proportion of insoluble proanthocyanidins, which need to be quantified as well if total proanthocyanidins are studied. Considerable variation was observed in proanthocyanidin contents in berries, which requires further research.",Proanthocyanidins in common food products of plant origin.,"['Chromatography, High Pressure Liquid', 'Edible Grain', 'Finland', 'Fruit', 'Plant Roots', 'Plants, Edible', 'Proanthocyanidins', 'Vegetables']","[None, 'chemistry', None, 'chemistry', 'chemistry', 'chemistry', 'analysis', 'chemistry']",1.0,cocoa,0.14285714285714285,"['proanthocyanidin contents', 'aqueous acetone-methanol', 'proanthocyanidins']",1,7
15472952,"Modified micellar electrokinetic chromatography (MEKC) analysis of monomeric flavanols (catechin and epicatechin) and methylxanthines (caffeine and theobromine) in chocolate and cocoa was performed by using sodium dodecyl sulfate (SDS) as a principal component of the running buffer. Because of the reported poor stability of catechins in alkaline solutions, acidic conditions (pH 2.5) were chosen and consequently the electroosmotic flow (EOF) was significantly suppressed; this resulted in a fast anodic migration of the analytes partitioned into the SDS micelles. Under these conditions, variations of either pH value in acidic range or SDS concentration, showed to be not suitable to modulate the selectivity. To overcome this limit, use of additives to the SDS-based running buffer was successfully applied and three different systems were optimized for the separation of (+)-catechin, (-)-epicatechin, caffeine, and theobromine in chocolate and cocoa powder samples. In particular, two mixed micelle systems were applied; the first consisted of a mixture of SDS and 3-[(3-cholamidopropyl)dimethylammonio]-1-propansulfonate (CHAPS) with a composition of 90 mM and 10 mM, respectively; the second was SDS and taurodeoxycholic acid sodium salt (TDC) with a composition of 70 mM and 30 mM, respectively. A further MEKC approach was developed by addition of 10 mM hydroxypropyl-beta-cyclodextrin (HP-beta-CD) to the SDS solution (90 mM); it provided a useful cyclodextrin(CD)-modified MEKC. By applying the optimized conditions, different separation profiles of the flavanols and methylxanthines were obtained showing interesting potential of these combined systems; their integrated application showed to be useful for the identification of the low level of (+)-catechin in certain real samples. The CD-MEKC approach was validated and applied to the determination of catechins and methylxanthines in aqueous extracts from four different commercial chocolate types (black and milk) and two cocoa powders.",Modified micellar electrokinetic chromatography in the analysis of catechins and xanthines in chocolate.,"['Cacao', 'Calibration', 'Catechin', 'Cholic Acids', 'Chromatography, Micellar Electrokinetic Capillary', 'Micelles', 'Sodium Dodecyl Sulfate', 'Surface-Active Agents', 'Xanthines']","['chemistry', None, 'analysis', 'chemistry', 'methods', None, 'chemistry', 'chemistry', 'analysis']",,cocoa,0.2222222222222222,"['epicatechin', 'theobromine', '3-[(3-cholamidopropyl)dimethylammonio]-1-propansulfonate', 'sodium dodecyl sulfate', '(+)-catechin', 'caffeine', 'catechins', 'taurodeoxycholic acid sodium salt', 'TDC', '(-)-epicatechin', 'flavanols', 'catechin', 'methylxanthines']",1,20
16410875,"This study aimed to evaluate the co-occurrence of caffeine and the extent of its influence as compared to other traditional water quality parameters (microbiological and physico-chemical) in order to characterize it as an efficient indicator of anthropic pollution of urban aquatic environments. Caffeine is an ingredient in a variety of beverages (coffee, tea, and caffeinated soft drinks) and numerous food products (chocolate, pastries, and dairy desserts). Although the human body metabolizes this stimulant efficiently, between 0.5 and 10.0% is excreted, mostly in the urine. Analysis of water samples from the Leopoldina Basin and Guanabara Bay revealed a significant difference between areas not commonly affected by nutrient enrichment or sewage inputs and areas chronically influenced by sewage discharges and elevated eutrophication. Monitoring caffeine will be fundamental in stressed urban aquatic environments where frequent accidental ruptures of sewer lines and discharges of untreated effluents impede effective water quality evaluation with traditional indicators.",Caffeine as an environmental indicator for assessing urban aquatic ecosystems.,"['Brazil', 'Caffeine', 'Chemical Phenomena', 'Chemistry, Physical', 'Chromatography, High Pressure Liquid', 'Cities', 'Ecosystem', 'Environmental Monitoring', 'Fresh Water', 'Humans', 'Multivariate Analysis', 'Waste Disposal, Fluid', 'Water Pollutants, Chemical']","[None, 'analysis', None, None, None, None, None, 'methods', 'chemistry', None, None, None, 'analysis']",0.0,cocoa,0.04918032786885246,"['Caffeine', 'caffeine']",1,3
10457651,"The paper describes a simple gas chromatographic method for quantification of ethanol in distillates of chocolate shell pralines and fillings. The samples were prepared in two steps. The first step consisted of ethanol distillation from the product and the second involved capillary gas chromatography of 10% v/v distillate with expected ethanol content between 0.06% and 2.5% w/w. Quantification was carried out using iso-propanol as internal standard. The range of linear method response was 0.05-3.16% w/w of ethanol, which corresponded to products with ethanol content between 0.5 and 31.6% w/w. The detection limit was 0.0158% w/w and the quantification limit was 0.058% w/w of ethanol with the relative standard deviation of 2.5%.",Determination of ethanol in chocolate shell pralines and filled chocolates by capillary gas chromatography.,"['Cacao', 'Candy', 'Chromatography, Gas', 'Ethanol', 'Food Technology']","[None, 'analysis', 'methods', 'analysis', None]",,cocoa,0.3103448275862069,"['v/v distillate', 'ethanol', 'distillates of chocolate shell pralines', 'iso-propanol']",1,9
11407581,"On-line liquid chromatography-gas chromatography (LC-GC) has been applied to the analysis of steryl esters in cocoa butter. Separation of the steryl esters was achieved after on-line transfer to capillary GC. HPLC removes the large amount of triglycerides and pre-separates the components of interest, thus avoiding time-consuming sample preparation prior to GC analysis. The identities of the compounds were confirmed by GC-MS investigation of the collected HPLC fraction and by comparison of the mass spectra (chemical ionization using ammonia as ionization gas) to those of synthesized reference compounds. Using cholesteryl laurate as internal standard, steryl esters were quantified in commercial cocoa butter samples, the detection limit being 3 mg/kg and the quantification limit 10 mg/kg, respectively. Only slight differences in percentage distributions of steryl esters depending on the geographical origin of the material were observed. The patterns were shown to remain unchanged after deodorization. The method described might be a valuable tool for authenticity assessment of cocoa butter.",Analysis of steryl esters in cocoa butter by on-line liquid chromatography-gas chromatography.,"['Chromatography, Gas', 'Chromatography, High Pressure Liquid', 'Esters', 'Evaluation Studies as Topic', 'Plant Oils', 'Reproducibility of Results', 'Stearic Acids']","['methods', 'methods', 'analysis', None, 'chemistry', None, 'analysis']",1.0,cocoa,0.16981132075471697,"['cholesteryl laurate', 'cocoa butter', 'steryl esters', 'ammonia', 'triglycerides']",1,9
28142090,"The outer portion of the cocoa bean, also known as cocoa husk or cocoa shell (CS), is an agrowaste material from the cocoa industry. Even though raw CS is used as food additive, garden mulch, and soil conditioner or even burnt for fuel, this biomass material has hardly ever been investigated for further modification. This article proposes a strategy of chemical modification of cocoa shell to add value to this natural material. The study investigates the grafting of aryl diazonium salt on cocoa shell. Different diazonium salts were grafted on the shell surface and characterized by infrared spectroscopy and scanning electronic microscopy imaging. Strategies were developed to demonstrate the spontaneous grafting of aryl diazonium salt on cocoa shell and to elucidate that lignin is mainly involved in immobilizing the phenyl layer.",Chemical modification of the cocoa shell surface using diazonium salts.,"['Cacao', 'Diazonium Compounds', 'Lignin', 'Microscopy, Electron, Scanning', 'Spectrophotometry, Infrared']","['anatomy & histology', 'chemistry', 'chemistry', None, None]",1.0,cocoa,0.10869565217391304,"['diazonium', 'lignin', 'aryl diazonium salt', 'cocoa husk or cocoa shell']",1,5
23289516,"Proanthocyanidins and ellagitannins, referred to as ""tannins"", exist in many plant sources. These compounds interact with proteins due to their numerous hydroxyl groups, which are suitable for hydrophobic associations. It was hypothesized that tannins could bind to the digestive enzymes _±-amylase and glucoamylase, thereby inhibiting starch hydrolysis. Slowed starch digestion can theoretically increase satiety by modulating glucose ""spiking"" and depletion that occurs after carbohydrate-rich meals. Tannins were isolated from extracts of pomegranate, cranberry, grape, and cocoa and these isolates tested for effectiveness to inhibit the activity of _±-amylase and glucoamylase in vitro. The compositions of the isolates were confirmed by NMR and LC/MS analysis, and tannin-protein interactions were investigated using relevant enzyme assays and differential scanning calorimetry (DSC). The results demonstrated inhibition of each enzyme by each tannin, but with variation in magnitude. In general, larger and more complex tannins, such as those in pomegranate and cranberry, more effectively inhibited the enzymes than did less polymerized cocoa tannins. Interaction of the tannins with the enzymes was confirmed through calorimetric measurements of changes in enzyme thermal stability.","Inhibition of _±-amylase and glucoamylase by tannins extracted from cocoa, pomegranates, cranberries, and grapes.","['Cacao', 'Calorimetry, Differential Scanning', 'Glucan 1,4-alpha-Glucosidase', 'Hydrolysis', 'Hydrolyzable Tannins', 'Magnetic Resonance Spectroscopy', 'Proanthocyanidins', 'Punicaceae', 'Starch', 'Tandem Mass Spectrometry', 'Vaccinium macrocarpon', 'Vitis', 'alpha-Amylases']","['chemistry', None, 'antagonists & inhibitors', None, 'chemistry', None, 'chemistry', 'chemistry', 'chemistry', None, 'chemistry', 'chemistry', 'antagonists & inhibitors']",0.0,cocoa,0.1643835616438356,"['tannins', 'hydroxyl', 'tannin-protein', 'glucose', 'pomegranate', 'cocoa tannins', 'ellagitannins', 'tannin', 'Proanthocyanidins']",1,12
17517419,"The retention behaviour of several triacylglycerols (TAGs) and fats on Hypercarb, a porous graphitic carbon column (PGC), was investigated in liquid chromatography (LC) under isocratic elution mode with an evaporative light scattering detector (ELSD). Mixtures of chloroform/isopropanol were selected as mobile phase for a suitable retention time to study the influence of temperature. The retention was different between PGC and non-aqueous reversed phase liquid chromatography (NARP-LC) on octadecyl phase. The retention of TAGs was investigated in the interval 30-70 degrees C. Retention was greatly affected by temperature: it decreases as the column temperature increases. Selectivity of TAGs was also slightly influenced by the temperature. Moreover, this chromatographic method is compatible with a mass spectrometer (MS) detector by using atmospheric pressure chemical ionisation (APCI): same fingerprints of cocoa butter and shea butter were obtained with LC-ELSD and LC-APCI-MS. These preliminary results showed that the PGC column could be suitable to separate quickly triacylglycerols in high temperature conditions coupled with ELSD or MS detector.",Analysis of triacylglycerols on porous graphitic carbon by high temperature liquid chromatography.,"['Chromatography, Liquid', 'Graphite', 'Hot Temperature', 'Triglycerides']","['methods', 'chemistry', None, 'analysis']",2.0,cocoa,0.2,"['cocoa butter', 'chloroform/isopropanol', 'shea butter', 'PGC', 'triacylglycerols', 'TAGs', 'non-aqueous', 'carbon']",1,13
24577577,"Hazelnut (Corylus avellana L.) is responsible for a significant part of the allergies related to nuts. Still, it is a very much appreciated nut and as consequence is widely used in all types of processed foods, such as chocolates. Correct food labelling is currently the most effective means of preventing the consumption of allergenic ingredients, namely hazelnut, by the sensitised/allergic individuals. Thus, to verify labelling compliance and to ensure allergic patient protection, the development of highly sensitive methodologies is of extreme importance. In this study, three major methodologies, namely enzyme-linked immunosorbent assays (ELISA), liquid chromatography coupled with mass spectrometry and real-time polymerase chain reaction, were evaluated for their performance regarding the detection of hazelnut allergens in model chocolates. The sandwich ELISA and respective antibodies were in-house developed and produced. With sensitivity levels of approximately 1 mg kg(-1) and limits of quantification of 50-100 mg kg(-1), all the performed methods were considered appropriate for the identification of hazelnut in complex foods such as chocolates. To our knowledge, this was the first successful attempt to develop and compare three independent approaches for the detection of allergens in foods.","Assessing hazelnut allergens by protein- and DNA-based approaches: LC-MS/MS, ELISA and real-time PCR.","['Allergens', 'Cacao', 'Corylus', 'DNA, Plant', 'Enzyme-Linked Immunosorbent Assay', 'Food Analysis', 'Nuts', 'Plant Proteins', 'Real-Time Polymerase Chain Reaction', 'Tandem Mass Spectrometry']","['analysis', 'chemistry', 'chemistry', 'chemistry', 'methods', None, 'chemistry', 'chemistry', 'methods', 'methods']",0.0,cocoa,0.0196078431372549,['Corylus avellana L.'],1,1
26067163,"The natural xanthines caffeine, theobromine, and theophylline are of major commercial importance as flavor constituents in coffee, cocoa, tea, and a number of other beverages. However, their exploitation for authenticity, a requirement in these commodities that have a large origin-based price-range, by the standard method of isotope ratio monitoring by mass spectrometry (irm-MS) is limited. We have now developed a methodology that overcomes this deficit that exploits the power of isotopic quantitative (13)C nuclear magnetic resonance (NMR) spectrometry combined with chemical modification of the xanthines to enable the determination of positional intramolecular (13)C/(12)C ratios (__(13)Ci) with high precision. However, only caffeine is amenable to analysis: theobromine and theophylline present substantial difficulties due to their poor solubility. However, their N-methylation to caffeine makes spectral acquisition feasible. The method is confirmed as robust, with good repeatability of the __(13)Ci values in caffeine appropriate for isotope fractionation measurements at natural abundance. It is shown that there is negligible isotope fractionation during the chemical N-methylation procedure. Thus, the method preserves the original positional __(13)Ci values. The method has been applied to measure the position-specific variation of the (13)C/(12)C distribution in caffeine. Not only is a clear difference between caffeine isolated from different sources observed, but theobromine from cocoa is found to show a (13)C pattern distinct from that of caffeine. ",Position-Specific Isotope Analysis of Xanthines: A (13)C Nuclear Magnetic Resonance Method to Determine the (13)C Intramolecular Composition at Natural Abundance.,"['Carbon-13 Magnetic Resonance Spectroscopy', 'Methylation', 'Xanthines']","['methods', None, 'chemistry']",2.0,cocoa,0.19402985074626866,"['theobromine', 'theophylline', 'caffeine', 'cocoa']",1,13
12166981,"Myosmine has been regarded as a specific tobacco alkaloid until investigations pointed out that nuts and nut products constitute a significant source of myosmine. In the present study it is shown that the occurrence of myosmine is widespread throughout a large number of plant families. Using a method for extraction practicable for all examined foods, quantitative analysis through internal standard addition showed nanograms per gram amounts. Positively tested edibles were staple foods such as maize, rice, wheat flour, millet, potato, and milk and also cocoa, popcorn, tomato, carrot, pineapple, kiwi, and apples. No myosmine was detectable in other vegetables and fruits such as lettuce, spinach, cucumber, onion, banana, tangerines, and grapes. Myosmine is easily nitrosated giving rise to a DNA adduct identical to the esophageal tobacco carcinogen N-nitrosonornicotine. Therefore, the role of dietary myosmine in esophageal adenocarcinoma should be further investigated.","New sources of dietary myosmine uptake from cereals, fruits, vegetables, and milk.","['Adenocarcinoma', 'Alkaloids', 'Animals', 'Edible Grain', 'Esophageal Neoplasms', 'Fruit', 'Gas Chromatography-Mass Spectrometry', 'Milk', 'Vegetables']","['chemically induced', 'administration & dosage', None, 'chemistry', 'chemically induced', 'chemistry', None, 'chemistry', 'chemistry']",1.0,cocoa,0.14,"['Myosmine', 'nitrosated', 'myosmine']",1,7
18052039,"Chocolate is often labeled with percent cocoa solids content. It is assumed that higher cocoa solids contents are indicative of higher polyphenol concentrations, which have potential health benefits. However, cocoa solids include polyphenol-free cocoa butter and polyphenol-rich nonfat cocoa solids (NFCS). In this study the strength of the relationship between NFCS content (estimated by theobromine as a proxy) and polyphenol content was tested in chocolate samples with labeled cocoa solids contents in the range of 20-100%, grouped as dark (n = 46), milk (n = 8), and those chocolates containing inclusions such as wafers or nuts (n = 15). The relationship was calculated with regard to both total polyphenol content and individual polyphenols. In dark chocolates, NFCS is linearly related to total polyphenols (r2 = 0.73). Total polyphenol content appears to be systematically slightly higher for milk chocolates than estimated by the dark chocolate model, whereas for chocolates containing other ingredients, the estimates fall close to or slightly below the model results. This shows that extra components such as milk, wafers, or nuts might influence the measurements of both theobromine and polyphenol contents. For each of the six main polyphenols (as well as their sum), the relationship with the estimated NFCS was much lower than for total polyphenols (r2 < 0.40), but these relationships were independent of the nature of the chocolate type, indicating that they might still have some predictive capabilities.",Predictive relationship between polyphenol and nonfat cocoa solids content of chocolate.,"['Cacao', 'Catechin', 'Chromatography', 'Flavonoids', 'Phenols', 'Polyphenols', 'Theobromine']","['chemistry', 'analysis', None, 'analysis', 'analysis', None, 'analysis']",0.0,cocoa,0.2,"['polyphenol-rich nonfat cocoa solids', 'polyphenols', 'theobromine', 'polyphenol', 'cocoa solids']",1,13
24001847,"New products available for food creations include a wide variety of ""supposed"" food grade aerosol sprays. However, the gas propellants used cannot be considered as safe. The different legislations available did not rule any maximum residue limits, even though these compounds have some limits when used for other food purposes. This study shows a preliminary monitoring of propane, butane and dimethyl ether residues, in cakes and chocolate after spraying, when these gases are used as propellants in food aerosol sprays. Release kinetics of propane, butane and dimethyl ether were measured over one day with sprayed food, left at room temperature or in the fridge after spraying. The alkanes and dimethyl ether analyses were performed by headspace-gas chromatography-mass spectrometry/thermal conductivity detection, using monodeuterated propane and butane generated in situ as internal standards. According to the obtained results and regardingthe extrapolations of the maximum residue limits existing for these substances, different delays should be respected according to the storage conditions and the gas propellant to consume safely the sprayed food. ",New trends in the kitchen: propellants assessment of edible food aerosol sprays used on food.,"['Aerosols', 'Butanes', 'Cooking', 'Food Additives', 'Food Contamination', 'Gas Chromatography-Mass Spectrometry', 'Kinetics', 'Methyl Ethers', 'Propane']","['analysis', 'chemistry', 'instrumentation', 'chemistry', 'analysis', None, None, 'chemistry', 'chemistry']",0.0,cocoa,0.2,"['propane', 'butane', 'dimethyl ether', 'sprays']",1,11
28190808,"In the present study, the resolution parameters and correction factors (CFs) of triacylglycerol (TAG) standards were estimated by gas chromatography-flame ionization detector (GC-FID) to achieve the precise quantification of the TAG composition in edible fats and oils. Forty seven TAG standards comprising capric acid, lauric acid, myristic acid, pentadecanoic acid, palmitic acid, palmitoleic acid, stearic acid, oleic acid, linoleic acid, and/or linolenic acid were analyzed, and the CFs of these TAGs were obtained against tripentadecanoyl glycerol as the internal standard. The capillary column was Ultra ALLOY",Quantification of Triacylglycerol Molecular Species in Edible Fats and Oils by Gas Chromatography-Flame Ionization Detector Using Correction Factors.,"['Canola Oil', 'Chromatography, Gas', 'Dietary Fats', 'Flame Ionization', 'Limit of Detection', 'Palm Oil', 'Plant Oils', 'Triglycerides']","[None, None, 'analysis', None, None, None, 'analysis', 'analysis']",2.0,cocoa,0.47058823529411764,"['oleic acid', 'stearic acid', 'triacylglycerol', 'linolenic acid', 'glycerol', 'linoleic acid', 'palmitic acid', 'TAGs', 'TAG', 'lauric acid', 'pentadecanoic acid', 'palmitoleic acid', 'myristic acid', 'capric acid']",1,16
17711134,"The objective of present work was to comparison of fat and chosen fatty acid in chocolates with, approachable on national market. In the investigations on fat and fatty acids content in the milk chocolates, there were used 14 chocolates, divided into 3 groups either without, with supplements and stuffing. Crude fat content in the chocolates was determined on Soxhlet automatic apparatus. The saturated ad nsaturated acids content was determined using gas chromatographic method. Content of fat and fatty cids in chocolates were differentiation. The highest crude fat content was finding in chocolates with tuffing (31.8%) and without supplements (28.9%). The sum of saturated fatty acids content in fat above 62%) was highest and low differentiation in the chocolates without supplements. Among of saturated and unsaturated fatty acids depended from kind of chocolates dominated, palmitic, stearic, oleic and, linoleic acids. Supplements of nut in chocolates had on influence of high oleic and linoleic level",[Fat and fatty acids chosen in chocolates content].,"['Cacao', 'Candy', 'Chromatography, Gas', 'Dietary Fats', 'Fatty Acids', 'Fatty Acids, Essential', 'Fatty Acids, Unsaturated', 'Food Analysis', 'Linoleic Acids', 'Palmitic Acids', 'Plant Oils', 'Poland', 'Stearic Acids']","['chemistry', 'analysis', None, 'analysis', 'analysis', 'analysis', 'analysis', None, 'analysis', 'analysis', 'analysis', None, 'analysis']",0.0,cocoa,0.2222222222222222,"['unsaturated fatty acids', 'linoleic acids', 'linoleic', 'fatty', 'fatty acids', 'oleic', 'palmitic', 'stearic', 'nsaturated acids', 'saturated fatty acids', 'fatty acid']",1,12
10208658,"Selenium content of 1028 milk and milk products of Turkey are presented in this study. The selenium content of human milk (colostrum, transitional, and mature milk), various kinds of milk [cow, sheep, goat, buffalo, paper boxes (3%, 1.5%, 0.012% fat), bottled milk, condensed milk (10% fat), mineral added milk (1.6%), and banana, strawberry, and chocolate milk] and milk products (kefir, yogurt, Ayran, various cheese, coffee cream, ice cream, butter, margarine, milk powder, and fruit yogurt) in Turkey were determined by a spectrofluorometric method. The selenium levels of cow milks collected from 57 cities in Turkey were also determined. Selenium levels in cow milk varied with geographical location in Turkey and were found to be lowest for Van and highest for Aksaray. The results [milk (cow, sheep, goat, buffalo and human) and milks products] were compared with literature data from different countries.",Selenium content of milk and milk products of Turkey. II.,"['Adult', 'Animals', 'Butter', 'Cheese', 'Female', 'Humans', 'Ice Cream', 'Lactation', 'Milk', 'Milk, Human', 'Selenium', 'Spectrometry, Fluorescence', 'Time Factors', 'Turkey']","[None, None, 'analysis', 'analysis', None, None, 'analysis', None, 'chemistry', 'chemistry', 'analysis', None, None, None]",0.0,cocoa,0.14285714285714285,"['margarine', 'cream', 'Selenium', 'Ayran', 'coffee cream', 'selenium', 'butter']",1,9
9892779,"The aetiology of dental caries is in part related to the retention time of dietary carbohydrates in the oral cavity and their subsequent metabolism by the oral bacteria. Salivary clearance of fermentable carbohydrates from three different foodstuffs was examined in 5 subjects and analyses performed by high-performance anion-exchange chromatography with pulsed amperometric detection. The clearance of glucose, fructose, sucrose, maltose and sorbitol rinses was studied as well as that of chocolate bars, white bread and bananas. Of the sugar rinses studied, sucrose was removed from saliva most rapidly whilst appreciable levels of sorbitol remained even after 1 h. Clearance of residual carbohydrates from bananas and chocolate bars seemed marginally faster than in the case of bread, but sucrose levels still tended to fall more quickly than other carbohydrates studied. Surprisingly, carbohydrate residues from the three foods studied were still present in the mouth even 1 h after ingestion, which is longer than has hitherto been reported.",Human salivary sugar clearance after sugar rinses and intake of foodstuffs.,"['Bread', 'Cacao', 'Carbohydrates', 'Female', 'Fructose', 'Glucose', 'Humans', 'Male', 'Maltose', 'Metabolic Clearance Rate', 'Saliva', 'Sorbitol', 'Sucrose', 'Zingiberales']","['analysis', None, 'analysis', None, 'analysis', 'analysis', None, None, 'analysis', None, 'chemistry', 'analysis', 'analysis', None]",,cocoa,0.29545454545454547,"['fructose', 'sucrose', 'carbohydrates', 'glucose', 'maltose', 'sorbitol', 'carbohydrate']",1,13
22663977,"(-)-Epicatechin, an abundant dietary polyphenol found mainly in cocoa and tea, is known to extensively undergo metabolism after ingestion giving rise to a complex series of conjugated metabolites including numerous isomers. In the present study, the combination of fractionation, chemical derivatization and various mass spectrometric approaches is described to determine the exact position of sulphate group in methylated epicatechin metabolites. Four O-methyl-(-)-epicatechin-O-sulphate metabolites isolated from human urine samples were derivatized under mild condition using trimethylsilyldiazomethane (TMSD) in the presence of methanol. The resulting methylated reaction products were then analyzed by high resolution and multistage mass spectrometry for the subsequent identification of the sulphate positional isomers. Results show that O-methylation affects the charge delocalization in negatively charged ions and hereby the fragmentation pattern of the sulphate isomers allowing the identification of diagnostic ions. In addition, this study demonstrates that methoxy derivatives of polyphenol metabolites can be prepared using TMSD. Subsequently, the localization of the sulphate group in the polyphenol metabolites can be achieved by analyzing the methoxy derivatives by multistage mass spectrometry. Using an enzymatic reaction for identification of the O-methyl position, and a chemical O-methylation with TMSD follow by high resolution and multistage tandem MS for the identification of the sulphate group position, we were able to identify the previously unknown O-methyl-(-)-epicatechin-O-sulphate. Accordingly, we identified 3'-O-methyl-(-)-epicatechin-5-O-sulphate and 3'-O-methyl-(-)-epicatechin-7-O-sulphate as the main O-methyl-(-)-epicatechin-sulfates(-)-epicatechin metabolites in humans.",Identification of O-methyl-(-)-epicatechin-O-sulphate metabolites by mass-spectrometry after O-methylation with trimethylsilyldiazomethane.,"['Catechin', 'Diazomethane', 'Humans', 'Mass Spectrometry', 'Sulfuric Acid Esters', 'Trimethylsilyl Compounds']","['analogs & derivatives', 'analogs & derivatives', None, 'methods', 'analysis', 'chemistry']",0.0,cocoa,0.14492753623188406,"['epicatechin', 'sulphate', 'polyphenol', 'methanol']",1,10
25940929,"This note reports an interesting way to rapidly identify bacteria grown from blood culture bottles. Chocolate agar plates were inoculated with 1 drop of the positive blood bottle medium. After a 3-hour incubation, the growth veil was submitted to MALDI-TOF mass spectrometry: 77% of the bacteria present have been correctly identified. ",MALDI-TOF mass spectrometry for early identification of bacteria grown in blood culture bottles.,"['Bacteria', 'Bacterial Typing Techniques', 'Blood', 'Culture Media', 'Humans', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization', 'Tandem Mass Spectrometry']","['classification', 'methods', 'microbiology', 'metabolism', None, 'methods', 'methods']",0.0,cocoa,0.0,[],1,0
20299763,"The amount and characterization of phytosterol and other minor components present in three Indian minor seed oils, mahua (Madhuca latifolia), sal (Shorea robusta) and mango kernel (Mangifera indica), have been done. Theses oils have shown commercial importance as cocoa-butter substitutes because of their high symmetrical triglycerides content. The conventional thin layer chromatography (TLC), gas chromatography (GC) & gas chromatography-mass spectroscopy (GC-MS) techniques were used to characterize the components and the high performance thin layer chromatography (HPTLC) technique was used to quantify the each group of components. The experimental data showed that the all the three oils are rich in sterol content and among all the sterols, beta-sitosterol occupies the highest amount. Sal oil contains appreciable amount of cardenolides, gitoxigenin. Tocopherol is present only in mahua oil and oleyl alcohol is present in mango kernel oil. Hydrocarbon, squalene, is present in all the three oils. The characterization of these minor components will help to detect the presence of the particular oil in specific formulations and to assess its stability as well as nutritional quality of the specific oil.","Analysis of sterol and other components present in unsaponifiable matters of mahua, sal and mango kernel oil.","['Cardenolides', 'Chromatography, Thin Layer', 'Fatty Alcohols', 'Food Analysis', 'Gas Chromatography-Mass Spectrometry', 'Hydrocarbons', 'Phytosterols', 'Plant Oils', 'Seeds', 'Sitosterols', 'Squalene', 'Tocopherols']","['analysis', None, 'analysis', 'methods', None, 'analysis', 'analysis', 'chemistry', 'chemistry', 'analysis', 'analysis', 'analysis']",0.0,cocoa,0.1896551724137931,"['phytosterol', 'cardenolides, gitoxigenin', 'sterol', 'Tocopherol', 'beta-sitosterol', 'triglycerides', 'squalene', 'alcohol', 'sterols', 'Shorea robusta', 'Madhuca latifolia']",1,11
26833256,"Cocoa tea (Camellia ptilophylla) is a naturally decaffeinated tea plant. Previously we found that cocoa tea demonstrated a beneficial effect against high-fat diet induced obesity, hepatic steatosis, and hyperlipidemia in mice. The present study aimed to investigate the anti-adipogenic effect of cocoa tea in vitro using preadipocytes 3T3-L1. Adipogenic differentiation was confirmed by Oil Red O stain, qPCR and Western blot. Our results demonstrated that cocoa tea significantly inhibited triglyceride accumulation in mature adipocytes in a dose-dependent manner. Cocoa tea was shown to suppress the expressions of key adipogenic transcription factors, including peroxisome proliferator-activated receptor gamma (PPAR __) and CCAAT/enhancer binding protein (C/EBP _±). The tea extract was subsequently found to reduce the expressions of adipocyte-specific genes such as sterol regulatory element binding transcription factor 1c (SREBP-1c), fatty acid synthase (FAS), Acetyl-CoA carboxylase (ACC), fatty acid translocase (FAT) and stearoylcoenzyme A desaturase-1 (SCD-1). In addition, JNK, ERK and p38 phosphorylation were inhibited during cocoa tea inhibition of 3T3-L1 adipogenic differentiation. Taken together, this is the first study that demonstrates cocoa tea has the capacity to suppress adipogenesis in pre-adipocyte 3T3-L1 similar to traditional green tea. ",Cocoa tea (Camellia ptilophylla) water extract inhibits adipocyte differentiation in mouse 3T3-L1 preadipocytes.,"['3T3-L1 Cells', 'Adipocytes', 'Adipogenesis', 'Animals', 'Camellia', 'Cell Differentiation', 'Cell Survival', 'Chromatography, High Pressure Liquid', 'Gene Expression Regulation', 'Mice', 'Mitogen-Activated Protein Kinases', 'Phosphorylation', 'Plant Extracts', 'Tea', 'Transcription Factors', 'Triglycerides', 'Water']","[None, 'cytology', 'drug effects', None, 'chemistry', 'drug effects', 'drug effects', None, 'drug effects', None, 'metabolism', 'drug effects', 'pharmacology', None, 'metabolism', 'metabolism', 'chemistry']",0.0,cocoa,0.265625,"['sterol', 'decaffeinated tea', 'Acetyl-CoA', 'green tea', 'triglyceride', 'cocoa tea', 'Camellia ptilophylla', 'Cocoa tea', 'FAS', 'fatty acid', 'tea extract']",1,17
15080647,"Normal-phase liquid chromatography/mass spectrometry (LC/MS) was used to determine the levels and fate of procyanidins in frozen and canned Ross clingstone peaches as well as in the syrup used in the canning over a 3 month period. Procyanidin oligomers, monomers through undecamers, were identified in Ross clingstone peaches. Optimized methods allowed for the quantitation of oligomers through octamers. The profile of procyanidins in peaches is similar to profiles found in grapes, chocolate, and beverages linked to health benefits such as tea and wine. The monomer content in frozen peeled peaches was found to be 19.59 mg/kg. Dimers (39.59 mg/kg) and trimers (38.81 mg/kg) constituted the largest percent composition of oligomers in the peaches. Tetramers through octamers were present in levels of 17.81, 12.43, 10.62, 3.94 and 1.75 mg/kg, respectively. Thermal processing resulted in an 11% reduction in monomers, a 9% reduction in dimers, a 12% reduction in trimers, a 6% reduction in tetramers, and a 5% reduction in pentamers. Hexamers and heptamers demonstrated an approximate 30% loss, and octamers were no longer detected. Analysis of the syrup after thermal processing indicates that there is a migration of procyanidin monomers through hexamers into the syrup that can account for the losses observed during the canning process. Storage of canned peaches for 3 months demonstrated a time-related loss in higher oligomers and that by 3 months oligomers larger than tetramers are not observed. At 3 months postcanning, levels of monomers had decreased by 10%, dimers by 16%, trimers by 45%, and tetramers by 80%. A similar trend was observed in the canning syrup.",Liquid chromatography/mass spectrometry investigation of the impact of thermal processing and storage on peach procyanidins.,"['Biflavonoids', 'Catechin', 'Chromatography, High Pressure Liquid', 'Hot Temperature', 'Mass Spectrometry', 'Proanthocyanidins', 'Prunus']","[None, 'analysis', None, None, None, None, 'chemistry']",0.0,cocoa,0.11494252873563218,"['clingstone', 'Procyanidin oligomers', 'syrup', 'procyanidin', 'procyanidins']",1,10
25727461,"The scarce availability of nongenetically modified soybeans on the world market represents a growing problem for food manufacturers. Hence, in this study the effects of substituting soybean with sunflower lecithin were investigated with regard to chocolate production. The glycerophospholipid pattern of the different lecithin samples was investigated by high-performance thin-layer chromatography fluorescence detection (HPTLC-FLD) and by HPTLC-positive ion electrospray ionization mass spectrometry (ESI(+)-MS) via the TLC-MS Interface and by scanning HPTLC-matrix-assisted laser desorption ionization-time-of-flight mass spectrometry (MALDI-TOFMS). Especially, the contents of phosphatidylcholine (PC) and phosphatidylethanolamine (PE) were of interest due to the influencing effects of these two glycerophospholipids on the rheological parameters of chocolate production. The lecithin substitution led to only slight differences in the rheological parameters of milk and dark chocolate. Limits of detection (LODs) and limits of quantification (LOQs) of seven glycerophospholipids were studied for three detection modes. Mean LODs ranged from 8 to 40 mg/kg for HPTLC-FLD and, using a single-quadrupole MS, from 10 to 280 mg/kg for HPTLC-ESI(+)-MS as well as from 15 to 310 mg/kg for HPTLC-FLD-ESI(+)-MS recorded after derivatization with the primuline reagent. ",Comparison and characterization of soybean and sunflower lecithins used for chocolate production by high-performance thin-layer chromatography with fluorescence detection and electrospray mass spectrometry.,"['Animals', 'Cacao', 'Chromatography, Thin Layer', 'Food Additives', 'Helianthus', 'Lecithins', 'Milk', 'Soybeans', 'Spectrometry, Mass, Electrospray Ionization']","[None, 'chemistry', 'methods', 'chemistry', 'chemistry', 'chemistry', 'chemistry', 'chemistry', 'methods']",0.0,cocoa,0.09433962264150944,"['PE', 'phosphatidylethanolamine', 'phosphatidylcholine', 'sunflower lecithin', 'LOQs']",1,5
27132838,"Assessment of the flavanol composition of 41 commercial chocolates was by HPLC-DAD. Among individual flavonols ranged from 0.095 to 3.264mgg(-1), epicatechin was the predominant flavanol accounting for 32.9%. Contrary to catechin, epicatechin was a reliable predictive value of the polyphenol content. Conversely the percentage of theobromine used as a proxy measure for nonfat cocoa solids (NFCS) was not a good predictor of epicatechin or flavanol content. In a further chiral analysis, the naturally occurring forms of cocoa flavanols, (-)-epicatechin and (+)-catechin, was determined joint the occurrence of (+)-epicatechin and (-)-catechin due to the epimerization reactions produced in chocolate manufacture. (-)-Epicatechin, the most bioactive compound and predominant form accounted of 93%. However, no positive correlation was found with% cocoa solids, the most significant quality parameter. ",Assessment of flavanol stereoisomers and caffeine and theobromine content in commercial chocolates.,"['Biflavonoids', 'Cacao', 'Caffeine', 'Catechin', 'Chocolate', 'Chromatography, High Pressure Liquid', 'Flavonoids', 'Food Analysis', 'Polyphenols', 'Proanthocyanidins', 'Stereoisomerism', 'Theobromine', 'Xanthines']","['analysis', 'chemistry', 'analysis', 'analysis', 'analysis', None, 'analysis', None, 'analysis', 'analysis', None, 'analysis', 'analysis']",0.0,cocoa,0.358974358974359,"['epicatechin', 'cocoa flavanols', 'flavanol', 'theobromine', 'flavonols', '(-)-Epicatechin', '(+)-catechin', 'polyphenol', 'catechin', '(-)-epicatechin']",1,14
28317738,"The presence of 4-methylimidazole (4-MEI), 2-methylimidazole (2-MEI) and 2-acetyl-4-tetrahydroxybutylimidazole (THI) in some foods may result from the usage of caramel colorants E150c and E150d as food additives. This study demonstrates that alkylimidazoles are also byproducts formed from natural constituents in foods during thermal processes. A range of heat-processed foods that are known not to contain caramel colorants were analyzed by isotope dilution LC-MS/MS to determine the contamination levels. Highest 4-MEI concentrations (up to 466_µg/kg) were observed in roasted barley, roasted malt and cocoa powders, with the concomitant presence of 2-MEI and/or THI in some cases, albeit at significantly lower levels. Low amounts of 4-MEI (<20_µg/kg) were also detected in cereal-based foods such as breakfast cereals and bread toasted to a brown color (medium toasted). The occurrence of 4-MEI in certain processed foods is therefore not a reliable indicator of the presence of the additives E150c or E150d.",Process-induced formation of imidazoles in selected foods.,"['Chromatography, Liquid', 'Food Additives', 'Food Handling', 'Imidazoles', 'Mass Spectrometry']","['methods', 'chemistry', 'methods', 'chemistry', 'methods']",1.0,cocoa,0.13793103448275862,"['roasted barley, roasted malt and cocoa powders', '2-acetyl-4-tetrahydroxybutylimidazole', 'caramel colorants', '4-methylimidazole', '2-methylimidazole', 'THI']",1,8
19348428,"Hazelnut is one of the most important items in high-quality food products from Piedmont, Italy. The 'Tonda Gentile delle Langhe' (TGL) variety is acknowledged all over the world as the best one, and it is particularly appreciated when used to provide flavor in chocolate products. Authentication and/or traceability studies must therefore be developed to safeguard this variety against fraud, which can occur when the product is partially or totally substituted with hazelnuts of lower quality. In this work, a classification of hazelnuts from different countries is presented, showing the possibility to discriminate the TGL from other productions on the basis of the distribution of trace elements as determined by means of inductively coupled plasma-mass spectrometry (ICP-MS), with particular reference to lanthanides. Accuracy of the sample treatment procedure was tested by analysis of biological certified materials. Data from elemental analysis were chemometrically treated with an unsupervised method, such as principal component analysis (PCA), allowing for a good discrimination among groups.","Authentication and traceability study of hazelnuts from piedmont, Italy.","['Corylus', 'Fraud', 'Italy', 'Lanthanoid Series Elements', 'Mass Spectrometry', 'Nuts', 'Soil', 'Trace Elements']","['chemistry', 'prevention & control', None, 'analysis', 'methods', 'chemistry', 'analysis', 'analysis']",0.0,cocoa,0.044444444444444446,"['lanthanides', 'Hazelnut']",1,2
16934398,"A simple, reliable and rapid method for preconcentration and determination of lead using octadecyl bonded silica membrane disk impregnated with Cyanex302 and flame atomic absorption spectrometry is presented. The influence of aqueous phase pH, type of eluent, flow rates of sample solution and eluent, volume of eluent and amount of extractant has been investigated. The break through volume is greater than 4.0 dm(3) with an enrichment factor of more than 400 and a detection limit of 1.0microg dm(-3). The method developed for determination of lead is good as six replicate determinations using 100cm(3) solution containing lead in the range 1-4900microg provides a relative standard deviation (R.S.D.) of 0.4%. The selectivity of the proposed method was confirmed from the interference studies. The developed procedure was successfully applied for the determination of lead in spiked sea water, USGS standard soil sample, sludge and industrial effluents, medicinal formulation, plant, some food products and wine.",Solid phase extraction of lead on octadecyl bonded silica membrane disk modified with Cyanex302 and determination by flame atomic absorption spectrometry.,"['Adsorption', 'Cacao', 'Camellia sinensis', 'Environmental Pollutants', 'Food Analysis', 'Industrial Waste', 'Lead', 'Phosphinic Acids', 'Piper nigrum', 'Plant Extracts', 'Plants, Medicinal', 'Seawater', 'Silicon Dioxide', 'Solid Phase Extraction', 'Spectrophotometry, Atomic', 'Wine']","[None, 'chemistry', 'chemistry', 'analysis', None, 'analysis', 'analysis', 'chemistry', 'chemistry', 'chemistry', 'chemistry', 'analysis', 'chemistry', None, None, 'analysis']",1.0,cocoa,0.020833333333333332,['extractant'],1,1
19424684,"A new micro-solid phase extraction (micro-SPE) procedure based on titanium dioxide microcolumns was developed for the selective extraction of phospholipids (PLs) from dairy products before matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS) analysis. All the extraction steps (loading, washing, and elution) have been optimized using a synthetic mixture of PLs standard and the procedure was subsequently applied to food samples such as milk, chocolate milk and butter. The whole method demonstrated to be simpler than traditional approaches and it appears very promising for a rapid PLs screening and characterization also in biological matrices.",Selective extraction of phospholipids from dairy products by micro-solid phase extraction based on titanium dioxide microcolumns followed by MALDI-TOF-MS analysis.,"['Dairy Products', 'Phospholipids', 'Solid Phase Microextraction', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization', 'Tandem Mass Spectrometry', 'Titanium']","['analysis', 'analysis', 'instrumentation', 'methods', 'methods', 'chemistry']",0.0,cocoa,0.14285714285714285,"['PLs', 'titanium dioxide', 'phospholipids']",1,4
10563922,"Monomeric and oligomeric procyanidins present in cocoa and chocolate were separated and identified using a modified normal-phase high-performance liquid chromatography (HPLC) method coupled with on-line mass spectrometry (MS) analysis using an atmospheric pressure ionization electrospray chamber. The chromatographic separation was achieved using a silica stationary phase in combination with a gradient ascending in polarity. This qualitative report confirms the presence of a complex series of procyanidins in raw cocoa and certain chocolates using HPLC/MS techniques. Although both cocoa and chocolate contained monomeric and oligomeric procyanidin units 2-10, only use of negative mode provided MS data for the higher oligomers (i.e., >pentamer). Application of this method for qualitative analysis of proanthocyanidins in other food products and confirmation of this method as a reliable quantitative tool for determining levels of procyanidins in cocoa, chocolate, and other food products are currently being investigated.",Identification of procyanidins in cocoa (Theobroma cacao) and chocolate using high-performance liquid chromatography/mass spectrometry.,"['Biflavonoids', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Mass Spectrometry', 'Proanthocyanidins']","[None, 'chemistry', 'chemistry', None, None, None]",0.0,cocoa,0.10204081632653061,"['proanthocyanidins', 'procyanidin', 'procyanidins']",1,5
25529702,"The extraction capabilities of a Diamond Hydride__¢ phase, as well as silica hydride phases modified with bidentate octadecyl (BDC(18)), phenyl or cholesteryl groups, were evaluated for the analysis of fatty acids, amino acids, sugars and sterols in a dark chocolate extract. These batch adsorption performances were investigated using either methanol or aqueous methanol as the solvent. The compositions of the extracted fractions were assessed by gas chromatography interfaced with quadrupole mass spectrometry (GC-qMS). The batch binding propensities of the various compound classes with silica hydride particles modified with immobilised phenyl groups or larger ligands followed trends predicted from linear solvation energy relationships. Both prediction and experiment revealed that better extraction results could be obtained with the phenyl, BDC(18) and cholesteryl hydride particles for the major chocolate components. Based on these results, separations in micro-pipette tip format with these three types of stationary phase particles have been undertaken.",Comparison of the performance of different silica hydride particles for the solid-phase extraction of non-volatile analytes from dark chocolate with analysis by gas chromatography-quadrupole mass spectrometry.,"['Adsorption', 'Cacao', 'Carbohydrates', 'Fatty Acids', 'Food Analysis', 'Gas Chromatography-Mass Spectrometry', 'Methanol', 'Silicates', 'Solid Phase Extraction', 'Sterols', 'Water']","[None, 'chemistry', 'analysis', 'analysis', None, None, 'analysis', 'chemistry', None, 'analysis', 'chemistry']",0.0,cocoa,0.24,"['Hydride__¢', 'sugars', 'cholesteryl hydride', 'amino acids', 'fatty acids', 'phenyl', 'methanol', 'aqueous methanol', 'silica hydride', 'sterols', 'cholesteryl']",1,12
20371968,"This work has been carried out to investigate the conditions which lead to removal of the biogenic amines through the model system. Also, the main goal of this research work is trying to remove biogenic amines; histamine and tyramine, from some Egyptian foods such as tomato, strawberry, banana and mango to prevent their allergy effect. Histamine and tyramine have been affected by pyrogallol, catechol, starch, ascorbic and chlorogenic acids at different levels with different conditions. Some natural additives like glucose, spices, milk, vanillin, starch, orange juice, ascorbic and citric acids, showed an effective effect on disappearance of histamine and tyramine. By studying the effect of some additives on biogenic amines, it was found that tomato showed a decrease in histamine and tyramine concentrations by adding spices. Strawberry and banana showed a clear decrease in histamine and tyramine concentrations by treating them with ascorbic acid. Treating mango by milk led to increase of histamine level while milk with chocolate increases both histamine and tyramine concentrations.","High performance liquid chromatography, thin layer chromatography and spectrophotometric studies on the removal of biogenic amines from some Egyptian foods using organic, inorganic and natural compounds.","['Chromatography, High Pressure Liquid', 'Chromatography, Thin Layer', 'Egypt', 'Food Analysis', 'Food Handling', 'Histamine', 'Spectrophotometry', 'Tyramine']","['methods', 'methods', None, 'methods', None, 'analysis', 'methods', 'analysis']",0.0,cocoa,0.3880597014925373,"['tyramine', 'starch', 'ascorbic acid', 'glucose', 'amines', 'histamine', 'pyrogallol', 'Strawberry', 'chlorogenic acids', 'catechol', 'Histamine', 'ascorbic', 'citric acids']",1,26
9214759,"The amino acid sequence of 6.5k-arginine/glutamate rich polypeptide (6.5k-AGRP) from the seeds of sponge gourd (Luffa cylindrica) has been determined. The 6.5k-AGRP consists of a 47-residue polypeptide chain containing two disulfide bonds, and a molecular mass calculated to be 5695 Da, which fully coincides with a value of [M+H]+ = m/zeta 5693.39 obtained by matrix-assisted laser desorption ionization time of flight mass spectrometry (MALDI-TOF MS). The mass spectrometric evidence indicated that 6.5k-AGRP is also present partially truncated at the C-terminus. In our preparations, approximately half of the polypeptide molecules have the C-terminal sequence Arg-Arg-Glu-Val-Asp; the other half lack Val-Asp and end with the glutamic acid, making a total of 45 residues in the polypeptide chain. The two disulfide bonds connect Cys12 to Cys33 and Cys16 to Cys29. Comparison of the amino acid sequence of 6.5k-AGRP with those of the other known proteins included in the PIR protein sequence database showed that it is related to the amino acid sequence of the N-terminal region encoded by the first exon of the cocoa (Theobroma cacao) and cotton seeds vicilin genes, sharing a characteristic two Cys-Xaa-Xaa-Xaa-Cys motif.",Primary structure of 6.5k-arginine/glutamate-rich polypeptide from the seeds of sponge gourd (Luffa cylindrica).,"['Amino Acid Sequence', 'Animals', 'Arginine', 'Chromatography, High Pressure Liquid', 'Glutamic Acid', 'Molecular Sequence Data', 'Molecular Weight', 'Peptides', 'Plant Proteins', 'Seeds', 'Sequence Homology, Amino Acid', 'Serine Endopeptidases', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization', 'Vegetables']","[None, None, 'chemistry', None, 'chemistry', None, None, 'chemistry', 'chemistry', 'chemistry', None, 'isolation & purification', None, 'chemistry']",0.0,cocoa,0.16279069767441862,"['Cys16', 'Theobroma cacao', 'amino acid', 'Cys29', 'glutamic acid']",1,7
12607924,"A simple method for the determination of sucralose in various foods using liquid chromatography-electrospray ionization tandem mass spectrometry (LC/MS/MS) was developed. Sucralose was extracted with water or methanol, and the extract was cleaned up on a C18 cartridge, and diluted with water for injection into the LC/MS/MS. The LC separation was performed with a reversed-phase gradient on an ODS column, and the mass spectral acquisition was done in the negative ion mode by applying selected reaction monitoring (SRM). The recoveries of sucralose from various kinds of foods fortified at 100 micrograms/g and 5 micrograms/g were 88.1-96.7% and 92.7-98.5%, respectively. The lower limits of quantification were 0.5 microgram/g in beverage, low-malt beer, yogurt and chocolate and 2.5 micrograms/g in other foods. Forty-three commercial foods containing sucralose were analyzed by this method. Sucralose was detected in all samples at levels of 3.8-481 micrograms/g.",[Determination of sucralose in foods by liquid chromatography/tandem mass spectrometry].,"['Chromatography, Liquid', 'Food Analysis', 'Mass Spectrometry', 'Sucrose']","['methods', 'methods', 'methods', 'analogs & derivatives']",,cocoa,0.16279069767441862,"['ODS', 'Sucralose', 'methanol', 'sucralose']",1,7
21329356,"Key odorants in roasted pistachio nuts have been determined for the first time. Two different pistachio varieties (Fandooghi and Kerman) have been analyzed by means of headspace solid-phase microextraction (HS-SPME) and gas chromatography-olfactometry (GCO). The aroma extract dilution analyses (AEDA) applied have revealed 46 and 41 odor-active regions with a flavor dilution (FD) factor___64 for the Fandooghi and the Kerman varieties, respectively, and 39 of them were related to precisely identified compounds. These included esters, pyrazines, aldehydes, acids, furans, and phenols. The results show that the Fandooghi variety presents, not only more odor-active regions but also higher FD factors than the Kerman variety that can lead to the conclusion that the first variety has a richer aromatic profile than the second one. The descriptive sensory analysis (DSA) showed that the roasted, chocolate/coffee, and nutty attributes were rated significantly higher in the Fandooghi variety, whereas the green attribute was significantly higher in the Kerman one.",Determination of roasted pistachio (Pistacia vera L.) key odorants by headspace solid-phase microextraction and gas chromatography-olfactometry.,"['Chromatography, Gas', 'Food Handling', 'Odorants', 'Pistacia', 'Plant Extracts', 'Solid Phase Microextraction', 'Volatilization']","['methods', None, 'analysis', 'chemistry', 'chemistry', 'methods', None]",0.0,cocoa,0.38461538461538464,"['HS-SPME', 'headspace', 'Fandooghi', 'esters', 'phenols', 'chocolate/coffee', 'AEDA', 'aldehydes', 'acids', 'roasted pistachio nuts', 'furans', 'aroma extract']",1,15
18020409,"Ochratoxin A is an important mycotoxin that can enter the human food chain in cereals, wine, coffee, spices, beer, cocoa, dried fruits, and pork meats. Coffee is one of the most common beverages and, consequently, it has a potential risk factor for human health related to ochratoxin A exposure. In this study, coffee and corresponding byproducts from seven different geographic regions were investigated for ochratoxin A natural occurrence by HPLC-FLD, nutritional characterization, and antioxidant activities by spectrophotometric assay. The research focused on composition changes in coffee during the processing step ""from field to cup"". Costa Rica and Indian green coffees were the most contaminated samples, with 13 and 11 microg/kg, respectively, while the Ethiopian coffee was the least contaminated, with 3.8 microg/kg of ochratoxin A. The reduction of ochratoxin A contamination during the roasting step was comparable for any samples that were considered under the recommended level of 4 microg/kg. Total dietary fibers ranged from 58.7% for Vietnam and 48.6% for Ivory Coast in green coffees and ranged from 58.6% for Costa Rica to 61.2% for India in roasted coffee. Coffee silverskin byproduct obtained from Ivory Coast was the highest, with 69.2 and 64.2% of insoluble dietary fibers, respectively.",Natural occurrence of ochratoxin A and antioxidant activities of green and roasted coffees and corresponding byproducts.,"['Antioxidants', 'Carcinogens', 'Chromatography, High Pressure Liquid', 'Coffea', 'Coffee', 'Food Contamination', 'Hot Temperature', 'Mycotoxins', 'Ochratoxins', 'Seeds']","['analysis', 'analysis', None, 'chemistry', 'chemistry', 'analysis', None, None, 'analysis', 'chemistry']",0.0,cocoa,0.14285714285714285,"['ochratoxin A', 'green coffees', 'ochratoxin A.', 'Ochratoxin A', 'roasted coffee', 'Coffee']",1,9
16859691,"Here, we report on the optimisation and validation of a liquid chromatographic method for the determination of 12 biologically active amines from vegetal food products in a single 40-min run. The suitability of the method was checked in five vegetal products of distinct matrix: spinach (leaves), hazelnut (high protein and fat content), banana, potato (high starch content), and milk chocolate (processed). Sample preparation consisted of a 0.6 M perchloric acid extraction from a minced homogeneous aliquot. For samples with high starch content, a previous mild hydrolytic treatment was required to prevent gel formation. The range of linearity was from 0.1 to 10 mg/l, except for serotonin and spermine (from 0.5 to 10 mg/l), and the correlation coefficient was higher than 0.997 (P < 0.001) for all standard curves. The detection limits and the determination limit were below 0.07 and 0.2 mg/l, respectively, except for spermine, which was 0.14 and 0.4 mg/l. The precision of the method was satisfactory; the relative standard deviation obtained for each amine in each product was acceptable according to Horwitz. Recovery was between 77 and 110% for all amines, irrespective of the product.",Improved method for the determination of biogenic amines and polyamines in vegetable products by ion-pair high-performance liquid chromatography.,"['Biogenic Amines', 'Chromatography, High Pressure Liquid', 'Food Analysis', 'Polyamines', 'Reproducibility of Results', 'Vegetables']","['analysis', 'methods', 'methods', 'analysis', None, 'chemistry']",0.0,cocoa,0.13725490196078433,"['amines', 'spermine', 'amine', 'serotonin', 'perchloric acid']",1,7
24817360,"The on-line combination of comprehensive two-dimensional liquid chromatography (LC_______LC) with the 2,2'-azino-bis(3-ethylbenzothiazoline)-6 sulphonic acid (ABTS) radical scavenging assay was investigated as a powerful method to determine the free radical scavenging activities of individual phenolics in natural products. The combination of hydrophilic interaction chromatography (HILIC) separation according to polarity and reversed-phase liquid chromatography (RP-LC) separation according to hydrophobicity is shown to provide much higher resolving power than one-dimensional separations, which, combined with on-line ABTS detection, allows the detailed characterisation of antioxidants in complex samples. Careful optimisation of the ABTS reaction conditions was required to maintain the chromatographic separation in the antioxidant detection process. Both on-line and off-line HILIC_______RP-LC-ABTS methods were developed, with the former offering higher throughput and the latter higher resolution. Even for the fast analyses used in the second dimension of on-line HILIC_______RP-LC, good performance for the ABTS assay was obtained. The combination of LC_______LC separation with an on-line radical scavenging assay increases the likelihood of identifying individual radical scavenging species compared to conventional LC-ABTS assays. The applicability of the approach was demonstrated for cocoa, red grape seed and green tea phenolics.",Comprehensive two-dimensional liquid chromatography coupled to the ABTS radical scavenging assay: a powerful method for the analysis of phenolic antioxidants.,"['Antioxidants', 'Benzothiazoles', 'Cacao', 'Chemistry Techniques, Analytical', 'Chromatography, High Pressure Liquid', 'Chromatography, Reverse-Phase', 'Free Radicals', 'Phenols', 'Plant Extracts', 'Sulfonic Acids', 'Tea', 'Vitis']","['analysis', 'analysis', 'chemistry', 'methods', 'methods', 'methods', 'analysis', 'analysis', 'analysis', 'analysis', 'chemistry', 'chemistry']",0.0,cocoa,0.1076923076923077,"['grape seed', 'on-line ABTS', 'green tea', 'ABTS', 'LC___\x90____LC', 'sulphonic acid']",1,7
3356285,"A UK survey of plasticizer levels in retail foods (73 samples) wrapped in plasticized films or materials with plasticized coatings has been carried out. A wide range of different food-types packaged in vinylidene chloride copolymers (PVDC), nitrocellulose-coated regenerated cellulose film (RCF) and cellulose acetate were purchased from retail and 'take-away' outlets. Plasticizers found in these films were dibutyl sebacate (DBS) and acetyl tributyl citrate (ATBC) in PVDC, dibutyl phthalate (DBP), dicyclohexyl phthalate (DCHP), butylbenzyl phthalate (BBP), and diphenyl 2-ethylhexyl phosphate (DPOP) in RCF coatings, and diethyl phthlate (DEP) in cellulose acetate. Foodstuffs analysed included cheese, pate, chocolate and confectionery products, meat pies, cake, quiches and sandwiches. Analysis was by stable isotope dilution GC/MS for DBP, DCHP and DEP, GC/MS (selected ion monitoring) for BBP and DPOP, and GC with flame ionization detection for DBS and ATBC, but with mass spectrometric confirmation. Levels of plasticizers found in foods were in the following ranges: ATBC in cheese, 2-8 mg/kg; DBS in processed cheese and cooked meats, 76-137 mg/kg; 76-137 mg/kg; DBP, DCHP, BBP, and DPOP found individually or in combination in confectionery, meat pies, cake and sandwiches, total levels from 0.5 to 53 mg/kg; and DEP in quiches, 2-4 mg/kg.","Migration from plasticized films into foods. 3. Migration of phthalate, sebacate, citrate and phosphate esters from films used for retail food packaging.","['Chromatography, Gas', 'Chromatography, Gel', 'Citrates', 'Dicarboxylic Acids', 'Food Contamination', 'Food Handling', 'Gas Chromatography-Mass Spectrometry', 'Organophosphates', 'Phthalic Acids', 'Plasticizers', 'United Kingdom']","[None, None, 'analysis', 'analysis', 'analysis', None, None, 'analysis', 'analysis', 'analysis', None]",,cocoa,0.14942528735632185,"['diphenyl 2-ethylhexyl phosphate', 'phthalate', 'BBP', 'cellulose acetate', 'dibutyl sebacate', 'vinylidene chloride copolymers', 'DEP', 'diethyl phthlate', 'acetyl tributyl citrate', 'dibutyl phthalate', 'Foodstuffs', 'dicyclohexyl phthalate']",1,13
24699984,"In the 1980s, a novel tea species, Cocoa tea (Camellia ptilophylla Chang), was discovered in Southern China with surprisingly low caffeine content (0.2% by dry weight). Although its health promoting characteristics have been known for a while, a very limited amount of scientific research has been focused on Cocoa tea. Herein, a systematic study on Cocoa tea and its chemical components, interactions and bioactivities was performed. YD tea (Yunnan Daye tea, Camellia sinensis), a tea species with a high caffeine content (5.8% by dry weight), was used as a control. By UV-Vis spectrometry, High Performance Liquid Chromatography (HPLC), and Flame Atomic Absorption Spectrometry (FAAS) for chemical composition analysis, C-2 epimeric isomers of tea catechins and theobromine were found to be the major catechins and methylxanthine in Cocoa tea, respectively. More gallated catechins, methylxanthines, and proteins were detected in Cocoa tea compared with YD tea. Moreover, the tendency of major components in Cocoa tea for precipitation was significantly higher than that in YD tea. Catechins, methylxanthines, proteins, iron, calcium, and copper were presumed to be the origins of molecular interactions in Cocoa tea and YD tea. The interactions between catechins and methylxanthines were highly related to the galloyl moiety in catechins and methyl groups in methylxanthines. In vitro anti-inflammatory activity assays revealed that Cocoa tea was a more potent inhibitor of nitric oxide (NO) in lipopolysaccharide (LPS)-stimulated macrophage cells (RAW 264.7) than YD tea. This study constructs a solid phytochemical foundation for further research on the mechanisms of molecular interactions and the integrated functions of Cocoa tea. ","Interactions among chemical components of Cocoa tea (Camellia ptilophylla Chang), a naturally low caffeine-containing tea species.","['Animals', 'Anti-Inflammatory Agents', 'Antioxidants', 'Caffeine', 'Camellia', 'Camellia sinensis', 'Catechin', 'Cell Line, Tumor', 'China', 'Chromatography, High Pressure Liquid', 'Lipopolysaccharides', 'Mice', 'Nitric Oxide', 'Phytochemicals', 'Plant Extracts', 'Plant Leaves', 'Polyphenols', 'Tea', 'Xanthines']","[None, None, 'chemistry', 'analysis', 'chemistry', 'chemistry', 'analogs & derivatives', None, None, None, 'adverse effects', None, 'adverse effects', 'chemistry', 'chemistry', 'chemistry', 'chemistry', 'chemistry', 'chemistry']",0.0,cocoa,0.4819277108433735,"['YD tea', 'NO', 'nitric oxide', 'theobromine', 'methyl', 'tea catechins', 'catechins', 'methylxanthine', 'calcium', 'galloyl', 'lipopolysaccharide', 'Catechins', 'C-2', 'iron', 'copper', 'Yunnan Daye tea', 'caffeine', 'Camellia', 'Cocoa tea', 'methylxanthines']",1,40
16848541,"Isolation of the volatile fraction from cocoa powder (50 g; 20% fat content) by a careful extraction/distillation process followed by application of an aroma extract dilution analysis revealed 35 odor-active constituents in the flavor dilution (FD) factor range of 8-4096. Among them, 4-hydroxy-2,5-dimethyl-3(2H)-furanone (caramel-like), 2- and 3-methylbutanoic acid (sweaty, rancid), dimethyl trisulfide (cooked cabbage), 2-ethyl-3,5-dimethylpyrazine (potato-chip-like), and phenylacetaldehyde (honey-like) showed the highest FD factors. Quantitation of 31 key odorants by means of stable isotope dilution assays, followed by a calculation of their odor activity values (OAVs) (ratio of concentration to odor threshold) revealed OAVs>100 for the five odorants acetic acid (sour), 3-methylbutanal (malty), 3-methylbutanoic acid, phenylacetaldehyde, and 2-methylbutanal (malty). In addition, another 19 aroma compounds showed OAVs>1. To establish their contribution to the overall aroma of the cocoa powder, these 24 compounds were added to a reconstructed cocoa matrix in exactly the same concentrations as they occurred in the cocoa powder. The matrix was prepared from deodorized cocoa powder, which was adjusted to 20% fat content using deodorized cocoa butter. The overall sensory evaluation of this aroma recombinate versus the cocoa powder clearly indicated that the 24 compounds represented the typical sweet, cocoa-like odor of the real sample.",Identification of the key aroma compounds in cocoa powder based on molecular sensory correlations.,"['Cacao', 'Chromatography, Gas', 'Deuterium', 'Food Preservation', 'Gas Chromatography-Mass Spectrometry', 'Humans', 'Indicator Dilution Techniques', 'Odorants', 'Seeds', 'Smell', 'Taste']","['chemistry', 'methods', None, None, None, None, None, 'analysis', 'chemistry', None, None]",1.0,cocoa,0.20634920634920634,"['cooked cabbage', '4-hydroxy-2,5-dimethyl-3(2H)-furanone', 'honey-like', '3-methylbutanal', 'dimethyl trisulfide', 'deodorized cocoa butter', '3-methylbutanoic acid', 'phenylacetaldehyde', 'deodorized cocoa', '2-ethyl-3,5-dimethylpyrazine', 'acetic acid']",1,13
28465162,"Caffeine and caffeic acid are two bioactive compounds that are present in plant foods and are major constituent of coffee, cocoa, tea, cola drinks and chocolate. Although not structurally related, caffeine and caffeic acid has been reported to elicit neuroprotective properties. However, their different proportional distribution in food sources and possible effect of such interactions are not often taken into consideration. Therefore, in this study, we investigated the effect of caffeine, caffeic acid and their various combinations on activities of some enzymes [acetylcholinesterase (AChE), monoamine oxidase (MAO) ecto-nucleoside triphosphate diphosphohydrolase (E-NTPase), ecto-5","Effect of caffeine, caffeic acid and their various combinations on enzymes of cholinergic, monoaminergic and purinergic systems critical to neurodegeneration in rat brain-In vitro.","['Acetylcholinesterase', 'Adenosine Triphosphatases', 'Animals', 'Brain', 'Caffeic Acids', 'Caffeine', 'Central Nervous System Stimulants', 'Copper', 'Dose-Response Relationship, Drug', 'Drug Combinations', 'Iron', 'Monoamine Oxidase', 'Rats', 'Rats, Wistar', 'Spectrophotometry']","['metabolism', 'metabolism', None, 'drug effects', 'pharmacology', 'pharmacology', 'pharmacokinetics', 'metabolism', None, None, 'metabolism', 'metabolism', None, None, None]",0.0,cocoa,0.2647058823529412,"['coffee, cocoa, tea', 'caffeic acid', 'Caffeine', 'triphosphate', 'MAO', 'caffeine']",1,9
7926169,"Beverages of different kinds have been investigated for their content of lead, cadmium, nickel, chromium, arsenic and mercury. About a ten times higher lead concentration was found in wine than in most other beverages. Cocoa was high in cadmium and nickel and some vegetable juices contained high levels of nickel. The daily intake of trace elements from beverages was estimated. Wine was still the most significant source of lead even if the bottles did not have lead capsules. By consumption of half a bottle per day the daily intake of lead would be doubled and it would contribute 12% of Provisional Tolerable Weekly Intake. Cocoa is an important source of cadmium and nickel, and consumption of tea as well as vegetable juices could increase the nickel intake significantly. The data are compared to Danish maximum limits on lead and cadmium.",Beverages as a source of toxic trace element intake.,"['Beverages', 'Cadmium', 'Food Contamination', 'Humans', 'Lead', 'Nickel', 'Spectrophotometry, Atomic', 'Trace Elements']","['analysis', 'administration & dosage', 'analysis', None, 'administration & dosage', 'administration & dosage', None, 'administration & dosage']",,cocoa,0.2765957446808511,"['mercury', 'arsenic', 'nickel', 'chromium', 'tea', 'cadmium']",1,13
25032782,"Oligomeric proanthocyanidins were successfully identified by UHPLC-PDA-HRMS(n) in a selection of plant-derived materials (jujube fruit, Fuji apple, fruit pericarps of litchi and mangosteen, dark chocolate, and grape seed and cranberry extracts). The identities of 247 proanthocyanidins were theoretically predicted by computing high-accuracy masses based on the degree of polymerization, flavan-3-ol components, and the number of A type linkages and galloyls. MS(n) fragments allowed characterization on flavan-3-ol based on the monomer, connectivity, and location of A-type bonds. Identification of doubly or triply charged ions of 50 PAs was made on the basis of theoretical calculations. A single catechin standard and molar relative response factors (MRRFs) were used to quantify the well-separated PAs. The ratios of the SIM peak counts were used to quantify each of the unseparated isomers. This is the first report of direct determination of each of the proanthocyanidins in plant-derived foods and proanthocyanidins containing an epifisetinidol unit in grape seeds. ",UHPLC-PDA-ESI/HRMSn profiling method to identify and quantify oligomeric proanthocyanidins in plant products.,"['Chromatography, High Pressure Liquid', 'Fruit', 'Plant Extracts', 'Plants', 'Proanthocyanidins', 'Seeds', 'Spectrometry, Mass, Electrospray Ionization']","['methods', 'chemistry', 'chemistry', 'chemistry', 'chemistry', 'chemistry', 'methods']",0.0,cocoa,0.17307692307692307,"['cranberry', 'grape seed', 'PAs', 'catechin', 'proanthocyanidins']",1,9
11486386,"An analytical method using GC/MS was developed for bisphenol A (BPA) in foods and BPA was determined in canned foods and fresh foods such as vegetables, fruit and meat. BPA was extracted with acetone from the samples and the extract was concentrated at under 40 degrees C in vacuo to afford an aqueous solution, which was washed with hexane after alkalization and extracted with 50% diethyl ether-hexane after acidification. Extracts were cleaned up on a PSA and/or a C18 cartridge column, and BPA was derivatized with heptafluorobutyric anhydride and determined by GC/MS (SIM). This method was applicable to the detection and determination of BPA residues in food samples at the level of 1 ng/g. Among canned foods, BPA was found in 6 corned beef, 1 chicken, 9 sweet corn and 3 bean samples at the levels of 17-602 ng/g, 212 ng/g, 2.3-75 ng/g and 3.5-26 ng/g, respectively. BPA was also detected in 1 retort soup and 1 retort pack product at the levels of 11 ng/g and 86 ng/g, respectively. As for dairy products, BPA was not detected in butter and milk. Among fresh foods, BPA was detected in 2 fish and 3 liver samples at the levels of trace (tr)-6.2 ng/g and tr-2.2 ng/g, respectively. In vegetables, fruits and chocolates, a trace level of BPA was detected in only 1 chocolate. Traces of BPA were also detected in 3 samples of 6 boxed lunches.",[Determination of bisphenol A in foods using GC/MS].,"['Animals', 'Benzhydryl Compounds', 'Fish Products', 'Food Analysis', 'Food Preservation', 'Fruit', 'Gas Chromatography-Mass Spectrometry', 'Meat', 'Meat Products', 'Phenols', 'Vegetables']","[None, None, 'analysis', 'methods', None, 'chemistry', None, 'analysis', 'analysis', 'analysis', 'chemistry']",,cocoa,0.0684931506849315,"['derivatized with heptafluorobutyric anhydride', 'hexane', 'acetone', 'diethyl', 'bisphenol A']",1,5
17357118,"Fermented cocoa beans (Theobroma cacao L., Sterculiaceae) from different countries of origin (Ecuador, Ghana, Trinidad) and cocoa beans roasted under defined conditions (industrial roasting; 150-220 degrees C for 20 min, dry roasting in conventional oven) were analyzed for their contents of certain chiral hydroxy acids, catechins, and amino acids. Cocoa beans are fermented, dried, and industrially transformed by roasting for the production of chocolate, cocoa powders, and other cocoa-related products. Fermentation and roasting conditions influence the contents of chiral compounds such as hydroxy acids, amino acids, and polyphenols, depending on technological procedures as well as some technical parameters. The aim of this work was to check if the content and nature of the named chiral compounds present both in fermented and roasted cocoa beans could be related to the traditional parameters used to classify the variety of seeds and the degree of fermentation. The extent of racemization of amino acids in fermented cocoa beans was low while it slowly increased during roasting, depending on the temperature applied. L-lactic acid was always higher than the D-form while citric acid was generally the most abundant hydroxy acid detected in beans. A correlation was found between polyphenol content and degree of fermentation, while epimerization of (-)-epicatechin to (+)-catechin was observed during roasting. On the whole, results showed that several chiral compounds could be considered as good quality markers for cocoa seeds and cocoa-related products of different quality and geographic origin.",GC-MS detection of chiral markers in cocoa beans of different quality and geographic origin.,"['Amino Acids', 'Cacao', 'Catechin', 'Fermentation', 'Flavonoids', 'Food Analysis', 'Food Handling', 'Food Technology', 'Gas Chromatography-Mass Spectrometry', 'Geography', 'Hydroxy Acids', 'Lactic Acid', 'Models, Chemical', 'Phenols', 'Polyphenols', 'Stereoisomerism']","['chemistry', 'metabolism', 'chemistry', None, None, None, None, 'methods', 'methods', None, 'chemistry', 'chemistry', None, None, None, None]",,cocoa,0.20224719101123595,"['hydroxy acid', 'polyphenols', 'cocoa beans roasted', 'L-lactic acid', 'chiral hydroxy acids', 'Fermented cocoa beans (Theobroma cacao L., Sterculiaceae', 'amino acids', 'Cocoa beans', 'citric acid', '(+)-catechin', 'fermented cocoa beans', 'polyphenol', 'industrial roasting', 'hydroxy acids', 'catechins', '(-)-epicatechin']",1,18
27664658,"Nickel is a metal that can be present in products containing hardened edible oils, possibly as leftover catalyst from the vegetable oil hardening process. Nickel may cause toxic effects including the promotion of cancer and contact allergy. In this work, nickel content was determined in hydrogenated vegetable fats and confectionery products, made with these fats, available on the Czech market using newly developed method combining microwave digestion and graphite furnace AAS. While concentrations of 0.086_±0.014mg.kg(-1) or less were found in hydrogenated vegetable fats, the Ni content in confectionery products was significantly higher, varying between 0.742_±0.066 and 3.141_±0.217mg.kg(-1). Based on an average consumer basket, daily intake of nickel from vegetable fats is at least twice as low as intake from confectionery products. Based on results, the levels of nickel in neither vegetable fats nor confectionery products, do not represent a significant health risk. ",Determination of nickel in hydrogenated fats and selected chocolate bars in Czech Republic.,"['Chocolate', 'Czech Republic', 'Fats', 'Food Contamination', 'Humans', 'Hydrogenation', 'Nickel', 'Plant Oils', 'Spectrophotometry, Atomic']","['analysis', None, 'analysis', 'analysis', None, None, 'analysis', 'analysis', 'methods']",0.0,cocoa,0.23255813953488372,"['AAS', 'Nickel', 'Ni', 'nickel', 'hydrogenated vegetable fats', '0.742_±0.066']",1,10
18278822,"A comparison of two methods for the identification and determination of peanut allergens based on europium (Eu)-tagged inductively coupled plasma mass spectrometry (ICP-MS) immunoassay and on liquid chromatography/electrospray ionization tandem mass spectrometry (LC/ESI-MS/MS) with a triple quadrupole mass analyzer was carried out on a complex food matrix like a chocolate rice crispy-based snack. The LC/MS/MS method was based on the determination of four different peptide biomarkers selective for the Ara h2 and Ara h3/4 peanut proteins. The performance of this method was compared with that of a non-competitive sandwich enzyme-linked immunosorbent assay (ELISA) method with ICP-MS detection of the metal used to tag the antibody for the quantitative peanut protein analysis in food. The limit of detection (LOD) and quantitation of the ICP-MS immunoassay were 2.2 and 5 microg peanuts g(-1) matrix, respectively, the recovery ranged from 86 +/- 18% to 110 +/- 4% and linearity was proved in the 5-50 microg g(-1) range. The LC/MS/MS method allowed us to obtain LODs of 1 and 5 microg protein g(-1) matrix for Ara h3/4 and Ara h2, respectively, thus obtaining significantly higher values with respect to the ELISA ICP-MS method, taking into account the different expression for concentrations. Linearity was established in the 10-200 microg g(-1) range of peanut proteins in the food matrix investigated and good precision (RSD <10%) was demonstrated. Both the two approaches, used for screening or confirmative purposes, showed the power of mass spectrometry when used as a very selective detector in difficult matrices even if some limitations still exist, i.e. matrix suppression in the LC/ESI-MS/MS procedure and the change of the Ag/Ab binding with matrix in the ICP-MS method.",Determination of peanut allergens in cereal-chocolate-based snacks: metal-tag inductively coupled plasma mass spectrometry immunoassay versus liquid chromatography/electrospray ionization tandem mass spectrometry.,"['Allergens', 'Arachis', 'Cacao', 'Chromatography, High Pressure Liquid', 'Edible Grain', 'Food Analysis', 'Hot Temperature', 'Immunoassay', 'Metals', 'Reproducibility of Results', 'Sensitivity and Specificity', 'Spectrometry, Mass, Electrospray Ionization', 'Staining and Labeling']","['analysis', 'chemistry', 'chemistry', 'methods', 'chemistry', 'methods', None, 'methods', None, None, None, 'methods', 'methods']",,cocoa,0.0136986301369863,['europium'],1,1
25912451,"Development of authenticity screening for Asian palm civet coffee, the world-renowned priciest coffee, was previously reported using metabolite profiling through gas chromatography/mass spectrometry (GC/MS). However, a major drawback of this approach is the high cost of the instrument and maintenance. Therefore, an alternative method is needed for quality and authenticity evaluation of civet coffee. A rapid, reliable and cost-effective analysis employing a universal detector, GC coupled with flame ionization detector (FID), and metabolite fingerprinting has been established for discrimination analysis of 37 commercial and non-commercial coffee beans extracts. gas chromatography/flame ionization detector (GC/FID) provided higher sensitivity over a similar range of detected compounds than GC/MS. In combination with multivariate analysis, GC/FID could successfully reproduce quality prediction from GC/MS for differentiation of commercial civet coffee, regular coffee and coffee blend with 50__wt % civet coffee content without prior metabolite details. Our study demonstrated that GC/FID-based metabolite fingerprinting can be effectively actualized as an alternative method for coffee authenticity screening in industries. ",Application of gas chromatography/flame ionization detector-based metabolite fingerprinting for authentication of Asian palm civet coffee (Kopi Luwak).,"['Animals', 'Coffee', 'Discriminant Analysis', 'Flame Ionization', 'Food Industry', 'Gas Chromatography-Mass Spectrometry', 'Metabolome', 'Multivariate Analysis', 'Reference Standards', 'Viverridae']","[None, 'chemistry', None, 'methods', 'methods', 'economics', None, None, None, None]",0.0,cocoa,0.0,[],1,0
17909484,"Cocoa contains high levels of different flavonoids. In the present study, the enantioseparation of catechin and epicatechin in cocoa and cocoa products by chiral capillary electrophoresis (CCE) was performed. A baseline separation of the catechin and epicatechin enantiomers was achieved by using 0.1 mol x L(-1) borate buffer (pH 8.5) with 12 mmol x L(-1) (2-hydroxypropyl)-gamma-cyclodextrin as chiral selector, a fused-silica capillary with 50 cm effective length (75 microm I.D.), +18 kV applied voltage, a temperature of 20 degrees C and direct UV detection at 280 nm. To avoid comigration or coelution of other similar substances, the flavan-3-ols were isolated and purified using polyamide-solid-phase-extraction and LC-MS analysis. As expected, we found (-)-epicatechin and (+)-catechin in unfermented, dried, unroasted cocoa beans. In contrast, roasted cocoa beans and cocoa products additionally contained the atypical flavan-3-ol (-)-catechin. This is generally formed during the manufacturing process by an epimerization which converts (-)-epicatechin to its epimer (-)-catechin. High temperatures during the cocoa bean roasting process and particularly the alkalization of the cocoa powder are the main factors inducing the epimerization reaction. In addition to the analysis of cocoa and cocoa products, peak ratios were calculated for a better differentiation of the cocoa products.",(-)-Catechin in cocoa and chocolate: occurrence and analysis of an atypical flavan-3-ol enantiomer.,"['Alkalies', 'Cacao', 'Catechin', 'Chromatography, Liquid', 'Electrophoresis, Capillary', 'Flavonoids', 'Mass Spectrometry', 'Stereoisomerism', 'Temperature']","[None, 'chemistry', 'analysis', None, None, 'analysis', None, None, None]",0.0,cocoa,0.22580645161290322,"['epicatechin', 'epicatechin enantiomers', 'roasted cocoa beans and cocoa products additionally contained the atypical flavan-3-ol', 'flavonoids', 'cocoa bean roasting', 'unroasted cocoa beans', '(+)-catechin', 'cocoa and cocoa products', '(-)-epicatechin', 'chiral selector', 'catechin', 'borate']",1,14
2808244,"Methyl bromide (MB, bromomethane) is determined in a variety of foods by headspace capillary gas chromatography with electron capture detection. The comminuted food sample as an aqueous sodium sulfate slurry is equilibrated with stirring for 1 h at room temperature before a 1 mL headspace aliquot is removed and injected using a modified on-column syringe needle. Methyl bromide is cryogenically focussed at -60 degrees C and then eluted by temperature programming. The procedure requires blending of soft samples, e.g. raisins, prunes, or oranges, and ultrasonic homogenization of hard samples, e.g. wheat, cocoa beans, corn, or nuts, with portions of water and ice so the final temperature of the food-water slurry is less than 1 degree C. A 20 g aliquot (4 g food) is then added to a cold headspace vial containing 4 g sodium sulfate. Losses of MB during a 3.5 min ultrasonic homogenization of wheat were 11% at 0.95 ppb and 4.4% at 4.8 ppb. For flour, cocoa, and finely divided spices, which do not require blending, 4 g is added to the cold headspace vial containing 16 mL cold water and 4 g sodium sulfate. Studies show that comminution of wheat or peanuts must be carried out to release MB trapped within the food so the headspace equilibrium can be attained in 1 h as well as to obtain homogeneous samples and representative sampling. No interferences were noted with the above foods or with many grain-based baking mixes analyzed.(ABSTRACT TRUNCATED AT 250 WORDS)",Determination of methyl bromide in foods by headspace capillary gas chromatography with electron capture detection.,"['Cheese', 'Chromatography, Gas', 'Dietary Fats', 'Edible Grain', 'Electrochemistry', 'Flour', 'Food Analysis', 'Fruit', 'Gas Chromatography-Mass Spectrometry', 'Hydrocarbons, Brominated', 'Indicators and Reagents', 'Particle Size', 'Soil']","['analysis', None, 'analysis', 'analysis', None, 'analysis', None, 'analysis', None, None, None, None, 'analysis']",,cocoa,0.08450704225352113,"['Methyl bromide', 'headspace', 'sodium sulfate', 'aqueous sodium sulfate']",1,6
8471852,"A liquid chromatographic method was evaluated for the determination of the intense sweetener acesulfam-K in tabletop sweetener, candy, soft drink, fruit juice, fruit nectar, yogurt, cream, custard, chocolate, and biscuit commercial preparations. Samples are extracted or simply diluted with water and filtered. Complex matrixes need a clarification step with Carrez solutions. An aliquot of the extract is analyzed on a reversed-phase mu Bondapak C18 column using 0.0125M KH2PO4 (pH 3.5)-acetonitrile (90 + 10) as mobile phase. Detection is performed by UV absorbance at 220 nm. Recoveries ranged from 95.2 to 106.8%. With one exception, all analyzed values were within +/- 15% of the declared levels. The repeatabilities and the repeatability coefficients of variation were, respectively, 0.37 mg/100 g and 0.98% for products containing less than 40 mg/100 g acesulfam-K and 2.43 mg/100 g and 1.29% for other products. The same procedure also allowed detection of many food additives or natural constituents, such as other intense sweeteners, organic acids, and alkaloids, in a single run without interfering with acesulfam-K. The method is simple, rapid, precise, and sensitive; therefore, it is suitable for routine analyses.",Determination of acesulfam-K in foods.,"['Beverages', 'Candy', 'Chromatography, Thin Layer', 'Food Additives', 'Food Analysis', 'Hydrogen-Ion Concentration', 'Sensitivity and Specificity', 'Sweetening Agents', 'Thiazines']","['analysis', 'analysis', None, 'analysis', 'methods', None, None, 'analysis', 'analysis']",,cocoa,0.03225806451612903,"['KH2PO4', 'acids']",1,2
21427887,"Atole is a Mexican pre-hispanic drink prepared traditionally with corn; however, cereals as wheat, rice and amaranth have also been used. The aim of this study was to determine the physicochemical and sensory properties of an amaranth flour to prepare a drink (atole) mentioned above, in order to determine its nutritive value. Proximate analysis of the amaranth, corn and rice drink flours was determined by means of official techniques of AOAC. Mineral content was carried out by atomic absorption spectrometry. Viscosity was measured in a reometer from 25 to 90 degrees C. The quantitative descriptive profile (QDA) of the amaranth drink was studied by a trained panel of 10 judges. Results showed that the amaranth drink flour presented the highest protein and fat content compared to corn and rice drink flours. Sodium and potassium were the most abundant minerals in all flours studied. Corn and rice drink flours showed a constant viscosity from 20 to 84 degrees C, to 85 degrees C an important increase in this parameter was observed. This increase was detected in the amaranth drink flour to 75 degrees C. Descriptors defined by trained judges for the QDA of the amaranth drink flours were: starch, almond/cherry, caramel, vanilla, strawberry, walnut and chocolate. The amaranth drink flour, compared to corn and rice drink flours, presented the best nutritional profile; it is important to emphasize its protein content.","[Physicochemical and sensory properties of flours ready to prepare an amaranth ""atole""].","['Amaranthus', 'Beverages', 'Flour', 'Nutritive Value', 'Spectrophotometry, Atomic', 'Taste', 'Viscosity']","['chemistry', 'analysis', 'analysis', None, None, None, None]",,cocoa,0.05405405405405406,"['atole', 'potassium', 'Sodium', 'Atole']",1,4
8112343,"Salivary proline-rich proteins have a repetitive primary structure particularly rich in the amino acids proline, glutamine and glycine. One of the biological roles of these proteins is to bind and precipitate polyphenols (vegetable tannins) present in the diet (e.g. tea, coffee, fruit, chocolate) neutralising their harmful actions which include nutritional loss, inhibition of gut enzymes and oesophageal cancer. Two peptides overlapping in sequence, corresponding to the mouse salivary proline-rich protein MP5 repeat sequence: QGPPPQGGPQQRPPQPGNQ and GPQQRPPQPGNQQGPPPQGGPQ have been synthesised and studied in H2O/(2H6)dimethyl sulphoxide (9:1, by vol.) using 1H-NMR spectroscopy. Low-temperature far-ultraviolet CD spectroscopy and NMR conformational parameters indicate that the peptides adopt an extended random coil conformation in solution. There is no evidence for a defined polyproline type II helix in the peptides, despite the high proline content. NMR data show that the trans-proline isomer predominates to at least 90%.",Conformational study of a salivary proline-rich protein repeat sequence.,"['Amino Acid Sequence', 'Animals', 'Chromatography, High Pressure Liquid', 'Circular Dichroism', 'Glutamine', 'Glycine', 'Magnetic Resonance Spectroscopy', 'Mice', 'Molecular Sequence Data', 'Peptide Fragments', 'Peptides', 'Proline-Rich Protein Domains', 'Protein Conformation', 'Salivary Proteins and Peptides']","[None, None, None, None, 'chemistry', 'chemistry', None, None, None, 'chemistry', 'chemistry', None, None, 'chemistry']",0.0,cocoa,0.20833333333333334,"['polyphenols', 'trans-proline', 'glutamine', 'amino acids proline', 'vegetable tannins', 'glycine', '9:1', 'coffee, fruit, chocolate', 'proline', 'sulphoxide']",1,10
27105753,"An ease-of-use protocol for the identification of resistance against third-generation cephalosporins in Enterobacteriaceae isolated from blood culture bottles was evaluated using matrix-assisted laser desorption ionization-time-of-flight mass spectrometry. A cefotaxime hydrolysis assay from chocolate agar subcultures using antibiotic discs and without inoculum standardization was developed for routine work flow, with minimal hands-on time. This assay showed good performance in distinguishing between cefotaxime-susceptible and cefotaxime-resistant strains, with excellent results for Escherichia coli (sensitivity 94.7%, specificity 100%). However, cefotaxime resistance was not detected reliably in Enterobacteriaceae expressing AmpC genes or carbapenemase-producing Klebsiella pneumoniae. ",Ease-of-use protocol for the rapid detection of third-generation cephalosporin resistance in Enterobacteriaceae isolated from blood cultures using matrix-assisted laser desorption ionization-time-of-flight mass spectrometry.,"['Anti-Bacterial Agents', 'Blood Culture', 'Cefotaxime', 'Cephalosporin Resistance', 'Enterobacteriaceae', 'Hydrolysis', 'Microbial Sensitivity Tests', 'Sensitivity and Specificity', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization', 'Time Factors']","['metabolism', None, 'metabolism', None, 'drug effects', None, 'methods', None, 'methods', None]",0.0,cocoa,0.2,"['cefotaxime', 'Enterobacteriaceae', 'cephalosporins', 'Klebsiella']",1,6
11210120,"The antioxidant polyphenols in cacao liquor, a major ingredient of chocolate and cocoa, have been characterized as flavan-3-ols and proanthocyanidin oligomers. In this study, various cacao products were analyzed by normal-phase HPLC, and the profiles and quantities of the polyphenols present, grouped by molecular size (monomers to approximately oligomers), were compared. Individual cacao polyphenols, flavan-3-ols (catechin and epicatechin), and dimeric (procyanidin B2), trimeric (procyanidin C1), and tetrameric (cinnamtannin A2) proanthocyanidins, and galactopyranosyl-ent-(-)-epicatechin (2alpha-->7, 4alpha-->8)-(-)-epicatechin (Gal-EC-EC), were analyzed by reversed-phase HPLC and/or HPLC/MS. The profile of monomers (catechins) and proanthocyanidin in dark chocolate was similar to that of cacao liquor, while the ratio of flavan-3-ols to the total amount of monomeric and oligomeric polyphenols in the case of pure cocoa powder was higher than that in the case of cacao liquor or chocolate.","Analyses of polyphenols in cacao liquor, cocoa, and chocolate by normal-phase and reversed-phase HPLC.","['Anthocyanins', 'Biflavonoids', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Chromatography, Liquid', 'Flavonoids', 'Food Handling', 'Galactose', 'Mass Spectrometry', 'Phenols', 'Polymers', 'Proanthocyanidins', 'Reproducibility of Results']","['analysis', None, 'chemistry', 'analogs & derivatives', 'methods', None, None, 'methods', 'analogs & derivatives', 'methods', 'analysis', 'analysis', None, None]",2.0,cocoa,0.40425531914893614,"['epicatechin', 'polyphenols', 'procyanidin C1', 'proanthocyanidin oligomers', 'cocoa', 'procyanidin B2', 'cacao polyphenols', 'proanthocyanidin', 'flavan-3-ols', 'cinnamtannin A2) proanthocyanidins', 'cacao liquor', 'catechins', 'catechin']",1,19
20480905,"Staphylococcal enterotoxin B (SEB) is an extracellular pyrotoxin produced by Staphylococcus aureus, a known etiologic agent of food poisoning in humans. Lateral flow immunochromatographic devices (LFDs) designed for the environmental detection of SEB were adapted for use in this study to detect SEB in milk containing 2% fat, chocolate-flavored milk, and milk-derived products such as yogurt, infant formula, and ice cream. The advantage of using LFDs in these particular food products was its ease and speed of use with no additional extraction methods needed. No false positives were observed with any of the products used in this study. Dilution of the samples overcame the Hook effect and permitted capillary flow into the membrane. Thus, semisolid products such as ice cream and some yogurts, and products containing thickeners needed to be diluted using a phosphate-buffered saline-based buffer, pH 7.2. SEB was easily detected at concentrations of 5 microg/mL and 500 ng/mL when the LFDs were used. SEB was also reliably detected at concentrations below 5 and 0.25 ng/mL, which may induce serious disease.",Detection of staphylococcal enterotoxin B in milk and milk products using immunodiagnostic lateral flow devices.,"['Animals', 'Cattle', 'Chromatography', 'Enterotoxins', 'Equipment Design', 'False Positive Reactions', 'Food Analysis', 'Food Contamination', 'Food Microbiology', 'Hydrogen-Ion Concentration', 'Ice Cream', 'Immunologic Techniques', 'Milk', 'Reproducibility of Results', 'Time Factors', 'Yogurt']","[None, None, 'methods', 'analysis', None, None, 'instrumentation', None, None, None, None, None, 'metabolism', None, None, None]",,cocoa,0.0,[],1,0
22133078,"Chocolate is a key ingredient in many foods such as milk shakes, candies, bars, cookies, and cereals. Chocolate candies are often consumed by mankind of all age groups. The presence of polycyclic aromatic hydrocarbons (PAHs) in chocolate candies may result in health risk to people. A rapid, precise, and economic extraction method was optimized and validated for the simultaneous determination of polycyclic aromatic hydrocarbons in chocolate candy by high-performance liquid chromatography (HPLC) and gas chromatography-mass spectrometry (GS-MS) as a confirmatory technique. The method was optimized by using different solvents for liquid-liquid extraction, varying volume of de-emulsifying agent, and quantity of silica gel used for purification. The HPLC separation of 16 PAHs was carried out by C-18 column with mobile phase composed of acetonitrile : water (70 : 30) in isocratic mode with runtime of 20 min. Limit of detection, limit of quantification (LOQ), and correlation coefficients were found in the range of 0.3 to 4 ng g____, 0.9 to 12 ng g____, and 0.9109 to 0.9952, respectively. The exploration of 25 local chocolate candy samples for the presence of PAHs showed the mean content of benzo[a]pyrene as 1.62 ng g____, which representing the need to evaluate effective measures to prevent more severe PAHs contamination in chocolate candies in future.",Optimization and validation of an extraction method for the analysis of polycyclic aromatic hydrocarbons in chocolate candies.,"['Cacao', 'Calibration', 'Candy', 'Chromatography, High Pressure Liquid', 'Chromatography, Reverse-Phase', 'Environmental Pollutants', 'Food Contamination', 'Gas Chromatography-Mass Spectrometry', 'India', 'Limit of Detection', 'Liquid-Liquid Extraction', 'Molecular Weight', 'Polycyclic Aromatic Hydrocarbons']","['adverse effects', None, 'adverse effects', None, None, 'analysis', None, None, None, None, None, None, 'analysis']",0.0,cocoa,0.15151515151515152,"['PAHs', 'polycyclic aromatic hydrocarbons', 'g_\x81___', 'benzo[a]pyrene']",1,10
25230186,"Triacylglycerols are responsible for chocolate's peculiar melting behavior: the type and position of fatty acids on the glycerol molecule strongly affect the melting range of cocoa butter. For this reason, the characterization of triglyceride composition in cocoa products is particularly important. In this work, triacylglycerols extracted from cocoa liquor samples were analyzed by matrix-assisted laser desorption/ionization time-of-flight (TOF) and electrospray ionization tandem mass spectrometry (MS/MS) coupled to liquid chromatography. Extracted samples were initially analyzed by direct injection in MS to obtain information on triglyceride molecular weights; relevant MS parameters were optimized, and the possible formation of the adducts [M___+___Na](+) and [M___+___NH(4)](+) was studied. Tandem mass experiments (both with triple quadrupole and TOF/TOF) were performed to study the fragmentation pathways (in particular, the loss of palmitic, stearic and oleic acid) and identify the triacylglycerols in cocoa liquors. Some signals of the spectra obtained with both MS techniques could indicate the presence of diacylglycerols in the cocoa extract, but different experimental evidences demonstrated that they were generated by the in-source fragmentation of triglycerides. A nonaqueous reversed-phase chromatographic separation was also developed and used to support the identification of the analytes; nine triacylglycerols were recognized in the cocoa liquor extracts. The three different batches of Ecuador cocoa liquor did not show significant differences in the triacylglycerol profile.",Triacylglycerol profile in cocoa liquors using MALDI-TOF and LC-ESI tandem mass spectrometry.,[],[],,cocoa,0.24285714285714285,"['cocoa butter', 'oleic acid', 'glycerol', 'triacylglycerol', 'Ecuador cocoa liquor', 'fatty acids', 'triglycerides', 'triglyceride', 'triacylglycerols', 'palmitic', 'stearic', 'diacylglycerols', 'cocoa extract', 'Triacylglycerols']",1,17
22641023,"Cocoa procyanidins (CPs)-gelatin-chitosan nanoparticles were fabricated based on the procyanidin-protein and electrostatic interactions, with an objective to enhance the stability and bioactivity of CPs. The CPs were purified using chromatographic methods and analyzed using HPLC equipped with a fluorescence detector (FLD) and mass spectrometer (MS). The purified CPs had a purity of 53.1% (w/w) and contained procyanidin oligomers (from monomer to decamers) and polymers, with polymers being the predominant component (26.4%, w/w). Different CPs-gelatin-chitosan mass ratios were tested to investigate the effects of formulation on the nanoparticle fabrication. Using CPs-gelatin-chitosan mass ratio of 0.75:1:0.5, the resultant nanoparticles had a particle size of 344.7 nm, zeta-potential of +29.8 mV, particle yield of 51.4%, loading efficiency of 50.1%, and loading capacity of 20.5%. The CPs-gelatin-chitosan nanoparticles were spherical as observed by scanning electron microscopy (SEM). Fourier transform infrared spectroscopy (FTIR) suggested that the primary interaction between the CPs and gelatin was hydrogen bond and hydrophobic interaction, while electrostatic interaction was the main binding force between chitosan and CPs-gelatin nanoparticles. Nanoencapsulation of the CPs significantly improved the stability of the CPs at 60_C. The CPs-gelatin-chitosan nanoparticles showed the same apoptotic effects at lower concentrations in human acute monocytic leukemia THP-1 cells compared with the CPs in solution.","Preparation, characterization, and induction of cell apoptosis of cocoa procyanidins-gelatin-chitosan nanoparticles.","['Apoptosis', 'Cacao', 'Cell Line, Tumor', 'Chitosan', 'Chromatography, High Pressure Liquid', 'Drug Carriers', 'Drug Stability', 'Gelatin', 'Humans', 'Hydrogen Bonding', 'Hydrophobic and Hydrophilic Interactions', 'Leukemia, Monocytic, Acute', 'Mass Spectrometry', 'Microscopy, Electron, Scanning', 'Nanoparticles', 'Particle Size', 'Polymers', 'Proanthocyanidins', 'Spectroscopy, Fourier Transform Infrared', 'Static Electricity', 'Temperature']","['drug effects', 'chemistry', None, 'chemistry', None, 'chemistry', None, 'chemistry', None, None, None, 'metabolism', None, None, None, None, 'chemistry', 'administration & dosage', None, None, None]",0.0,cocoa,0.136986301369863,"['hydrogen', 'nanoparticles', 'Cocoa procyanidins', 'chitosan', 'FLD', 'procyanidin']",1,10
15712517,"A method for the determination of six kava lactones, methysticin, dihydromethysticin, kawain, dihydrokawain, yangonin and desmethoxyyangonin, in solid foods and beverages has been developed. Solid samples were prepared using methanol extraction, while beverages were extracted using a separate solid phase extraction (SPE) method. After sample preparation, the extracts were analysed using LC-UV or atmospheric pressure photoionization (APPI) LC-MS in the positive mode. Using the method, 10 beverage products, two chocolate products, three unbrewed tea products, three dietary supplements and a drink mix product were analysed. The results obtained using the LC-UV were comparable to those obtained using APPI-LC-MS for most products. Using the SPE method in conjunction with LC-MS, individual kava lactones were detected in drink products at ppb concentrations. Concentrations of total kava lactones ranged between 135-0.035 mg per serving in the food and beverage products tested and between 40-61 mg per serving for the dietary supplement products tested. Results of these analyses as well as extraction efficiency and reproducibility data are reported.",LC-UV and LC-MS analysis of food and drink products containing kava.,"['Beverages', 'Chromatography, Liquid', 'Dietary Supplements', 'Food Analysis', 'Gas Chromatography-Mass Spectrometry', 'Humans', 'Kava', 'Lactones', 'Plant Extracts', 'Plant Roots', 'Solvents', 'Spectrophotometry, Ultraviolet']","['analysis', 'methods', 'analysis', 'methods', 'methods', None, 'chemistry', 'analysis', 'analysis', 'chemistry', None, 'methods']",,cocoa,0.16071428571428573,"['desmethoxyyangonin', 'methysticin', 'SPE', 'dihydromethysticin', 'methanol', 'kava lactones', 'kava']",1,9
9547407,"The objective of this study was to determine the urinary excretion of methylxanthines in horses following ingestion of chocolate over eight days. The study was performed in response to gas chromatography-mass spectrometry (GC-MS) confirmation of the presence of caffeine in a positive urine test in a racehorse. The trainer of the horse alleged that he often administered chocolate-coated peanuts as treats to his horses, and he believed that the ingestion of chocolate was responsible for the positive urine test. The urinary excretion of theobromine and caffeine after the ingestion of chocolate-coated peanuts was investigated in three horses. Enzyme-linked immunoassay (ELISA), high-performance liquid chromatography (HPLC), and GC-MS assays were performed on all urine specimens. Theobromine (HPLC) was detected for 72 h and caffeine (GC-MS) for 48 h after chronic ingestion of chocolate-coated peanuts. Methylxanthines were detected by ELISA for 120 h after administration of chocolate.",Detection and determination of theobromine and caffeine in urine after administration of chocolate-coated peanuts to horses.,"['Animal Feed', 'Animals', 'Arachis', 'Cacao', 'Caffeine', 'Chromatography, High Pressure Liquid', 'Doping in Sports', 'Enzyme-Linked Immunosorbent Assay', 'Female', 'Gas Chromatography-Mass Spectrometry', 'Horses', 'Theobromine']","[None, None, None, 'metabolism', 'urine', 'methods', 'methods', 'methods', None, 'methods', 'urine', 'urine']",,cocoa,0.1509433962264151,"['GC-MS', 'Theobromine', 'theobromine', 'Methylxanthines', 'caffeine', 'methylxanthines']",1,8
24088516,"Triacylglycerol (TAG) molecular species were quantified through high-performance liquid chromatography (HPLC) equipped with a nano quantity analyte detector (NQAD). TAG standard compounds, i.e., 1,3-dipalmitoyl-2-oleoylglycerol (__-POP), 1-palmitoyl-2-oleoyl-3-stearoyl-rac-glycerol (__-POS), and 1,3-distearoyl-2-oleoylglycerol (__-SOS), and natural cocoa butter were used for analyses. NQAD gave the first order equation passing through the origin for all TAG standard compounds. TAG molecular species in cocoa butter were quantified using the calibration curves and the obtained values were almost the same as the reported ones of conventional cocoa butter. Furthermore, a recovery test was also carried out and the values were almost 100. Therefore, HPLC-NQAD can be successfully used for the quantification of TAG molecular species in natural fats and oils. ",Quantification of triacylglycerol molecular species in cocoa butter using high-performance liquid chromatography equipped with nano quantity analyte detector.,"['Calibration', 'Chromatography, High Pressure Liquid', 'Dietary Fats', 'Food Analysis', 'Nanoparticles', 'Nanotechnology', 'Triglycerides']","[None, 'instrumentation', 'analysis', 'instrumentation', None, 'instrumentation', 'analysis']",2.0,cocoa,0.35,"['1,3-dipalmitoyl-2-oleoylglycerol', '1-palmitoyl-2-oleoyl-3-stearoyl-rac-glycerol', 'cocoa butter', '__-POS)', 'Triacylglycerol', '__-SOS)', '1,3-distearoyl-2-oleoylglycerol', 'TAG', '__-POP)']",1,14
20953776,"Piceid (3,4',5-trihydroxystilbene-3-__-D: -glucoside) is a stilbene which occurs naturally in various families of plants and has been shown to protect lipoproteins from oxidative damage and to have cancer chemopreventive activity. This paper deals with the determination of piceid in cocoa-containing products by using photo-induced fluorescence and the aid of a multicommutated continuous-flow assembly which was provided with an on-line photoreactor. A strongly fluorescent photoproduct is generated from piceid when it is irradiated under UV light for 30__s, which is retained on Sephadex QAE A-25 and directly monitored on this active solid support at 257/382__nm (__ (exc)/__ (em), respectively). The pre-concentration of the photoproduct of piceid on the solid support greatly improves both sensitivity and selectivity. The influence of different experimental parameters, both chemical (pH, ionic strength) and hydrodynamic (irradiation time, flow rate, photoreactor length, sampling time), was tested. The sample pre-treatment included delipidation with toluene and cyclohexane, stilbene extraction with ethanol/water (80:20, v/v) and clean-up by solid-phase extraction on C(18) cartridges and methanol/water (40:20, v/v) as eluting solution. This procedure allowed the elimination of the aglycon of piceid, resveratrol and other potential interfering species and a recovery of about a 90% piceid. The method was applied to the analysis of piceid in cocoa powder, dark chocolate and milk chocolate. The quantification limits were 1.4, 1.1 and 0.09__mg__kg(-1), respectively. Relative standard deviations ranged from 1.8% to 3.1%. This is the first reported non-chromatographic method for determination of piceid in these foods.",Automatic optosensing device based on photo-induced fluorescence for determination of piceid in cocoa-containing products.,"['Cacao', 'Equipment Design', 'Flow Injection Analysis', 'Glucosides', 'Limit of Detection', 'Photochemical Processes', 'Plants, Medicinal', 'Radiation', 'Spectrometry, Fluorescence', 'Stilbenes', 'Ultraviolet Rays']","['chemistry', None, 'instrumentation', 'analysis', None, None, 'chemistry', None, 'instrumentation', 'analysis', None]",1.0,cocoa,0.1951219512195122,"['80:20, v/v', 'resveratrol', 'C(18', 'piceid', 'stilbene', 'ethanol/water', 'lipoproteins', 'toluene', 'cyclohexane']",1,16
25240144,"The studied area is located in Western Anatolia and situated on the NE-SW directed U_ak-G_re cross-graben that developed under a crustal extensional regime during the Late Miocene-Pliocene. Silica occurrences have been mostly found as mushroom-shaped big caps. They also show sedimentary structures such as stratification. Silica occurrences are milky white, yellowish white, yellow to chocolate brown and rarely pale blue, bluish gray in color and have no crystal forms in hand specimen. Some of the silica samples show conchoidal fracture. Silica minerals are mostly chalcedony, low-quartz (_±-quartz) and sporadically opal-CT in spectras, according to confocal Raman spectrometry. The silica samples have enrichment of Fe (1000-24,600 ppm), Ca (100-10,200 ppm), P (4-3950 ppm) and Mn (8-3020 ppm). Other striking elements in fewer amounts are Ba (0.9-609.6 ppm), Ni (15.7-182.3 ppm) and Co (18.6-343.1 ppm). In chondrite-normalized spider diagram, silica samples display partial enrichment in LIL elements (Rb, Ba, Th). The __(18)O (__ V-SMOW) values for silica samples vary from 18.4__ to 22.8__ and are similar to low temperature hydrothermal silica. Confocal Raman spectrometry and oxygen isotope indicate that the silica minerals may precipitate from host fluid which is relatively has low temperatures hydrothermal solutions derived from the residual melt of basaltic magma.",The origin and determination of silica types in the silica occurrences from Altinta_ region (U_ak-Western Anatolia) using multianalytical techniques.,"['Barium', 'Calcium', 'Geologic Sediments', 'Geology', 'Iron', 'Minerals', 'Oxygen Isotopes', 'Phosphorus', 'Quartz', 'Silicon Dioxide', 'Spectrometry, X-Ray Emission', 'Spectrum Analysis, Raman', 'Turkey', 'X-Ray Diffraction']","['analysis', 'analysis', 'chemistry', 'methods', 'analysis', 'analysis', None, 'analysis', None, 'analysis', None, None, None, None]",0.0,cocoa,0.125,"['chondrite-normalized', 'Fe', 'Ni', 'spectras', '__(18)O', 'oxygen', 'Ca', '__\x8d V-SMOW']",1,8
3930303,"A preliminary survey in 1982 of aflatoxin levels in peanut butters indicated that 31 out of 32 samples of major national brand-named products examined contained less than 10 micrograms/kg aflatoxin B1 and that 59% of these were below the limit of detection (2 micrograms/kg). In contrast, of 25 peanut butters from specialist 'Health Food' outlets, 64% contained less than 10 micrograms/kg aflatoxin B1, the remainder ranging from 16 to 318 micrograms/kg, with one sample having a total aflatoxin concentration of 345 micrograms/kg. Subsequent surveys in 1983 and 1984 of 'Health Food' products confirmed that these manufacturers were still experiencing some difficulty in complying with the 30 micrograms/kg total aflatoxin voluntary guideline limit. A further survey in 1984 was carried out of 228 retail samples of nuts and nut confectionery products comprising peanuts (shelled, unshelled, roasted and salted), mixed nuts, almonds (both unblanched and ground), brazils (in shell), hazelnuts (in shell), chocolate-coated peanuts, peanut brittle and coconut ice. The results showed that 74% of the samples contained less than 0.5 microgram/kg of aflatoxin B1 with 3.1% exceeding the guideline tolerance of 30 micrograms/kg total aflatoxins, these being predominantly peanuts and brazils. The highest total levels of aflatoxins observed were in unshelled peanuts containing 4920 micrograms/kg and in a composite sample of visibly moulded brazils containing 17 926 micrograms/kg.","A survey of aflatoxins in peanut butters, nuts and nut confectionery products by HPLC with fluorescence detection.","['Aflatoxin B1', 'Aflatoxins', 'Arachis', 'Chromatography, High Pressure Liquid', 'Food Handling', 'Food Microbiology', 'Nuts', 'Spectrometry, Fluorescence', 'United Kingdom']","[None, 'analysis', 'analysis', None, None, None, 'analysis', None, None]",,cocoa,0.1875,"['nuts and nut confectionery', 'aflatoxin', 'aflatoxins']",1,9
19251438,"Triacylglycerols were analyzed as cationized species (Li(+), Na(+), K(+)) by high-energy CID at 20 keV collisions utilizing MALDI-TOF/RTOF mass spectrometry. Precursor ions, based on [M + Li](+)-adduct ions exhibited incomplete fragmentation in the high and low m/z region whereas [M + K](+)-adducts did not show useful fragmentation. Only sodiated precursor ions yielded product ion spectra with structurally diagnostic product ions across the whole m/z range. The high m/z region of the CID spectra is dominated by abundant charge-remote fragmentation of the fatty acid substituents. In favorable cases also positions of double bonds or of hydroxy groups of the fatty acid alkyl chains could be determined. A-type product ions represent the end products of these charge-remote fragmentations. B- and C-type product ions yield the fatty acid composition of individual triacylglycerol species based on loss of either one neutral fatty acid or one sodium carboxylate residue, respectively. Product ions allowing fatty acid substituent positional determination were present in the low m/z range enabling identification of either the sn-1/sn-3 substituents (E-, F-, and G-type ions) or the sn-2 substituent (J-type ion). These findings were demonstrated with synthetic triacylglycerols and plant oils such as cocoa butter, olive oil, and castor bean oil. Typical features of 20 keV CID spectra of sodiated triacylglycerols obtained by MALDI-TOF/RTOF MS were an even distribution of product ions over the entire m/z range and a mass accuracy of +/-0.1 to 0.2 u. One limitation of the application of this technique is mainly the insufficient precursor ion gating after MS1 (gating window at 4 u) of species separated by 2 u.",The renaissance of high-energy CID for structural elucidation of complex lipids: MALDI-TOF/RTOF-MS of alkali cationized triacylglycerols.,[],[],2.0,cocoa,0.15294117647058825,"['Triacylglycerols', 'F-', 'triacylglycerol', 'fatty acid alkyl', 'triacylglycerols', 'cocoa butter, olive oil', 'sodiated triacylglycerols', 'sodium carboxylate residue', 'fatty acid', 'Na(+']",1,13
19843177,"A platform based on hydrophilic interaction chromatography in combination with Fourier transform mass spectrometry was developed in order to carry out metabonomics of Drosophila melanogaster strains. The method was able to detect approximately 230 metabolites, mainly in the positive ion mode, after checking to eliminate false positives caused by isotope peaks, adducts and fragment ions. Two wild-type strains, Canton S and Oregon R, were studied, plus two mutant strains, Maroon Like and Chocolate. In order to observe the differential expression of metabolites, liquid chromatography-mass spectrometry analyses of the different strains were compared using sieve 1.2 software to extract metabolic differences. The output from sieve was searched against a metabolite database using an Excel-based macro written in-house. Metabolic differences were observed between the wild-type strains, and also between both Chocolate and Maroon Like compared with Oregon R. It was established that a metabonomic approach could produce results leading to the generation of new hypotheses. In addition, the structure of a new class of lipid with a histidine head group, found in all of the strains of flies, but lower in Maroon Like, was elucidated.",Towards a platform for the metabonomic profiling of different strains of Drosophila melanogaster using liquid chromatography-Fourier transform mass spectrometry.,"['Animals', 'Biopterin', 'Chromatography, Liquid', 'Drosophila melanogaster', 'Fourier Analysis', 'Histidine', 'Lipids', 'Mass Spectrometry', 'Metabolomics', 'Pteridines']","[None, 'chemistry', None, 'metabolism', None, 'chemistry', 'chemistry', None, 'methods', 'chemistry']",0.0,cocoa,0.0392156862745098,"['Drosophila', 'histidine']",1,2
16848542,"Sensory-guided decomposition of roasted cocoa nibs revealed that, besides theobromine and caffeine, a series of bitter-tasting 2,5-diketopiperazines and flavan-3-ols were the key inducers of the bitter taste as well as the astringent mouthfeel imparted upon consumption of roasted cocoa. In addition, a number of polyphenol glycopyranosides as well as a series of N-phenylpropenoyl-l-amino acids have been identified as key astringent compounds of roasted cocoa. In the present investigation, a total of 84 putative taste compounds were quantified in roasted cocoa beans and then rated for the taste contribution on the basis of dose-over-threshold (DoT) factors to bridge the gap between pure structural chemistry and human taste perception. To verify these quantitative results, an aqueous taste reconstitute was prepared by blending aqueous solutions of the individual taste compounds in their ""natural"" concentrations. Sensory analyses revealed that the taste profile of this artificial cocktail was very close to the taste profile of an aqueous suspension of roasted cocoa nibs. To further narrow down the number of key taste compounds, finally, taste omission experiments and human dose/response functions were performed, demonstrating that the bitter-tasting alkaloids theobromine and caffeine, seven bitter-tasting diketopiperazines, seven bitter- and astringent-tasting flavan-3-ols, six puckering astringent N-phenylpropenoyl-l-amino acids, four velvety astringent flavonol glycosides, gamma-aminobutyric acid, beta-aminoisobutyric acid, and six organic acids are the key organoleptics of the roasted cocoa nibs.",Molecular definition of the taste of roasted cocoa nibs (Theobroma cacao) by means of quantitative studies and sensory experiments.,"['Cacao', 'Chromatography, High Pressure Liquid', 'Hot Temperature', 'Humans', 'Mass Spectrometry', 'Plant Extracts', 'Seeds', 'Sensation', 'Taste', 'Water']","['chemistry', None, None, None, None, 'chemistry', 'chemistry', None, None, None]",1.0,cocoa,0.19230769230769232,"['bitter-tasting alkaloids theobromine', 'theobromine', 'roasted cocoa', 'gamma-aminobutyric acid', 'roasted cocoa nibs', 'acids', 'caffeine', 'velvety astringent flavonol glycosides', 'roasted cocoa beans', 'beta-aminoisobutyric acid', 'polyphenol glycopyranosides']",1,15
21945577,"Two kinds of monoclonal antibodies (MoAbs), OCA-10A and OCA-1B, were prepared based on their specificity to ochratoxin A (OTA) and ochratoxin B (OTB) and on their tolerance to 40% methanol. In an indirect competitive enzyme-linked immunosorbent assay, the half maximal inhibitory concentration (IC(50)) value of OCA-10A was 27ng/mL for OTA and 17ng/mL for OTB, and that of OCA-1B was 28ng/mL for OTA and 13ng/mL for OTB. Immuno-affinity columns (IACs) using these MoAbs were prepared with agarose gel beads. The IAC with OCA-1B showed a NaCl-dependent binding ability to OTA and OTB, while interestingly, the IAC with OCA-10A bound to them without NaCl. The IAC with OCA-10A showed a high methanol tolerance when compared with existing IACs, as expected from the high methanol tolerance of OCA-10A itself. Such tolerance was maintained for the application of the cocoa extract with 70% methanol and the wheat extract with 60% acetonitrile, while the tolerance was slightly altered by interference from the cocoa extract. Examinations with organic solvents at higher concentrations than the allowable level in existing IACs showed that OTA and OTB spiked with wheat, cocoa and red wine could be purified with high recovery. The newly developed IAC is expected to show sufficient clean-up ability for food analyses.",Development of an immuno-affinity column for ochratoxin analysis using an organic solvent-tolerant monoclonal antibody.,"['Acetonitriles', 'Animals', 'Antibodies, Monoclonal', 'Antibody Specificity', 'Antigen-Antibody Reactions', 'Cacao', 'Chromatography, Affinity', 'Enzyme-Linked Immunosorbent Assay', 'Female', 'Hemocyanins', 'Immunization, Secondary', 'Immunoassay', 'Inhibitory Concentration 50', 'Methanol', 'Mice', 'Mice, Inbred BALB C', 'Ochratoxins', 'Organic Chemistry Phenomena', 'Sodium Chloride', 'Solvents']","['chemistry', None, 'chemistry', None, None, 'chemistry', 'instrumentation', 'methods', None, 'administration & dosage', None, 'instrumentation', None, 'chemistry', None, None, 'administration & dosage', None, 'chemistry', None]",0.0,cocoa,0.373134328358209,"['ochratoxin A', 'ochratoxin B', 'IAC', 'OTA', 'NaCl', 'acetonitrile', 'methanol', 'OTB', 'organic solvents', 'cocoa extract']",1,25
20492142,"Cocoa beans were alkalized before or after roasting and made into cocoa liquor before analyzing by SIFT-MS. In both alkalized-before-roasting and alkalized-after-roasting samples, there were significantly higher concentrations of alkylpyrazines for the samples with pH above 7 than pH below 7. At pH 8, the concentrations of 2,3-, 2,5-, and 2,6-dimethylpyrazine (DMP), 2,3,5-trimethylpyrazine (TrMP), 2,3,5,6-tetramethylpyrazine (TMP), and 2,3-diethyl-5-methylpyrazine (EMP) in the samples alkalized-before-roasting were higher than those in the samples alkalized-after-roasting. Volatiles increased under conditions that promoted the Maillard reaction. The partition coefficient was not significantly affected by pH from 5.2 to 8. The ratios of TrMP/DMP and DMP/TMP increased while the ratio of TMP/TrMP decreased as the pH increased. The concentrations of Strecker aldehydes and other volatiles followed a similar pattern as that of the alkylpyrazines. High pH favors the production of alkylpyrazines and Strecker aldehydes.","Alkylpyrazines and other volatiles in cocoa liquors at pH 5 to 8, by Selected Ion Flow Tube-Mass Spectrometry (SIFT-MS).","['Acetaldehyde', 'Alcoholic Beverages', 'Aldehydes', 'Cacao', 'Food Handling', 'Furans', 'Hydrogen-Ion Concentration', 'Mass Spectrometry', 'Pyrazines', 'Volatile Organic Compounds']","['analogs & derivatives', 'analysis', 'analysis', 'chemistry', 'methods', 'analysis', None, 'methods', 'analysis', 'analysis']",1.0,cocoa,0.25,"['TMP', '2,3-diethyl-5-methylpyrazine', '2,6-dimethylpyrazine', 'EMP', '2,3-', 'aldehydes', 'DMP', 'Cocoa', '2,3,5-trimethylpyrazine', 'alkylpyrazines', 'Strecker aldehydes', '2,3,5,6-tetramethylpyrazine']",1,13
14745773,"Positional distribution of fatty acyl chains of triacylglycerols (TGs) in vegetable oils and fats (palm oil, cocoa butter) and animal fats (beef, pork and chicken fats) was examined by reversed-phase high-performance liquid chromatography (RP-HPLC) coupled to atmospheric pressure chemical ionization using a quadrupole mass spectrometer. Quantification of regioisomers was achieved for TGs containing two different fatty acyl chains (palmitic (P), stearic (S), oleic (O), and/or linoleic (L)). For seven pairs of 'AAB/ABA'-type TGs, namely PPS/PSP, PPO/POP, SSO/SOS, POO/OPO, SOO/OSO, PPL/PLP and LLS/LSL, calibration curves were established on the basis of the difference in relative abundances of the fragment ions produced by preferred losses of the fatty acid from the 1/3-position compared to the 2-position. In practice the positional isomers AAB and ABA yield mass spectra showing a significant difference in relative abundance ratios of the ions AA(+) to AB(+). Statistical analysis of the validation data obtained from analysis of TG standards and spiked oils showed that, under repeatability conditions, least-squares regression can be used to establish calibration curves for all pairs. The regression models show linear behavior that allow the determination of the proportion of each regioisomer in an AAB/ABA pair, within a working range from 10 to 1000 microg/mL and a 95% confidence interval of +/-3% for three replicates.",Quantitative analysis of triacylglycerol regioisomers in fats and oils using reversed-phase high-performance liquid chromatography and atmospheric pressure chemical ionization mass spectrometry.,"['Animals', 'Atmospheric Pressure', 'Calibration', 'Chromatography, High Pressure Liquid', 'Fats', 'Isomerism', 'Mass Spectrometry', 'Meat', 'Oils', 'Reference Standards', 'Triglycerides']","[None, None, None, None, 'chemistry', None, 'methods', None, 'chemistry', None, 'analysis']",,cocoa,0.17391304347826086,"['ABA', 'TGs', 'regioisomers', 'cocoa butter', 'fatty acyl chains', 'linoleic', 'oleic', 'triacylglycerols', 'palmitic', 'vegetable oils', 'stearic', 'fatty acid']",1,12
19631941,"The development of an off-line comprehensive 2-dimensional liquid chromatography (2-D-LC) method for the analysis of procyanidins is reported. In the first dimension, oligomeric procyanidins were separated according to molecular weight by hydrophilic interaction chromatography (HILIC), while reversed phase LC was employed in the second dimension to separate oligomers based on hydrophobicity. Fluorescence, UV and electrospray ionisation mass spectrometry (ESI-MS) were employed for identification purposes. The combination of these orthogonal separation methods is shown to represent a significant improvement compared to 1-dimensional methods for the analysis of complex high molecular weight procyanidin fractions, by simultaneously providing isomeric and molecular weight information. The low correlation (r(2)<0.2100) between the two LC modes afforded a practical peak capacity in excess of 2300 for the optimal off-line method. The applicability of the method is demonstrated for the analysis of phenolic extracts of apple and cocoa.",Off-line comprehensive 2-dimensional hydrophilic interaction x reversed phase liquid chromatography analysis of procyanidins.,"['Biopolymers', 'Cacao', 'Chromatography, High Pressure Liquid', 'Fruit', 'Malus', 'Phenols', 'Plant Extracts', 'Proanthocyanidins', 'Seeds', 'Spectrometry, Mass, Electrospray Ionization']","['analysis', 'chemistry', 'methods', 'chemistry', 'chemistry', 'analysis', 'chemistry', 'analysis', 'chemistry', None]",2.0,cocoa,0.06818181818181818,"['procyanidin', 'procyanidins']",1,3
25167469,"Despite the key role of flavan-3-ols in many foods, very little is yet known concerning the modification of their chemical structures through food processes. Degradation of model media containing (-)-epicatechin and procyanidin B2, either separately or together, was monitored by RP-HPLC-DAD-ESI(-)-MS/MS. Medium composition (aqueous or lipidic) and temperature (60 and 90 _C) were studied. In aqueous medium at 60 _C, (-)-epicatechin was mainly epimerized to (-)-catechin, but it was also oxidized to ""chemical"" dimers, a ""chemical"" trimer, and dehydrodi(epi)catechin A. Unlike oxidation, epimerization was enhanced at 90 _C. In lipidic medium, epimerization proved slow but degradation was faster. Procyanidin B2 likewise proved able to epimerize, especially at 90 _C and in aqueous medium. At high temperature only, the interflavan linkage was cleaved, yielding the same compounds as those found in the monomer-containing model medium. Oxidation to procyanidin A2 was also evidenced. With little epimerization and slow oxidation even at 90 _C, procyanidin B2 proved more stable in lipidic medium. Synergy was also observed: in the presence of the monomer, the dimer degradation rate increased 2-fold at 60 _C. This work states for the first time the presence of newly formed flavan-3-ol oligomers in processed cocoa. ","Degradation of (-)-epicatechin and procyanidin B2 in aqueous and lipidic model systems. first evidence of ""chemical"" flavan-3-ol oligomers in processed cocoa.","['Biflavonoids', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Dimerization', 'Flavonoids', 'Food Handling', 'Hot Temperature', 'Polyphenols', 'Proanthocyanidins', 'Solutions', 'Spectrometry, Mass, Electrospray Ionization', 'Tandem Mass Spectrometry', 'Water']","['analysis', 'chemistry', 'analysis', None, None, 'analysis', 'methods', None, 'analysis', 'analysis', None, None, None, None]",0.0,cocoa,0.20689655172413793,"['_\x8dC.', 'aqueous medium', 'lipidic medium', 'flavan-3-ols', 'Procyanidin', 'procyanidin', '(-)-epicatechin']",1,12
22468361,"The performance of Gluten-Tec (EuroProxima, Arnhem, The Netherlands) was tested through an interlaboratory study in accordance with AOAC guidelines. Gluten-Tec is a competitive ELISA that detects an immunostimulatory epitope of a-gliadin in dietary food for celiacs. Fifteen laboratories, representing 14 different countries, announced their interest in taking part in this study. Of the 12 laboratories that sent the results within the established timeframe, two submitted inappropriate standard curves and were excluded from the statistical analysis. Four different food matrixes (rice-based baby food, maize bread, chocolate cake mix, and beer) were selected for preparing the test samples. Two gliadin extraction procedures were used: the conventional 60% ethanol, and a new method based on the reducing reagent dithiothreitol. The 38 samples (19 blind duplicates) tested in this study were prepared by diluting the different extracts in order to cover a wide range of gliadin levels. Both sample extraction and dilution were performed by EuroProxima; the present interlaboratory study was focused only on testing the ELISA part of the Gluten-Tec kit protocol. Repeatability values (within-laboratory variance), expressed as RSD(r) ranged from 6.2 to 25.7%, while reproducibility values (interlaboratory variance), expressed as RSD(R), ranged from 10.6 to 45.9%. Both statistical parameters were in the acceptable range of ELISAs under these conditions, and the method will be presented to the Codex Alimentarius as a preferred method for gluten analysis.",Validation of a new enzyme-linked immunosorbent assay to detect the triggering proteins and peptides for celiac disease: interlaboratory study.,"['Allergens', 'Beer', 'Celiac Disease', 'Chromatography, High Pressure Liquid', 'Dietary Proteins', 'Enzyme-Linked Immunosorbent Assay', 'Food Analysis', 'Food Hypersensitivity', 'Gliadin', 'Glutens', 'Humans', 'Indicators and Reagents', 'Infant', 'Infant Food', 'Limit of Detection', 'Peptides', 'Reagent Kits, Diagnostic', 'Reproducibility of Results']","['analysis', 'analysis', 'chemically induced', None, 'analysis', 'methods', None, 'immunology', 'analysis', 'analysis', None, None, None, None, None, 'analysis', None, None]",,cocoa,0.07352941176470588,"['dithiothreitol', 'ethanol', 'a-gliadin', 'EuroProxima']",1,5
15759751,"Acrylamide levels in a variety of food samples were analyzed before and after 3 months of storage at 10 degrees-12 degrees C. The analysis was performed by liquid chromatography tandem mass spectrometry (LC/MS/MS) using deuterium-labeled acrylamide as internal standard. Acrylamide was stable in most matrixes (cookies, cornflakes, crispbread, raw sugar, potato crisps, peanuts) over time. However, slight decreases were determined for dietary biscuits (83-89%) and for licorice confection (82%). For coffee and cacao powder, a significant decrease occurred during storage for 3 or 6 months, respectively. Acrylamide concentrations dropped from 305 to 210 microg/kg in coffee and from 265 to 180 microg/kg in cacao powder. On the contrary, acrylamide remained stable in soluble coffee as well as in coffee substitutes. Reactions of acrylamide with SH group-containing substances were assumed as the cause for acrylamide degradation in coffee and cacao. Spiking experiments with acrylamide revealed that acrylamide concentrations remained stable in baby food, cola, and beer; however, recovery levels dropped in milk powder (71%), sulfurized apricot (53%), and cacao powder (17%). These observations suggest that variations in the acrylamide content of food, especially in coffee and cacao, can vary depending on the storage time because special food constituents and/or reaction products can affect the levels.",Studies on the stability of acrylamide in food during storage.,"['Acrylamide', 'Bread', 'Cacao', 'Carbohydrate Metabolism', 'Chromatography, Liquid', 'Coffee', 'Deuterium', 'Edible Grain', 'Food', 'Food Analysis', 'Food Contamination', 'Food Handling', 'Gas Chromatography-Mass Spectrometry', 'Mass Spectrometry', 'Temperature', 'Time Factors']","['chemistry', None, None, None, None, None, 'chemistry', None, None, None, None, None, None, None, None, None]",,cocoa,0.136986301369863,"['acrylamide', 'Acrylamide']",1,10
17394333,"The development and in-house testing of a method for the quantification of milk fat in chocolate fats is described. A database consisting of the triacylglycerol profiles of 310 genuine milk fat samples from 21 European countries and 947 mixtures thereof with chocolate fats was created under a strict quality control scheme using 26 triacylglycerol reference standards for calibration purposes. Out of the individual triacylglycerol fractions obtained, 1-palmitoyl-2-stearoyl-3-butyroyl-glycerol (PSB) was selected as suitable marker compound for the determination of the proportion of milk fat in chocolate fats. By using PSB values from the standardized database, a calibration function using simple linear regression analysis was calculated to be used for future estimations of the milk fat content. A comparison with the widely used butyric acid method, which is currently used to determine the milk fat content in nonmilk fat mixtures, showed that both methods were equivalent in terms of accuracy. The advantage of the presented approach is that for further applications, i.e., determination of foreign fats in chocolate fats, just a single analysis is necessary, whereas for the same purpose, the C4 method requires two different analytical methods.",Quantification of milk fat in chocolate fats by triacylglycerol analysis using gas-liquid chromatography.,"['Animals', 'Cacao', 'Chromatography, Gas', 'Fats', 'Milk', 'Quality Control', 'Triglycerides']","[None, 'chemistry', None, 'analysis', 'chemistry', None, 'analysis']",0.0,cocoa,0.0851063829787234,"['triacylglycerol', 'butyric acid']",1,4
8197829,"Direct injection of oil or fat into a moderately heated injector enables performance of a kind of headspace technique in the injector: oil or fat is diluted 1:1 with acetone and injected into a vaporizing chamber at 200 degrees C. Components, for example organophosphorus insecticides, evaporate from the oil film on the insert wall and are transferred into the column in the splitless mode; the oil slowly flows along the wall to the bottom of the insert and is retained there in a kind of a bag. Using a flame photometric detector, detection limits are below 10 micrograms/kg.",Determination of organophosphorus insecticides in edible oils and fats by splitless injection of the oil into a gas chromatograph (injector-internal headspace analysis).,"['Chromatography, Gas', 'Dietary Fats', 'Dietary Fats, Unsaturated', 'Food Contamination', 'Insecticides', 'Olive Oil', 'Organophosphorus Compounds', 'Plant Oils']","['methods', 'analysis', 'analysis', 'analysis', 'analysis', None, None, 'analysis']",,cocoa,0.0625,"['acetone', 'headspace']",1,2
8471853,"A liquid chromatographic procedure already evaluated in a preceding study for the analysis of acesulfam-K is also suitable for the determination of the intense sweetener aspartame in tabletop sweetener, candy, fruit beverage, fruit pulp, soft drink, yogurt, cream, cheese, and chocolate preparations. The method also allows the determination of aspartame's major decomposition products: diketopiperazine, aspartyl-phenylalanine, and phenylalanine. Samples are extracted or diluted with water and filtered. Complex matrixes are centrifuged or clarified with Carrez solutions. An aliquot of the extract is analyzed on a reversed-phase muBondapak C18 column using 0.0125M KH2PO4 (pH 3.5)-acetonitrile ([85 + 15] or [98 + 2]) as mobile phase. Detection is performed by UV absorbance at 214 nm. Recoveries ranged from 96.1 to 105.0%. Decomposition of the sweetener was observed in most food samples. However, the total aspartame values (measured aspartame + breakdown products) were within -10% and +5% of the declared levels. The repeatabilities and the repeatability coefficients of variation were, respectively, 1.00 mg/100 g and 1.34% for products containing less than 45 mg/100 g aspartame and 4.11 mg/100 g and 0.91% for other products. The technique is precise and sensitive. It enables the detection of many food additives or natural constituents, such as other intense sweeteners, organic acids, and alkaloids, in the same run without interfering with aspartame or its decomposition products. The method is consequently suitable for quality control or monitoring.",Determination of aspartame and its major decomposition products in foods.,"['Animals', 'Aspartame', 'Beverages', 'Candy', 'Chromatography, Thin Layer', 'Drug Stability', 'Food Analysis', 'Fruit', 'Milk', 'Sweetening Agents']","[None, 'analysis', 'analysis', 'analysis', None, None, 'methods', 'chemistry', 'chemistry', 'chemistry']",,cocoa,0.16417910447761194,"['aspartame', 'diketopiperazine', 'aspartyl-phenylalanine', 'KH2PO4', 'acids', 'phenylalanine']",1,11
17031994,"Detection of peptides from the peanut allergen Ara h 1 by liquid chromatography-mass spectrometry (LC-MS) was used to identify and estimate total peanut protein levels in dark chocolate. A comparison of enzymatic digestion subsequent to and following extraction of Ara h 1 from the food matrix revealed better limits of detection (LOD) for the pre-extraction digestion (20 ppm) than for the postextraction digestion (50 ppm). Evaluation of LC-MS instruments and scan modes showed the LOD could be further reduced to 10 ppm via a triple-quadrupole and multiple-reaction monitoring. Improvements in extraction techniques combined with an increase in the amount of chocolate extracted (1 g) improved the LOD to 2 ppm of peanut protein. This method provides an unambiguous means of confirming the presence of the peanut protein in foods using peptide markers from a major allergen, Ara h 1, and can easily be modified to detect other food allergens.",Confirmation of peanut protein using peptide markers in dark chocolate using liquid chromatography-tandem mass spectrometry (LC-MS/MS).,"['Allergens', 'Amino Acid Sequence', 'Antigens, Plant', 'Cacao', 'Chromatography, Liquid', 'Food Contamination', 'Glycoproteins', 'Mass Spectrometry', 'Molecular Sequence Data', 'Peptide Fragments', 'Peptide Hydrolases', 'Plant Proteins', 'Sensitivity and Specificity']","['analysis', None, None, 'chemistry', None, 'analysis', 'analysis', None, None, 'analysis', 'metabolism', 'analysis', None]",0.0,cocoa,0.0,[],1,0
19280160,"The antioxidant potential of commercial beverages against peroxyl radical was determined using the Total Oxyradical Scavenging Capacity (TOSC) assay. Peroxyl radicals generated from thermal homolysis of 2,2'-azobis-amidinopropane oxidize alpha-keto-gamma-methiolbutyric acid to ethylene, which is monitored by gas chromatography. The TOSC of each beverage is quantified from its ability to inhibit ethylene generation relative to a control reaction. Nine different beverages (green tea, jasmine tea, black tea, instant coffee, brewed coffee, cocoa mix, oolong tea, prune juice, and grape juice) were selected for this study. Their antioxidant capacities per a cup-serving (125 mL) were measured and compared to peroxyl radical scavenging capacity provided by a recommended daily dose of ascorbic acid (90 mg) dissolved in the same volume of water. The greatest antioxidant capacity was found in brewed coffee, which was followed, in decreasing order, by prune juice, instant coffee, green tea, cocoa mix, grape juice, jasmine tea, black tea, oolong tea, and ascorbic acid. There was an almost 7-fold difference in the TOSC between brewed coffee and ascorbic acid. The data suggest a potential role for commonly consumed beverages in lowering the risk of pathophysiologies associated with peroxyl radical-mediated events.",Comparison of peroxyl radical scavenging capacity of commonly consumed beverages.,"['Beverages', 'Free Radical Scavengers', 'Linear Models', 'Oxidation-Reduction', 'Peroxides']","['analysis', 'chemistry', None, None, 'chemistry']",0.0,cocoa,0.27692307692307694,"['oolong tea', 'ethylene', 'grape juice, jasmine tea', 'ascorbic acid', 'jasmine tea', 'brewed coffee, cocoa', 'Peroxyl', 'green tea', 'brewed coffee', 'peroxyl', 'grape juice']",1,18
28110526,"Jackfruit seeds are an underutilized waste in many tropical countries. This work demonstrates the potential of roasted jackfruit seeds to develop chocolate aroma. Twenty-seven different roasted jackfruit seed flours were produced from local jackfruit by acidifying or fermenting the seeds prior to drying and then roasting under different time/temperature combinations. The chocolate aroma of groups of four flours were ranked by a sensory panel (n = 162), and response surface methodology was used to identify optimum conditions. The results indicated a significant and positive influence of fermentation and acidification on the production of chocolate aroma. SPME/GC-MS of the flours showed that important aroma compounds such as 2,3-diethyl-5-methylpyrazine and 2-phenylethyl acetate were substantially higher in the fermented product and that the more severe roasting conditions produced 2-3 times more 2,3-diethyl-5-methylpyrazine, but less 3-methylbutanal. Moisture, a",Optimization of Postharvest Conditions To Produce Chocolate Aroma from Jackfruit Seeds.,"['Acetates', 'Adolescent', 'Adult', 'Artocarpus', 'Chocolate', 'Female', 'Fermentation', 'Flour', 'Gas Chromatography-Mass Spectrometry', 'Humans', 'Industrial Waste', 'Male', 'Middle Aged', 'Odorants', 'Phenylethyl Alcohol', 'Seeds', 'Volatile Organic Compounds', 'Waste Management', 'Young Adult']","['analysis', None, None, 'chemistry', None, None, None, None, 'methods', None, None, None, None, 'analysis', 'analogs & derivatives', 'chemistry', 'analysis', None, None]",0.0,cocoa,0.18181818181818182,"['2,3-diethyl-5-methylpyrazine', 'Jackfruit', '3-methylbutanal', 'time/temperature', 'roasted jackfruit', 'roasted jackfruit seed', '2-phenylethyl acetate']",1,8
11128210,"Supercritical carbon dioxide can be used to carry out a selective and fast extraction (30 min) of volatile hydrocarbons and 2-alkylcyclobutanones contained in irradiated foods. After elimination of the traces of triglycerides still contained in the extracts on a silica column, the compounds were analysed by gas chromatography-mass spectroscopy (2-alkylcyclobutanones) and gas chromatography-flame ionization detection (volatile hydrocarbons). The present method was applied successfully to freeze-dried samples (1 g or less) of cheese, chicken, avocados and to various ingredients (chocolate, liquid whole eggs) included in non-irradiated cookies. It was faster (4-5 h) than the reference methods EN 1784 (volatile hydrocarbons) and EN 1785 (2-alkylcyclobutanones), which take 1.5 days each. The minimal dose detectable by this method is, in addition, slightly lower than those of the reference methods.",Supercritical fluid extraction of hydrocarbons and 2-alkylcyclobutanones for the detection of irradiated foodstuffs.,"['Cyclobutanes', 'Food Analysis', 'Food Irradiation', 'Gas Chromatography-Mass Spectrometry', 'Hydrocarbons', 'Reference Standards']","['analysis', None, None, None, 'analysis', None]",0.0,cocoa,0.08333333333333333,"['triglycerides', 'Supercritical carbon dioxide', 'volatile hydrocarbons']",1,3
22705559,"The detection and quantification of polyphenols in biological samples is mainly performed by liquid chromatography in tandem with mass spectrometry (HPLC-MS/MS). This technique requires the use of organic solvents and needs control and maintenance of several MS/MS parameters, which makes the method expensive and time consuming. The main objective of this study was to evaluate, for the first time, the potential of using attenuated total reflection infrared microspectroscopy (ATR-IRMS) coupled with multivariate analysis to detect and quantify phenolic compounds excreted in human urine. Samples were collected from 5 healthy volunteers before and 6, 12 and 24 h after ingestion of 40 g cocoa powder with 250 mL of water or whole milk, and stored at -80 _C. Each sample was centrifuged at 5000 rpm for 10 min and at 4 _C and applied onto grids of a hydrophobic membrane. Spectra were collected in the attenuated total reflection (ATR) mode in the mid-infrared region (4000-800 cm(-1)) and were analyzed by a multivariate analysis technique, soft independent modeling of class analogy (SIMCA). Spectral models showed that IR bands responsible for chemical differences among samples were related to aromatic rings. Therefore, ATR-IRMS could be an interesting and straightforward technique for the detection of phenolic compounds excreted in urine. Moreover, it could be a valuable tool in studies aimed to identify biomarkers of consumption of polyphenol-rich diets.",Attenuated total reflection infrared microspectroscopy combined with multivariate analysis: a novel tool to study the presence of cocoa polyphenol metabolites in urine samples.,"['Cacao', 'Humans', 'Multivariate Analysis', 'Polyphenols', 'Reference Values', 'Spectroscopy, Fourier Transform Infrared']","['chemistry', None, None, 'metabolism', None, None]",0.0,cocoa,0.04411764705882353,"['polyphenols', 'ATR', 'polyphenol-rich']",1,3
17604905,"A cloud point extraction procedure was presented for the preconcentration of copper, nickel and cobalt ions in various samples. After complexation with methyl-2-pyridylketone oxime (MPKO) in basic medium, analyte ions are quantitatively extracted to the phase rich in Triton X-114 following centrifugation. 1.0 mol L(-1) HNO(3) nitric acid in methanol was added to the surfactant-rich phase prior to its analysis by flame atomic absorption spectrometry (FAAS). The adopted concentrations for MPKO, Triton X-114 and HNO(3), bath temperature, centrifuge rate and time were optimized. Detection limits (3 SDb/m) of 1.6, 2.1 and 1.9 ng mL(-1) for Cu(2+), Co(2+) and Ni(2+) along with preconcentration factors of 30 and for these ions and enrichment factor of 65, 58 and 67 for Cu(2+), Ni(2+) and Co(2+), respectively. The high efficiency of cloud point extraction to carry out the determination of analytes in complex matrices was demonstrated. The proposed procedure was applied to the analysis of biological, natural and wastewater, soil and blood samples.","Cloud point extraction for the determination of copper, nickel and cobalt ions in environmental samples by flame atomic absorption spectrometry.","['Animals', 'Cacao', 'Candy', 'Cattle', 'Centrifugation', 'Cobalt', 'Copper', 'Environmental Monitoring', 'Environmental Pollutants', 'Fresh Water', 'Hydrogen-Ion Concentration', 'Liver', 'Methanol', 'Nickel', 'Oximes', 'Polyethylene Glycols', 'Pyrazoles', 'Sodium Chloride', 'Soil', 'Spectrophotometry, Atomic', 'Spinacia oleracea', 'Surface-Active Agents', 'Temperature', 'Water Supply']","[None, None, 'analysis', 'blood', None, 'analysis', 'analysis', None, 'analysis', 'analysis', None, 'chemistry', 'chemistry', 'analysis', 'chemistry', 'chemistry', 'chemistry', 'chemistry', 'analysis', None, 'chemistry', 'chemistry', None, 'analysis']",0.0,cocoa,0.1111111111111111,"['copper', 'nickel', 'nitric acid', 'cobalt', 'methanol', 'methyl-2-pyridylketone oxime']",1,6
27503535,"Complicated urinary tract infections, such as pyelonephritis, may lead to sepsis. Rapid diagnosis is needed to identify the causative urinary pathogen and to verify the appropriate empirical antimicrobial therapy. We describe here a rapid identification method for urinary pathogens: urine is incubated on chocolate agar for 3h at 35_C with 5% CO2 and subjected to MALDI-TOF MS analysis by VITEK MS. Overall 207 screened clinical urine samples were tested in parallel with conventional urine culture. The method, called U-si-MALDI-TOF (urine short incubation MALDI-TOF), showed correct identification for 86% of Gram-negative urinary tract pathogens (Escherichia coli, Klebsiella pneumoniae, and other Enterobacteriaceae), when present at >10(5)cfu/ml in culture (n=107), compared with conventional culture method. However, Gram-positive bacteria (n=28) were not successfully identified by U-si-MALDI-TOF. This method is especially suitable for rapid identification of E. coli, the most common cause of urinary tract infections and urosepsis. Turnaround time for identification using U-si-MALDI-TOF compared with conventional urine culture was improved from 24h to 4-6h.",Identification of urinary tract pathogens after 3-hours urine culture by MALDI-TOF mass spectrometry.,"['Bacteriological Techniques', 'Escherichia coli', 'Gram-Negative Bacteria', 'Gram-Negative Bacterial Infections', 'Humans', 'Sepsis', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization', 'Time Factors', 'Urinary Tract Infections', 'Urine']","['instrumentation', 'isolation & purification', 'chemistry', 'diagnosis', None, None, 'methods', None, 'diagnosis', 'microbiology']",0.0,cocoa,0.08695652173913043,"['CO2', 'Enterobacteriaceae', 'Klebsiella', '4-6h']",1,4
11962690,"Residual levels of 12 solvents in 87 natural food additives (66 samples of food colours, 19 samples of natural antioxidants and two natural preservatives) collected between 1997 and 1999 were determined by automated head-space GC using FID, with a porous-polymer (PLOT) column. Calibration curves were prepared by the method of standard addition. Confirmation was by manually injected head-space GC using mass spectrometric detection. 1,2-Dichloroethane was found in turmeric colour (natural food colour) collected in 1997 at the concentrations of 8.6 microg g(-1), but was not found in samples collected in 1998 and 1999. Hexane was found in three samples of dunaliella carotene (11, 72 and 75 microg g(-1)), and in chlorophyll at 93 microg g(-1) (both natural food colours). Acetone was found in turmeric colour, annatto colour, dunaliella carotene, kaoliang colour, cacao colour at a concentration between 8.7 and 42 microg g(-1) (all natural food colours).",Survey of residual solvents in natural food additives by standard addition head-space GC.,"['Antioxidants', 'Chromatography, Gas', 'Food Additives', 'Food Coloring Agents', 'Food Contamination', 'Food Handling', 'Food Preservatives', 'Gas Chromatography-Mass Spectrometry', 'Humans', 'Solvents']","['chemistry', 'methods', 'chemistry', 'chemistry', 'analysis', None, 'chemistry', 'methods', None, 'analysis']",,cocoa,0.16666666666666666,"['Hexane', 'carotene', 'Acetone', 'cacao colour', 'FID', 'chlorophyll']",1,7
28208630,"Phenolic compounds, which are secondary plant metabolites, are considered an integral part of the human diet. Physiological properties of dietary polyphenols have come to the attention in recent years. Especially, proanthocyanidins (ranging from dimers to decamers) have demonstrated potential interactions with biological systems, such as antiviral, antibacterial, molluscicidal, enzyme-inhibiting, antioxidant, and radical-scavenging properties. Agroindustry produces a considerable amount of phenolic-rich sources, and the ability of polyphenolic structures to interacts with other molecules in living organisms confers their beneficial properties. Cocoa wastes and grape seeds and skin byproducts are a source of several phenolic compounds, particularly mono-, oligo-, and polymeric proanthocyanidins. The aim of this work is to compare the phenolic composition of Theobroma cacao and Vitis vinifera grape seed extracts by high pressure liquid chromatography coupled to a quadrupole time-of-flight mass spectrometer and equipped with an electrospray ionization interface (HPLC-ESI-QTOF-MS) and its phenolic quantitation in order to evaluate the proanthocyanidin profile. The antioxidant capacity was measured by different methods, including electron transfer and hydrogen atom transfer-based mechanisms, and total phenolic and flavan-3-ol contents were carried out by Folin-Ciocalteu and Vanillin assays. In addition, to assess the anti-inflammatory capacity, the expression of MCP-1 in human umbilical vein endothelial cells was measured.",Cocoa and Grape Seed Byproducts as a Source of Antioxidant and Anti-Inflammatory Proanthocyanidins.,"['Anti-Inflammatory Agents', 'Antioxidants', 'Cacao', 'Chromatography, High Pressure Liquid', 'Epithelial Cells', 'Flavonoids', 'Grape Seed Extract', 'Humans', 'Hydroxybenzoates', 'Phenols', 'Plant Extracts', 'Proanthocyanidins', 'Seeds', 'Spectrometry, Mass, Electrospray Ionization', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization', 'Vitis']","['chemistry', 'chemistry', 'chemistry', None, 'drug effects', 'chemistry', 'chemistry', None, 'chemistry', 'chemistry', 'chemistry', 'chemistry', 'chemistry', None, None, 'chemistry']",1.0,cocoa,0.11940298507462686,"['polyphenols', 'Vitis vinifera grape seed', 'hydrogen', 'Theobroma cacao', 'Folin-Ciocalteu and Vanillin', 'phenolic and flavan-3-ol contents', 'proanthocyanidins']",1,8
21107975,"The aim of this work was the determination of peptides, which can function as markers for identification of milk allergens in food samples. Emphasis was placed on two casein proteins (_±- and __-casein) and two whey proteins (_±-lactalbumin and __-lactoglobulin). In silico tryptic digestion provided preliminary information about the expected peptides. After tryptic digestion of four milk allergens, the analytical data obtained by combination of reversed-phase high performance liquid chromatography and quadrupole tandem mass spectrometry (LC-MS/MS) led to the identification of 26 peptides. Seven of these peptides were synthesized and used for calibration of the LC-MS/MS system. Species specificity of the selected peptides was sought by BLAST search. Among the selected peptides, only LIVTQTMK from __-lactoglobulin (m/z 467.6, charge 2+) was found to be cow milk specific and could function as a marker. Two other peptides, FFVAPFPEVFGK from _±-casein (m/z 693.3, charge 2+) and GPFPIIV from __-casein (m/z 742.5, charge 1+), occur in water buffalo milk too. The other four peptides appear in the milk of other species also and can be used as markers for ruminant species milk. Using these seven peptides, a multianalyte MS-based method was developed. For the establishment of the method, it was applied at first to different dairy samples, and then to chocolate and blank samples, and the peptides could be determined down to 1 ng/mL in food samples. At the end, spiked samples were measured, where the target peptides could be detected with a high recovery (over 50%).",Selection of possible marker peptides for the detection of major ruminant milk proteins in food by liquid chromatography-tandem mass spectrometry.,"['Animals', 'Biomarkers', 'Caseins', 'Chromatography, High Pressure Liquid', 'Dairy Products', 'Food Analysis', 'Lactalbumin', 'Lactoglobulins', 'Milk', 'Peptides', 'Tandem Mass Spectrometry']","[None, 'chemistry', 'analysis', None, 'analysis', None, 'analysis', 'analysis', 'chemistry', 'chemistry', None]",0.0,cocoa,0.05333333333333334,"['__-lactoglobulin (m/z 467.6, charge 2+', '__-lactoglobulin', '__-casein']",1,4
14582980,"Of three different solvents (acetone, ethanol, and methanol) mixed with water and acetic acid, the acetone/water/acetic acid mixture (70:28:2, v/v) proved to be best for extracting dark-chocolate procyanidins. High-performance liquid chromatography coupled with electrospray ionization mass spectrometry (HPLC-MS-ESI) was further used to identify oligomers found in the extract. After HPLC fraction collection, the reduction power of flavanoid fractions was measured in the AAPH [2,2'-azobis(2-amidinopropane)dihydrochloride] assay, where oxidation of linoleic acid is induced in an aqueous dispersion. Even expressed in relative monomeric efficiency units, the oxidation-inhibiting power of polymerized oligomers is much stronger than that of monomers. A comparison with 10 usual antioxidants indicated that oligomers with three or more (epi)catechin units are by far the most efficient.",Effect of the number of flavanol units on the antioxidant activity of procyanidin fractions isolated from chocolate.,"['Acetic Acid', 'Acetone', 'Amidines', 'Antioxidants', 'Biflavonoids', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Ethanol', 'Flavonols', 'Linoleic Acid', 'Methanol', 'Plant Extracts', 'Proanthocyanidins', 'Solvents', 'Spectrometry, Mass, Electrospray Ionization', 'Water']","[None, None, 'chemistry', 'chemistry', None, 'chemistry', 'chemistry', None, None, 'analysis', 'chemistry', None, 'chemistry', None, None, None, None]",0.0,cocoa,0.25,"['solvents', 'ethanol', ""2,2'-azobis(2-amidinopropane)dihydrochloride"", 'linoleic acid', 'methanol', 'acetone', 'acetic acid', 'AAPH', 'procyanidins']",1,9
28924329,"A computational tool was developed to facilitate proanthocyanidin analysis using data collected by ultra-high-performance liquid chromatography-diode array detection-high resolution accurate mass-mass spectrometry (UHPLC-DAD-HRAM-MS). Both identification and semi-quantitation of proanthocyanidins can be achieved by the developed computational tool. It can extract proanthocyanidin chromatographic peaks, deconvolute the isotopic patterns of A-type, B-type, and multi-charged proanthocyanidins ions, and predict proanthocyanidin structures. Proanthocyanidins were quantified by an external calibration curve of catechin and molar relative response factors (MRRFs) of proanthocyanidins. Quantitation results including concentrations of total proanthocyanidins, individual proanthocyanidins, and proanthocyanidins with different degrees of polymerization and different types of linkage were calculated by the program and exported into an Excel spreadsheet automatically. The program was applied to the analysis of seven plant materials including apple, cranberry, dark chocolate, grape seed extract, jujube, litchi, and mangosteen. The identification results were compared with the results obtained by manual processing. The program can greatly save the time needed for the data analysis of proanthocyanidins.",A Computational Tool for Accelerated Analysis of Oligomeric Proanthocyanidins in Plants.,[],[],0.0,cocoa,0.2,"['extract proanthocyanidin', 'proanthocyanidin', 'grape seed extract, jujube, litchi', 'catechin', 'proanthocyanidins']",1,11
29169644,"Food allergy is a considerable heath problem, as undesirable contaminations by allergens during food production are still widespread and may be dangerous for human health. To protect the population, laboratories need to develop reliable analytical methods in order to detect allergens in various food products. Currently, a large majority of allergen-related food recalls concern bakery products. It is therefore essential to detect allergens in unprocessed and processed foodstuffs. In this study, we developed a method for detecting ten allergens in complex (chocolate, ice cream) and processed (cookie, sauce) foodstuffs, based on ultra-high performance liquid chromatography coupled to tandem mass spectrometry (UHPLC-MS/MS). Using a single protocol and considering a signal-to-noise ratio higher than 10 for the most abundant multiple reaction monitoring (MRM) transition, we were able to detect target allergens at 0.5mg/kg for milk proteins, 2.5mg/kg for peanut, hazelnut, pistachio, and cashew proteins, 3mg/kg for egg proteins, and 5mg/kg for soy, almond, walnut, and pecan proteins. The ability of the method to detect 10 allergens with a single protocol in complex and incurred food products makes it an attractive alternative to the ELISA method for routine laboratories.",Liquid chromatography coupled to tandem mass spectrometry for detecting ten allergens in complex and incurred foodstuffs.,"['Allergens', 'Chocolate', 'Chromatography, High Pressure Liquid', 'Egg Proteins', 'Enzyme-Linked Immunosorbent Assay', 'Food Analysis', 'Food Hypersensitivity', 'Ice Cream', 'Milk Proteins', 'Nuts', 'Signal-To-Noise Ratio', 'Tandem Mass Spectrometry']","['analysis', 'analysis', 'methods', 'analysis', None, 'methods', None, 'analysis', 'analysis', 'chemistry', None, None]",0.0,cocoa,0.015625,['3mg/kg'],1,1
9691293,"A HPLC method is described for the analysis of ochratoxin A at low-ppb levels in samples of artificially contaminated cocoa beans. The samples are extracted in a mixture of methanol-water containing ascorbic acid, adjusted to pH and evaporated to dryness. Samples in this state are then placed onto a Benchmate sample preparation workstation where C18 solid-phase extraction operations are performed. The resulting materials are evaporated to dryness and analyzed by reversed-phase HPLC with fluorescence detection. The method was evaluated for accuracy and precision with R.S.D.s for multiple injections of sample and standard calculated to 1.1% and 2.5% for sample and standard, respectively. Recoveries of ochratoxin A added to cocoa beans ranged from 87-106% over the range of the assay.",High-performance liquid chromatographic determination of ochratoxin A in artificially contaminated cocoa beans using automated sample clean-up.,"['Autoanalysis', 'Cacao', 'Chromatography, High Pressure Liquid', 'Hydrogen-Ion Concentration', 'Indicators and Reagents', 'Mycotoxins', 'Ochratoxins', 'Spectrometry, Fluorescence']","[None, 'chemistry', None, None, None, 'analysis', 'analysis', None]",0.0,cocoa,0.07692307692307693,"['ochratoxin A', 'ascorbic acid']",1,3
27554027,"Sensitive detection of food allergens is affected by food processing and foodstuff complexity. It is therefore a challenge to detect cross-contamination in food production that could endanger an allergic customer's life. Here we used ultra-high performance liquid chromatography coupled to tandem mass spectrometry for simultaneous detection of traces of milk (casein, whey protein), egg (yolk, white), soybean, and peanut allergens in different complex and/or heat-processed foodstuffs. The method is based on a single protocol (extraction, trypsin digestion, and purification) applicable to the different tested foodstuffs: chocolate, ice cream, tomato sauce, and processed cookies. The determined limits of quantitation, expressed in total milk, egg, peanut, or soy proteins (and not soluble proteins) per kilogram of food, are: 0.5mg/kg for milk (detection of caseins), 5mg/kg for milk (detection of whey), 2.5mg/kg for peanut, 5mg/kg for soy, 3.4mg/kg for egg (detection of egg white), and 30.8mg/kg for egg (detection of egg yolk). The main advantage is the ability of the method to detect four major food allergens simultaneously in processed and complex matrices with very high sensitivity and specificity. ",Advances in ultra-high performance liquid chromatography coupled to tandem mass spectrometry for sensitive detection of several food allergens in complex and processed foodstuffs.,"['Allergens', 'Animals', 'Arachis', 'Chickens', 'Chromatography, High Pressure Liquid', 'Eggs', 'Food Analysis', 'Food Contamination', 'Food Handling', 'Milk', 'Soybean Proteins', 'Tandem Mass Spectrometry']","['chemistry', None, 'chemistry', None, 'methods', None, 'methods', 'analysis', None, 'chemistry', 'chemistry', 'methods']",0.0,cocoa,0.014705882352941176,['cream'],1,1
29146359,"This study aimed to develop an analytical method for the determination of tryptophan and its derivatives in kynurenine pathway using tandem mass spectrometry in various fermented food products (bread, beer, red wine, white cheese, yoghurt, kefir and cocoa powder). The method entails an aqueous extraction and reversed phase chromatographic separation using pentafluorophenyl (PFP) column. It allowed quantitation of low ppb levels of tryptophan and its derivatives in different fermented food matrices. It was found that beer samples were found to contain kynurenine within the range of 28.7_±0.7__g/L and 86.3_±0.5__g/L. Moreover, dairy products (yoghurt, white cheese and kefir) contained kynurenine ranging from 30.3 to 763.8__g/kg d.w. Though bread samples analyzed did not contain kynurenic acid, beer and red wine samples as yeast-fermented foods were found to contain kynurenic acid. Among foods analyzed, cacao powder had the highest amounts of kynurenic acid (4486.2_±165.6__g/kgd.w), which is a neuroprotective compound.",Determination of tryptophan derivatives in kynurenine pathway in fermented foods using liquid chromatography tandem mass spectrometry.,"['Beer', 'Cheese', 'Chromatography, High Pressure Liquid', 'Chromatography, Reverse-Phase', 'Cultured Milk Products', 'Fermented Foods', 'Kynurenic Acid', 'Kynurenine', 'Tandem Mass Spectrometry', 'Tryptophan', 'Wine']","['analysis', 'analysis', 'methods', 'methods', 'analysis', 'analysis', 'analysis', 'analysis', 'methods', 'analysis', 'analysis']",1.0,cocoa,0.20408163265306123,"['pentafluorophenyl', 'kynurenic acid', 'kynurenine', 'tryptophan', 'PFP']",1,10
8069126,"The IUPAC Commission on Oils, Fats, and Derivatives undertook development of a method and collaborative study for the determination of lead in oils and fats by direct graphite furnace-atomic absorption spectrophotometric method. Various types of graphite furnaces were used with or without platform. Twenty-three collaborators from 12 countries participated in the study. The materials tested were edible oils (soybean oil) and fats (cocoa butter) containing lead at 3 concentration levels (low, medium, and high). Each level was represented by 2 batches provided in duplicate (blind coded), so that each collaborator received a total of 24 test samples. Collaborators were instructed to analyze each in duplicate and report both results. Twenty collaborators returned the results of the study. After data from laboratories that did not follow the instructions were excluded, only 16 sets of data were evaluated statistically. The method for determination of lead in oils and fats by direct graphite furnace-atomic absorption spectrophotometry has been adopted first action by AOAC INTERNATIONAL as an IUPAC-AOCS-AOAC method.",Direct graphite furnace-atomic absorption method for determination of lead in edible oils and fats: summary of collaborative study.,"['Fats', 'Lead', 'Plant Oils', 'Reproducibility of Results', 'Soybean Oil', 'Spectrophotometry, Atomic']","['chemistry', 'analysis', 'chemistry', None, 'chemistry', 'methods']",,cocoa,0.038461538461538464,"['edible oils', 'cocoa butter']",1,2
16154731,"Our investigations deal with the identification and synthesis of volatile, odoriferous compounds contained in the exhaust gas of food factories and on the biodegradation of alkylpyrazines. Collection of odour emissions samples was performed with a gas sampler equipped with filter tubes containing the styrene-polymer SuperQ. After elution with solvents of different polarity, the extracts were analysed by GC/MS and chemical microreactions. Proposed structures were verified by comparison of analytical data with those of synthetic reference samples. Major components in the exhaust gas of a fat finishing factory were found to be aliphatic aldehydes, strongly dominated by hexanal. The identification of 1,2,3,3-tetramethylcyclohexene shows that for structural proof of target compounds the use of authentic reference samples is indispensable. In the exhaust gas from a chocolate factory, several carbonyl compounds and alkylated pyrazines could be identified. Biodegradation of the latter starts with hydrogenation at the nucleus.","Identification, structure elucidation, and synthesis of volatile compounds in the exhaust gas of food factories.","['Cacao', 'Chemistry Techniques, Analytical', 'Environmental Monitoring', 'Food Industry', 'Gas Chromatography-Mass Spectrometry', 'Odorants', 'Organic Chemicals', 'Volatilization', 'Waste Products']","['chemistry', 'methods', 'methods', None, None, 'analysis', 'analysis', None, 'analysis']",0.0,cocoa,0.08163265306122448,"['carbonyl', 'alkylated pyrazines', 'hexanal', 'aliphatic aldehydes']",1,4
9675711,"The antioxidative substances contained in cacao liquor, which is one of the major ingredients of chocolate, were separated by column chromatography and high-performance liquid chromatography. Three major compounds were purified and two of them were identified by 1H, 13C NMR and mass spectra as (-)-epicatechin (EC) and (+)-catechin (CA). Their antioxidative activity was measured by monitoring the peroxide value of linoleic acid and the thiobarbituric acid-reactive substance values of erythrocyte ghost membranes and microsomes. EC and CA had strong antioxidative effects in all three methods, but one unidentified peak was found to be less effective. Additionally, we analyzed the polyphenol concentration of cacao liquor extractions produced in several countries. The total polyphenol concentration was 7.0 to 13.0%, catechin concentration was 0.31 to 0.49%, and epicatechin concentration was 0.35 to 1.68% in the extractions. It is believed that chocolate is stable against oxidative deterioration on account of the presence of these polyphenolic compounds, and it is also expected to have a protective role against lipid peroxidation in living systems.",The antioxidative substances in cacao liquor.,"['Alcoholic Beverages', 'Animals', 'Antioxidants', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Erythrocyte Membrane', 'Flavonoids', 'Linoleic Acid', 'Lipid Peroxidation', 'Magnetic Resonance Spectroscopy', 'Mass Spectrometry', 'Microsomes, Liver', 'Oxidation-Reduction', 'Phenols', 'Polymers', 'Rats', 'Thiobarbituric Acid Reactive Substances']","['analysis', None, 'isolation & purification', None, 'chemistry', None, 'metabolism', None, 'metabolism', 'drug effects', None, None, 'metabolism', None, 'analysis', 'analysis', None, 'metabolism']",,cocoa,0.22448979591836735,"['epicatechin', 'peroxide', 'catechin', 'linoleic acid', '(+)-catechin', 'polyphenol', 'cacao liquor', 'CA', '(-)-epicatechin']",1,11
21698686,"The water-soluble protein profile of the seeds of green, red, and yellow Theobroma cacao L. fruits has been determined by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-ToF-MS). The seeds were powdered under liquid nitrogen and defatted. The residues were dialyzed and lyophilized. The obtained samples were suspended in the matrix solution of sinapinic acid. The obtained MALDI mass spectra showed the presence of a wide number of proteins with molecular weight ranging from 8000 to 13,000 Da and a cluster of peaks centered at 21,000 Da that were attributed to albumin. The abundance of this peak was found to depend on the different portion of the seed (husk, apical and cortical parts); however, the MALDI mass spectra obtained from the different varieties of cocoa were practically superimposable. Changes in the protein profiles were also observed after the cocoa seeds were treated by fermentation and roasting, which are processes usually employed for the commercial production of cocoa.",The protein profile of Theobroma cacao L. seeds as obtained by matrix-assisted laser desorption/ionization mass spectrometry.,"['Cacao', 'Coumaric Acids', 'Hot Temperature', 'Plant Extracts', 'Plant Proteins', 'Seeds', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization']","['chemistry', 'chemistry', None, 'chemistry', 'analysis', 'chemistry', 'methods']",,cocoa,0.045454545454545456,"['Theobroma cacao L. fruits', 'sinapinic acid']",1,2
19188605,"Chemical analyses of organic residues in fragments of ceramic vessels from Pueblo Bonito in Chaco Canyon, New Mexico, reveal theobromine, a biomarker for cacao. With an estimated 800 rooms, Pueblo Bonito is the largest archaeological site in Chaco Canyon and was the center of a large number of interconnected towns and villages spread over northwestern New Mexico. The cacao residues come from pieces of vessels that are likely cylinder jars, special containers occurring almost solely at Pueblo Bonito and deposited in caches at the site. This first known use of cacao drinks north of the Mexican border indicates exchange with cacao cultivators in Mesoamerica in a time frame of about A.D. 1000-1125. The association of cylinder jars and cacao beverages suggests that the Chacoan ritual involving the drinking of cacao was tied to Mesoamerican rituals incorporating cylindrical vases and cacao. The importance of Pueblo Bonito within the Chacoan world likely lies in part with the integration of Mesoamerican ritual, including critical culinary ingredients.",Evidence of cacao use in the Prehispanic American Southwest.,"['Archaeology', 'Beverages', 'Cacao', 'Cultural Characteristics', 'Geography', 'History, Medieval', 'Humans', 'Indians, North American', 'Mass Spectrometry', 'New Mexico', 'Paleopathology', 'Social Environment']","[None, None, 'chemistry', None, None, None, None, None, None, None, None, None]",0.0,cocoa,0.0784313725490196,"['theobromine', 'cacao drinks', 'cacao', 'cacao cultivators']",1,4
9829045,"The level of styrene migration from polystyrene cups was monitored in different food systems including: water, milk (0.5, 1.55 and 3.6% fat), cold beverages (apple juice, orange juice, carbonated water, cola, beer and chocolate drink), hot beverages (tea, coffee, chocolate and soup (0.0, 0.5, 1, 2, and 3.6% fat), take away foods (yogurt, jelly, pudding and ice-cream), as well as aqueous food simulants (3% acetic acid, 15, 50, and 100% ethanol) and olive oil. Styrene migration was found to be strongly dependent upon the fat content and storage temperature. Drinking water gave migration values considerably lower than all of the fatty foods. Ethanol at 15% showed a migration level equivalent to milk or soup containing 3.6% fat. Maximum observed migration for cold or hot beverages and take-away foods was 0.025% of the total styrene in the cup. Food simulants were responsible for higher migration (0.37% in 100% ethanol). A total of 60 food samples (yogurt, rice with milk, fromage, biogardes, and cheese) packed in polystyrene containers were collected from retail markets in Belgium, Germany, and the Netherlands. The level of styrene detected in the foods was always fat dependent.",Polystyrene cups and containers: styrene migration.,"['Beverages', 'Chromatography, High Pressure Liquid', 'Cooking and Eating Utensils', 'Dietary Fats', 'Food', 'Food Additives', 'Food Contamination', 'Food Packaging', 'Humans', 'Polystyrenes', 'Styrenes', 'Temperature']","[None, None, None, None, None, None, 'analysis', None, None, None, 'analysis', None]",,cocoa,0.136986301369863,"['ethanol', 'Styrene', 'fatty', 'Ethanol', 'styrene', 'acetic acid', 'aqueous food simulants']",1,10
28070080,"The temperature thawing, as called tempering, of triacylglycerols (TAGs) is an important processing method in food productions, such as chocolates, cream, confections, and spreads. Especially, melt-mediation by temperature thawing is famous in chocolate production for controlling the polymorphic crystalline forms and accelerating crystallization. In the present study, we investigated the _±-melt structure of 1,3-dipalmitoyl-2-oleoyl-sn-glycerol (POP), one of the major continuants of cacao butter, under a phase transition from its melt to __-crystal with in-situ attenuated total reflection-infrared (ATR-IR) spectroscopy. The differential IR spectrum between _±-melt via temperature thawing (_±-melt mediation) and melt via simple cooling revealed that crystal-like local ordered structures remained in part in the _±-melt, and that they acted as nuclei for a rapid phase transition to the __-crystal. The changes to the __-crystal occur in the local ordered structures at first from the glycerol moiety to the acyl chains in the crystallization, providing an important suggestion concerning the mechanism for the acceleration of crystallization to the __-form via _±-melt mediation.","_±-Melt Structure of 1,3-Dipalmitoyl-2-oleoyl-sn-glycerol (POP) under a Thermal Thawing Process Studied by Infrared Spectroscopy.","['Spectrophotometry, Infrared', 'Transition Temperature', 'Triglycerides']","[None, None, 'chemistry']",0.0,cocoa,0.14285714285714285,"['__', 'cream', 'glycerol', 'cacao butter', 'crystalline', 'chocolates', 'triacylglycerols', 'TAGs']",1,8
27613945,"Most electronic cigarettes (e-cigarettes) contain a solution of propylene glycol/glycerin and nicotine, as well as flavors. E-cigarettes and their associated e-liquids are available in numerous flavor varieties. A subset of the flavor varieties include coffee, tea, chocolate, and energy drink, which, in beverage form, are commonly recognized sources of caffeine. Recently, some manufacturers have begun marketing e-liquid products as energy enhancers that contain caffeine as an additive.","Caffeine Concentrations in Coffee, Tea, Chocolate, and Energy Drink Flavored E-liquids.","['Caffeine', 'Chocolate', 'Coffee', 'Electronic Nicotine Delivery Systems', 'Energy Drinks', 'Flavoring Agents', 'Gas Chromatography-Mass Spectrometry']","['analysis', 'analysis', 'chemistry', None, 'analysis', 'analysis', 'methods']",0.0,cocoa,0.16666666666666666,"['nicotine', 'caffeine', 'propylene glycol/glycerin']",1,4
7228254,"Average-sized portions of a variety of food products were reacted with nitrite under realistically simulated gastric conditions. The aqueous incubation medium contained sodium nitrite (10 mg/l) and potassium thiocyanate to mimic the incoming flux of saliva, as well as pepsin, sodium chloride and hydrochloric acid, reflecting the composition of gastric juice. After incubation for 2 hr at 37 degrees C, volatile N-nitrosamines and N-nitrosamino acids were determined in the reaction mixtures. Nitrosodimethylamine (NDMA) was present in the incubation mixtures of smoked mackerel (8.5 micrograms per portion), canned herring (0.66 micrograms per portion) and beer (0.70 micrograms per 'portion'). Smaller amounts per portion, sometimes of other nitrosamines as well, were observed with canned salmon and anchovy, mustard, yoghurt and coffee brew. Negative results were obtained for canned tuna, soya sauce, ketchup, white bread, 'nasi goreng', tea brew and cocoa milk. Nitrosamino acids were detected in the reaction mixtures of smoked mackerel (58 micrograms per portion), soya sauce (24 micrograms per portion) and canned salmon (6.9 micrograms per portion) and in smaller amounts in those of canned herring, anchovy and cocoa milk. In order to reduce the number of analyses to be performed, most products have been studied only after incubation, so that the nitrosamines and nitrosamino acids found may already have been present -- wholly or partly -- in the original products, before incubation. Such is the case for part of the NDMA in the reaction mixture of smoked mackerel and for all the NDMA in beer. The toxicological implications of these findings remain to be established.",Formation of N-nitrosamine and N-nitrosamino acids from food products and nitrite under simulated gastric conditions.,"['Amino Acids', 'Animals', 'Chemical Phenomena', 'Chemistry', 'Food', 'Food Handling', 'Gas Chromatography-Mass Spectrometry', 'Gastric Juice', 'Humans', 'Models, Biological', 'Nitrites', 'Nitrosamines']","[None, None, None, None, None, None, None, 'metabolism', None, None, None, None]",,cocoa,0.22077922077922077,"['sodium nitrite', 'pepsin', 'brew', 'volatile N-nitrosamines and N-nitrosamino acids', 'soya sauce', 'Nitrosodimethylamine', 'hydrochloric acid', 'cocoa milk', 'NDMA', 'Nitrosamino acids', 'potassium thiocyanate', 'nitrosamino acids', 'nitrite', 'sodium chloride']",1,17
2954991,"A high-performance liquid chromatographic (HPLC) method has been developed to allow the determination of patulin, penicillic acid, sterigmatocystin and zearalenone in samples of cocoa beans. When this method is combined with a method that was reported earlier for the determination of ochratoxin A [W. J. Hurst and R. A. Martin, Jr., J. Chromatogr., 265 (1983) 353], it allows for the determination of five mycotoxins. Samples were extracted with an acidic acetonitrile solution, partitioned with hexane to remove fat interferences and then partitioned with chloroform to remove the toxin containing fraction. Interferences were removed by the use of a bonded phase column followed by the final HPLC determination step, which uses a cyano column with a hexane-1-propanol-acetic acid mobile phase with dual channel UV detection at 245 and 280 nm. The method exhibits good linearity, accuracy and precision.","High-performance liquid chromatographic determination of the mycotoxins patulin, penicillic acid, zearalenone and sterigmatocystin in artificially contaminated cocoa beans.","['Cacao', 'Chromatography, High Pressure Liquid', 'Food Contamination', 'Mycotoxins', 'Patulin', 'Penicillic Acid', 'Plants, Edible', 'Spectrophotometry, Ultraviolet', 'Sterigmatocystin', 'Zearalenone']","['analysis', None, 'analysis', 'analysis', 'analysis', 'analysis', 'analysis', None, 'analysis', 'analysis']",,cocoa,0.1956521739130435,"['ochratoxin A', 'mycotoxins', 'chloroform', 'zearalenone', 'hexane', 'cyano', 'sterigmatocystin', 'patulin', 'hexane-1-propanol-acetic acid']",1,9
20627308,"An analytical method for the determination of US EPA priority pollutant 16 polycyclic aromatic hydrocarbons (PAHs) in edible oil was developed by an isotope dilution gas chromatography-mass spectrometry (GC-MS). Extraction was performed with ultrasonication mode using acetonitrile as solvent, and subsequent clean-up was applied using narrow gel permeation chromatographic column. Three deuterated PAHs surrogate standards were used as internal standards for quantification and analytical quality control. The limits of quantification (LOQs) were globally below 0.5 ng/g, the recoveries were in the range of 81-96%, and the relative standard deviations (RSDs) were lower than 20%. Further trueness assessment of the method was also verified through participation in international cocoa butter proficiency test (T0638) organised by the FAPAS with excellent results in 2008. The results obtained with the described method were satisfying (z ___ 2). The method has been applied to determine PAH in real edible oil samples.",Ultrasonication extraction and gel permeation chromatography clean-up for the determination of polycyclic aromatic hydrocarbons in edible oil by an isotope dilution gas chromatography___mass spectrometry.,"['Acetonitriles', 'Chromatography, Gel', 'Dietary Fats, Unsaturated', 'Fats, Unsaturated', 'Food Analysis', 'Gas Chromatography-Mass Spectrometry', 'Isotopes', 'Polycyclic Aromatic Hydrocarbons', 'Solid Phase Extraction', 'Ultrasonics']","[None, 'methods', 'analysis', 'chemistry', 'methods', 'methods', None, 'analysis', 'methods', 'methods']",2.0,cocoa,0.14583333333333334,"['EPA', 'PAHs', 'polycyclic aromatic hydrocarbons', 'RSDs', 'PAH', 'LOQs']",1,7
25794741,"An improved micellar electrokinetic capillary chromatography method (MEKC) for the simultaneous determination of ten preservatives in ten different kinds of food samples was reported. An uncoated fused-silica capillary with 50 __m i.d. and 70 cm total length was used. Under the optimized conditions, the linear response was observed in the range of 1.2-200mg/L for the analytes. The limits of detection (LOD, S/N=3) and limits of quantitation (LOQ, S/N=10) ranging from 0.4 to 0.5mg/L and 1.2 to 1.5mg/L, respectively were obtained. The method was used for the determination of sorbic and benzoic acids in two FAPAS_‰ (Food Analysis Performance Assessment Scheme) proficiency test samples (jam and chocolate cake). The results showed that the current method with simple sample pretreatment and small reagent consumption could meet the needs for routine analysis of the ten preservatives in ten types of food products.",Simultaneous determination of ten preservatives in ten kinds of foods by micellar electrokinetic chromatography.,"['Chromatography, Micellar Electrokinetic Capillary', 'Food Analysis', 'Preservatives, Pharmaceutical']","['methods', 'methods', 'pharmacology']",0.0,cocoa,0.05263157894736842,"['benzoic acids', 'sorbic']",1,2
17852509,"Fatty acid compositions of frequently consumed foods in Turkey were analyzed by capillary gas chromatography with particular emphasis on trans fatty acids. The survey was carried out on 134 samples that were categorized as meat products, chocolates, bakery products and others. The meat products except chicken-based foods have trans fatty acids, arising as a result of ruminant activity, with an average content of 1.45 g/100 g fatty acids. The conjugated linoleic acid content of meat and chicken doner kebabs were found higher than other meat products. Chocolate samples contained trans fatty acids less than 0.17 g/100 g fatty acids, with the exceptional national product of chocolate bars and hazelnut cocoa cream (2.03 and 3.68 g/100 g fatty acids, respectively). Bakery products have the highest trans fatty acid contents and ranged from 0.99 to 17.77 g/100 g fatty acids. The average trans fatty acid contents of infant formula and ice-cream, which are milk-based products, were 0.79 and 1.50 g/100 g fatty acids, respectively. Among the analyzed foods, it was found that coffee whitener and powdered whipped topping had the highest saturated fatty acid contents, with an average content of 98.71 g/100 g fatty acids.",Fatty acid composition of frequently consumed foods in Turkey with special emphasis on trans fatty acids.,"['Animals', 'Bread', 'Cacao', 'Cheese', 'Chromatography, Gas', 'Dairy Products', 'Fatty Acids', 'Feeding Behavior', 'Humans', 'Infant', 'Infant Food', 'Meat', 'Meat Products', 'Milk', 'Trans Fatty Acids', 'Turkey']","[None, 'analysis', 'chemistry', 'analysis', None, 'analysis', 'analysis', None, None, None, 'analysis', 'analysis', 'analysis', 'chemistry', 'analysis', None]",0.0,cocoa,0.32608695652173914,"['saturated fatty acid contents', 'hazelnut cocoa cream', 'fatty acids', 'conjugated linoleic acid', 'Fatty acid', 'fatty acid']",1,15
29243642,"In 2006, the French Food Safety Agency (AFSSA) conducted the Second French Total Diet Study (TDS) to estimate dietary exposures to the main minerals and trace elements from 1319 samples of foods typically consumed by the French population. The foodstuffs were analysed by inductively coupled plasma-mass spectrometry (ICP-MS) after microwave-assisted digestion. Occurrence data for lithium, chromium, manganese, cobalt, nickel, copper, zinc, selenium and molybdenum were reported and compared with results from the previous French TDS. The results indicate that the food groups presenting the highest levels of these essential trace elements were ""tofu"" (for Li, Mn, Ni, Cu, Zn and Mo),""fish and fish products"" particularly ""shellfish"" (for Li, Co, Cu, Zn, Se and Mo), ""sweeteners, honey and confectionery"" particularly dark chocolate (for Cr, Mn, Co, Ni and Cu), ""cereals and cereal products"" (for Mn, Ni and Mo) and ""ice cream"" (for Cr, Co and Ni).","Li, Cr, Mn, Co, Ni, Cu, Zn, Se and Mo levels in foodstuffs from the Second French TDS.",[],[],0.0,cocoa,0.36923076923076925,"['molybdenum', 'cream', 'copper', 'Ni', 'nickel', 'manganese', 'Mo', 'Mn', 'Li', 'cobalt', 'chromium', 'lithium', 'selenium', 'Se', 'Cu', 'Zn', 'zinc']",1,24
18458064,"Otitis media caused by nontypeable Haemophilus influenzae (NTHi) is a common and recurrent bacterial infection of childhood. The structural variability and diversity of H. influenzae lipopolysaccharide (LPS) glycoforms are known to play a significant role in the commensal and disease-causing behavior of this pathogen. In this study, we determined LPS glycoform populations from NTHi strain 1003 during the course of experimental otitis media in the chinchilla model of infection by mass spectrometric techniques. Building on an established structural model of the major LPS glycoforms expressed by this NTHi strain in vitro (M. M_nsson, W. Hood, J. Li, J. C. Richards, E. R. Moxon, and E. K. Schweda, Eur. J. Biochem. 269:808-818, 2002), minor isomeric glycoform populations were determined by liquid chromatography multiple-step tandem electrospray mass spectrometry (LC-ESI-MS(n)). Using capillary electrophoresis ESI-MS (CE-ESI-MS), we determined glycoform profiles for bacteria from direct middle ear fluid (MEF) samples. The LPS glycan profiles were essentially the same when the MEF samples of 7 of 10 animals were passaged on solid medium (chocolate agar). LC-ESI-MS(n) provided a sensitive method for determining the isomeric distribution of LPS glycoforms in MEF and passaged specimens. To investigate changes in LPS glycoform distribution during the course of infection, MEF samples were analyzed at 2, 5, and 9 days postinfection by CE-ESI-MS following minimal passage on chocolate agar. As previously observed, sialic acid-containing glycoforms were detected during the early stages of infection, but a trend toward more-truncated and less-complex LPS glycoforms that lacked sialic acid was found as disease progressed.",Application of capillary electrophoresis mass spectrometry and liquid chromatography multiple-step tandem electrospray mass spectrometry to profile glycoform expression during Haemophilus influenzae pathogenesis in the chinchilla model of experimental otitis media.,"['Animals', 'Chinchilla', 'Chromatography, Liquid', 'Disease Models, Animal', 'Electrophoresis, Capillary', 'Haemophilus Infections', 'Haemophilus influenzae', 'Humans', 'Isomerism', 'Lipopolysaccharides', 'Otitis Media', 'Otitis Media with Effusion', 'Spectrometry, Mass, Electrospray Ionization']","[None, None, 'methods', None, 'methods', 'microbiology', 'metabolism', None, None, 'chemistry', 'microbiology', 'microbiology', 'methods']",0.0,cocoa,0.058823529411764705,"['sialic acid', 'lipopolysaccharide', 'LPS', 'sialic acid-containing', 'Li']",1,5
19489609,"Oxidative stress enhances pathological processes contributing to cancer, cardiovascular disease, and neurodegenerative diseases, and dietary antioxidants may counteract these deleterious processes. Because rapid methods to evaluate and compare food products for antioxidant benefits are needed, a new assay based on liquid chromatography-mass spectrometry (LC-MS) was developed for the identification and quantitative analysis of antioxidants in complex natural product samples such as food extracts. This assay is based on the comparison of electrospray LC-MS profiles of sample extracts before and after treatment with reactive oxygen species such as hydrogen peroxide or 2,2-diphenyl-1-picrylhydrazyl radical (DPPH). Using this assay, methanolic extracts of cocoa powder were analyzed, and procyanidins were found to be the most potent antioxidant species. These species were identified using LC-MS, LC-MS/MS, accurate mass measurement, and comparison with reference standards. Furthermore, LC-MS was used to determine the levels of these species in cocoa samples. Catechin and epicatechin were the most abundant antioxidants followed by their dimers and trimers. The most potent antioxidants in cocoa were trimers and dimers of catechin and epicatechin, such as procyanidin B2, followed by catechin and epicatechin. This new LC-MS assay facilitates the rapid identification and then the determination of the relative antioxidant activities of individual antioxidant species in complex natural product samples and food products such as cocoa.",Screening antioxidants using LC-MS: case study with cocoa.,"['Antioxidants', 'Biphenyl Compounds', 'Cacao', 'Catechin', 'Chromatography, Liquid', 'Hydrogen Peroxide', 'Mass Spectrometry', 'Oxidation-Reduction', 'Picrates', 'Proanthocyanidins', 'Spectrometry, Mass, Electrospray Ionization']","['analysis', 'chemistry', 'chemistry', 'analysis', None, 'chemistry', None, None, 'chemistry', 'analysis', None]",2.0,cocoa,0.14285714285714285,"['epicatechin', 'procyanidin B2', '2,2-diphenyl-1-picrylhydrazyl', 'hydrogen peroxide', 'oxygen', 'Catechin', 'catechin', 'procyanidins']",1,11
17955976,"A collaborative trial was conducted to validate an analytical approach comprising method procedures for determination of milk fat and the detection and quantification of cocoa butter equivalents (CBEs) in milk chocolate. The whole approach is based on (1) comprehensive databases covering the triacylglycerol composition of a wide range of authentic milk fat, cocoa butter, and CBE samples and 947 gravimetrically prepared mixtures thereof; (2) the availability of a certified cocoa butter reference material for calibration; (3) an evaluation algorithm, which allows reliable quantitation of the milk fat content in chocolate; (4) a subsequent correction to take account of the triacylglycerols derived from milk fat; (5) mathematical expressions to detect the presence of CBEs in milk chocolate; and (6) a multivariate statistical formula to quantitate the amount of CBEs in milk chocolate. Twelve laboratories participated in the validation study. CBE admixtures were detected down to a level of 0.5 g CBE/100 g milk chocolate, without false-positive or -negative results. The applied quantitation model performed well at the statutory limit of 5% CBE addition to milk chocolate, with a prediction error of 0.7%, and HorRat values ranging from 0.8 to 1.5. The relative standard deviation for reproducibility (RSDR) values for quantitation of CBEs in analyses of chocolate fat solutions ranged from 2.2 to 3.8% and for analyses of real chocolate samples, from 4.1 to 4.7%, demonstrating that the whole approach, based solely on chocolate fat blends, is applicable to real milk chocolate samples.",Gas-liquid chromatographic determination of milk fat and cocoa butter equivalents in milk chocolate: interlaboratory study.,"['Animals', 'Cacao', 'Calibration', 'Chemistry Techniques, Analytical', 'Chromatography, Gas', 'Chromatography, Liquid', 'Dietary Fats', 'Fats', 'Food Analysis', 'Gravitation', 'Milk', 'Models, Theoretical', 'Reproducibility of Results', 'Triglycerides']","[None, 'chemistry', None, 'methods', 'methods', 'methods', 'metabolism', 'metabolism', 'methods', None, 'metabolism', None, None, 'analysis']",,cocoa,0.04225352112676056,"['triacylglycerols', 'cocoa butter equivalents', 'triacylglycerol']",1,3
17899033,"A liquid chromatography-electrospray-tandem mass spectrometry (LC-ESI-MS-MS) method based on the detection of biomarker peptides from allergenic proteins was devised for confirming and quantifying peanut allergens in foods. Peptides obtained from tryptic digestion of Ara h 2 and Ara h 3/4 proteins were identified and characterized by LC-MS and LC-MS-MS with a quadrupole-time of flight mass analyzer. Four peptides were chosen and investigated as biomarkers taking into account their selectivity, the absence of missed cleavages, the uniform distribution in the Ara h 2 and Ara h 3/4 protein isoforms together with their spectral features under ESI-MS-MS conditions, and good repeatability of LC retention time. Because of the different expression levels, the selection of two different allergenic proteins was proved to be useful in the identification and univocal confirmation of the presence of peanuts in foodstuffs. Using rice crisp and chocolate-based snacks as model food matrix, an LC-MS-MS method with triple quadrupole mass analyzer allowed good detection limits to be obtained for Ara h 2 (5 microg protein g(-1) matrix) and Ara h 3/4 (1 microg protein g(-1) matrix). Linearity of the method was established in the 10-200 microg g(-1) range of peanut proteins in the food matrix investigated. Method selectivity was demonstrated by analyzing tree nuts (almonds, pecan nuts, hazelnuts, walnuts) and food ingredients such as milk, soy beans, chocolate, cornflakes, and rice crisp.",Use of specific peptide biomarkers for quantitative confirmation of hidden allergenic peanut proteins Ara h 2 and Ara h 3/4 for food control by liquid chromatography-tandem mass spectrometry.,"['2S Albumins, Plant', 'Allergens', 'Antigens, Plant', 'Biomarkers', 'Chromatography, Liquid', 'Food Analysis', 'Glycoproteins', 'Peptide Fragments', 'Plant Proteins', 'Protein Isoforms', 'Seed Storage Proteins', 'Tandem Mass Spectrometry', 'Time Factors']","[None, 'analysis', None, 'analysis', 'methods', 'methods', 'analysis', 'analysis', 'analysis', 'analysis', None, 'methods', None]",0.0,cocoa,0.012658227848101266,"['pecan nuts, hazelnuts, walnuts']",1,1
24574140,"Although proanthocyanidins (PACs) modify dentin, the effectiveness of different PAC sources and the correlation with their specific chemical composition are still unknown. This study describes the chemical profiling of natural PAC-rich extracts from 7 plants using ultra high pressure/performance liquid chromatography (UHPLC) to determine the overall composition of these extracts and, in parallel, comprehensively evaluate their effect on dentin properties. The total polyphenol content of the extracts was determined (as gallic acid equivalents) using Folin-Ciocalteau assays. Dentin biomodification was assessed by the modulus of elasticity, mass change, and resistance to enzymatic biodegradation. Extracts with a high polyphenol and PAC content from Vitis vinifera, Theobroma cacao, Camellia sinensis, and Pinus massoniana induced a significant increase in modulus of elasticity and mass. The UHPLC analysis showed the presence of multiple types of polyphenols, ranging from simple phenolic acids to oligomeric PACs and highly condensed tannins. Protective effect against enzymatic degradation was observed for all experimental groups; however, statistically significant differences were observed between plant extracts. The findings provide clear evidence that the dentin bioactivities of PACs are source dependent, resulting from a combination of concentration and specific chemical constitution of the complex PAC mixtures. ",Dentin biomodification potential depends on polyphenol source.,"['Antioxidants', 'Arecaceae', 'Cacao', 'Camellia sinensis', 'Chromatography, High Pressure Liquid', 'Cinnamomum aromaticum', 'Cinnamomum zeylanicum', 'Collagenases', 'Dentin', 'Elastic Modulus', 'Gallic Acid', 'Grape Seed Extract', 'Humans', 'Pinus', 'Plant Bark', 'Plant Extracts', 'Polyphenols', 'Proanthocyanidins', 'Protective Agents', 'Seeds', 'Tea', 'Vitis']","['pharmacology', 'chemistry', 'chemistry', 'chemistry', None, 'chemistry', 'chemistry', 'pharmacology', 'anatomy & histology', None, 'analysis', 'pharmacology', None, 'chemistry', 'chemistry', 'analysis', 'analysis', 'analysis', 'pharmacology', 'chemistry', 'chemistry', 'chemistry']",0.0,cocoa,0.16216216216216217,"['polyphenols', 'tannins', 'gallic acid equivalents', 'Theobroma cacao', 'polyphenol', 'Camellia', 'acids', 'PAC', 'proanthocyanidins']",1,12
1874696,"Jute fibers are treated with about 5-7% of a high boiling mineral oil fraction (""batching oil"") to render them flexible for making fabrics. Foods transported in jute bags are contaminated by this batching oil. A method involving automated on-line LC-GC is described for determining these hydrocarbons in various foods. Complete transfer of the LC fraction to GC is presupposed for obtaining the required sensitivity. Results are given for nuts, coffee, cocoa products, and rice. Contamination ranged between about 5 and 500 ppm.",Determination of food contamination by mineral oil from jute sacks using coupled LC-GC.,"['Cacao', 'Chromatography, Gas', 'Chromatography, Liquid', 'Coffee', 'Food Contamination', 'Mineral Oil', 'Nuts', 'Oryza']","['analysis', None, None, 'analysis', 'analysis', 'analysis', 'analysis', 'analysis']",,cocoa,0.03571428571428571,"['nuts, coffee, cocoa products,']",1,1
23022488,"The hemibiotrophic basidiomycete fungus Moniliophthora perniciosa, the causal agent of Witches' broom disease (WBD) in cacao, is able to grow on methanol as the sole carbon source. In plants, one of the main sources of methanol is the pectin present in the structure of cell walls. Pectin is composed of highly methylesterified chains of galacturonic acid. The hydrolysis between the methyl radicals and galacturonic acid in esterified pectin, mediated by a pectin methylesterase (PME), releases methanol, which may be decomposed by a methanol oxidase (MOX). The analysis of the M. pernciosa genome revealed putative mox and pme genes. Real-time quantitative RT-PCR performed with RNA from mycelia grown in the presence of methanol or pectin as the sole carbon source and with RNA from infected cacao seedlings in different stages of the progression of WBD indicate that the two genes are coregulated, suggesting that the fungus may be metabolizing the methanol released from pectin. Moreover, immunolocalization of homogalacturonan, the main pectic domain that constitutes the primary cell wall matrix, shows a reduction in the level of pectin methyl esterification in infected cacao seedlings. Although MOX has been classically classified as a peroxisomal enzyme, M. perniciosa presents an extracellular methanol oxidase. Its activity was detected in the fungus culture supernatants, and mass spectrometry analysis indicated the presence of this enzyme in the fungus secretome. Because M. pernciosa possesses all genes classically related to methanol metabolism, we propose a peroxisome-independent model for the utilization of methanol by this fungus, which begins with the extracellular oxidation of methanol derived from the demethylation of pectin and finishes in the cytosol.",A potential role for an extracellular methanol oxidase secreted by Moniliophthora perniciosa in Witches' broom disease in cacao.,"['Agaricales', 'Alcohol Oxidoreductases', 'Amino Acid Sequence', 'Cacao', 'Extracellular Space', 'Fungal Proteins', 'Gene Expression Regulation, Fungal', 'Methanol', 'Molecular Sequence Data', 'Pectins', 'Plant Diseases', 'Protein Transport', 'Sequence Alignment']","['enzymology', 'chemistry', None, 'microbiology', 'enzymology', 'chemistry', None, 'metabolism', None, 'metabolism', 'microbiology', None, None]",0.0,cocoa,0.3111111111111111,"['PME', 'pectin methyl esterification', 'Pectin', 'pectin methylesterase', 'galacturonic acid', ""Witches' broom disease"", 'methanol', 'cacao', 'pectin', 'esterified pectin', 'carbon', 'pectic', 'MOX']",1,28
19750020,"In this study, 162 samples were analysed for monomer styrene content with using high performance liquid chromatography (HPLC) method in hot tea, milk, cocoa milk. The monomer styrene content, expressed in microg/l of drink and the level of migration of styrene monomer were varied from 0.61 to 8.15 for hot tea, from 0.65 to 8.30 for hot milk, from 0.71 to 8.65 for hot cocoa milk in GPPS (general purpose polystyrene), from 0.48 to 6.85 for hot tea, from 0.61 to 7.65 for hot milk, from 0.72 to 7.78 for hot cocoa milk in HIPS (high performance polystyrene) cups in different temperatures and times. The estimated limit of detection of (HPLC) method for all samples was 0.001 mg/kg. There is linear regression for styrene monomer from 1 to 10 ng/ml. Several samples spiked with a known amount of styrene monomer. The results of the recovery in study for styrene monomer were determinate to be mean, 96.1 +/- 1.92 to 99.7 +/- 1.15%. The results of this study indicate that styrene monomer from polystyrene disposable into hot and fat drinks was migrated and this migration was highly dependent on fat content and temperature of drinks. The derived concentration of styrene monomer in this study was above the EPA (Environmental protection agency) recommended level, especially in MCLG (Maximum contaminant level goal) standard. More study is needed to further elucidate this finding.",Determination of migration monomer styrene from GPPS (general purpose polystyrene) and HIPS (high impact polystyrene) cups to hot drinks.,"['Beverages', 'Chromatography, Gas', 'Chromatography, High Pressure Liquid', 'Equipment and Supplies', 'Food Contamination', 'Hot Temperature', 'Polystyrenes', 'Spectrophotometry, Ultraviolet']","['analysis', None, None, None, None, None, 'analysis', None]",,cocoa,0.17567567567567569,"['EPA', 'GPPS', 'cocoa milk', 'MCLG', 'styrene']",1,13
3680113,"Vitamin D in different fortified foods is determined by using liquid chromatography (LC). Sample preparation is described for fortified skim milk, infant formulas, chocolate drink powder, and diet food. The procedure involves 2 main steps: saponification of the sample followed by extraction, and quantitation by LC analysis. Depending on the sample matrix, additional steps are necessary, i.e., enzymatic digestion for hydrolyzing the starch in the sample and cartridge purification before LC injection. An isocratic system consisting of 0.5% water in methanol (v/v) on two 5 microns ODS Hypersil, 12 X 0.4 cm id columns is used. Recovery of vitamin D added to unfortified skim milk is 98%. The results of vitamin D determination in homogenized skim milk, fortified milk powder, fortified milk powder with soybean, chocolate drink powder, and sports diet food are given.",Sample preparation and liquid chromatographic determination of vitamin D in food products.,"['Animals', 'Cacao', 'Chromatography, Liquid', 'Edible Grain', 'Food Analysis', 'Food, Formulated', 'Indicators and Reagents', 'Infant Food', 'Milk', 'Spectrophotometry, Ultraviolet', 'Vitamin D']","[None, 'analysis', None, 'analysis', None, 'analysis', None, 'analysis', 'analysis', None, 'analysis']",,cocoa,0.13333333333333333,"['Vitamin D', '5 microns ODS', 'fortified', 'vitamin D', 'methanol']",1,6
12124611,"The Maya archaeological site at Colha in northern Belize, Central America, has yielded several spouted ceramic vessels that contain residues from the preparation of food and beverages. Here we analyse dry residue samples by using high-performance liquid chromatography coupled to atmospheric-pressure chemical-ionization mass spectrometry, and show that chocolate (Theobroma cacao) was consumed by the Preclassic Maya as early as 600 bc, pushing back the earliest chemical evidence of cacao use by some 1,000 years. Our application of this new and highly sensitive analytical technique could be extended to the identification of other ancient foods and beverages.",Cacao usage by the earliest Maya civilization.,"['Archaeology', 'Belize', 'Beverages', 'Cacao', 'Ceramics', 'Chromatography, High Pressure Liquid', 'History, Ancient', 'Mass Spectrometry', 'Theobromine']","['methods', None, 'history', 'chemistry', 'history', None, None, None, 'analysis']",,cocoa,0.07142857142857142,"['Theobroma cacao', 'cacao']",1,2
9410091,"The quality of three vegetable fats (cocoa butter and two commercial fats) and three roasted nut oils (almond, hazelnut and peanut) used as raw material in the chocolate products manufacturing was studied. The hydroperoxide content, oxidative stability and fatty acid composition were determined and its health repercussion by atherogenicity and thrombogenicity indexes. Two commercial fats and cocoa butter showed higher oxidative stability, atherogenic and thrombogenic properties than oils because of its different fatty acid profiles. Peroxide value was a low reliability parameter of raw material shelf live. Rancimat presented a good correlation with the unsaturation index of different fats and oils, it was a better index than peroxide value. In the chocolate products manufacturing it would be advisable a good raw material selection and formulation in order to get a balance between technological properties, organoleptic qualities and the influence on the health. Those raw material with less primary oxidation and higher oxidative stability were also those of higher atherogenicity and thrombogenicity indexes.",[Physico-chemical characteristics of different types of vegetable fats and oils used in the manufacture of candies].,"['Analysis of Variance', 'Candy', 'Chromatography', 'Dietary Fats', 'Dietary Fats, Unsaturated', 'Fats, Unsaturated', 'Fatty Acids', 'Models, Theoretical', 'Peroxides', 'Plant Oils']","[None, 'analysis', None, 'adverse effects', 'adverse effects', 'adverse effects', 'adverse effects', None, 'analysis', 'adverse effects']",,cocoa,0.14035087719298245,"['hydroperoxide', 'cocoa butter', 'peroxide', 'roasted nut oils', 'Peroxide', 'almond, hazelnut and peanut', 'fatty acid']",1,8
29389646,"Chocolate is a popular food bearing a number of different classifications that are differentiated by proportions of cocoa solids, milk and cocoa butter. Literature brings evidence that chocolates with a high percentage of cocoa solids contribute to good health maintenance due to the presence of phenolic compounds. On the other hand, it is known that the productive process, including pre-processing, may influence the level of these substances in the finished product. Thus, accurate strategies to measure the levels of this class of molecules that can be highly adaptable throughout the manufacturing process are important to ensure high-quality products. Mass spectrometry is an analytical tool of high sensitivity and specificity that is leading the research in food analysis towards new directions. By using mass spectrometry imaging in direct food analysis, this contribution developed an effective methodology for comparatively establishing the levels of catechin/epicatechin as phenolics content markers for cocoa content in a series of commercial chocolates from a single manufacturer, rendering a versatile tool that can be applied in fast screening of cocoa content in finished products and during manufacturing.",A fast semi-quantitative screening for cocoa content in chocolates using MALDI-MSI.,[],[],0.0,cocoa,0.04918032786885246,"['cocoa solids', 'cocoa']",1,3
15493674,"A European interlaboratory study was conducted to validate an analytical procedure for the detection and quantification of cocoa butter equivalents in cocoa butter and plain chocolate. In principle, the fat obtained from plain chocolate according to the Soxhlet principle is separated by high-resolution capillary gas chromatography into triacylglycerol fractions according to their acyl-C-numbers, and within a given number, also according to unsaturation. The presence of cocoa butter equivalents is detected by linear regression analysis applied to the relative proportions of the 3 main triacylglycerol fractions of the fat analyzed. The amount of the cocoa butter equivalent admixture is estimated by partial least-squares regression analysis applied to the relative proportions of the 5 main triacylglycerols. Cocoa butter equivalent admixtures were detected down to a level of 2% related to the fat phase, corresponding to 0.6% in chocolate (assumed fat content of chocolate, 30%), without false-positive or -negative results. By using a quantification model based on partial least-squares regression analysis, the predicted cocoa butter equivalent amounts were in close agreement with the actual values. The applied model performed well at the level of the statutory limit of 5% cocoa butter equivalent addition to chocolate with a prediction error of 0.6%, assuming a chocolate fat content of 30%.",Method validation for detection and quantification of cocoa butter equivalents in cocoa butter and plain chocolate.,"['Cacao', 'Chromatography, Gas', 'Dietary Fats', 'Triglycerides']","['chemistry', None, 'analysis', 'analysis']",,cocoa,0.15254237288135594,"['Cocoa butter', 'cocoa butter', 'cocoa butter equivalents', 'triacylglycerol', 'triacylglycerols']",1,9
27622657,"According to European legislation, tobacco additives may not increase the toxicity or the addictive potency of the product, but there is an ongoing debate on how to reliably characterize and measure such properties. Further, too little is known on pyrolysis patterns of tobacco additives to assume that no additional toxicological risks need to be suspected. An on-line pyrolysis technique was used and coupled to gas chromatography-mass spectrometry (GC/MS) to identify the pattern of chemical species formed upon thermal decomposition of 19 different tobacco additives like raw cane sugar, licorice or cocoa. To simulate the combustion of a cigarette it was necessary to perform pyrolysis at inert conditions as well as under oxygen supply. All individual additives were pyrolyzed under inert or oxidative conditions at 350, 700 and 1000_C, respectively, and the formation of different toxicants was monitored. We observed the generation of vinyl acrylate, fumaronitrile, methacrylic anhydride, isobutyric anhydride and 3-buten-2-ol exclusively during pyrolysis of tobacco additives. According to the literature, these toxicants so far remained undetectable in tobacco or tobacco smoke. Further, the formation of 20 selected polycyclic aromatic hydrocarbons (PAHs) with molecular weights of up to 278Da was monitored during pyrolysis of cocoa in a semi-quantitative approach. It was shown that the adding of cocoa to tobacco had no influence on the relative amounts of the PAHs formed.",Oxidative and inert pyrolysis on-line coupled to gas chromatography with mass spectrometric detection: On the pyrolysis products of tobacco additives.,"['Acer', 'Chocolate', 'Coffee', 'Consumer Product Safety', 'Flavoring Agents', 'Fruit and Vegetable Juices', 'Gas Chromatography-Mass Spectrometry', 'Glycyrrhiza', 'Honey', 'Hot Temperature', 'Organic Chemicals', 'Plant Extracts', 'Plant Gums', 'Plant Roots', 'Prunus domestica', 'Saccharum', 'Starch', 'Tobacco']","[None, None, None, None, None, None, None, None, None, None, 'analysis', None, None, None, None, None, None, None]",0.0,cocoa,0.12698412698412698,"['cocoa', 'PAHs', 'polycyclic aromatic hydrocarbons', 'vinyl acrylate', 'isobutyric anhydride', 'oxygen', 'methacrylic anhydride']",1,8
28064480,"Milk powder is an important ingredient in the confectionery industry, but its variable nature has consequences for the quality of the final confectionary product. This paper demonstrates that skim milk powders (SMP) produced using different (but typical) manufacturing processes, when used as ingredients in the manufacture of model white chocolates, had a significant impact on the sensory and volatile profiles of the chocolate. SMP was produced from raw bovine milk using either low or high heat treatment, and a model white chocolate was prepared from each SMP. A directional discrimination test with nave panelists showed that the chocolate prepared from the high heat SMP had more caramel/fudge character (p < 0.0001), and sensory profiling with an expert panel showed an increase in both fudge (p < 0.05) and condensed milk (p < 0.05) flavor. Gas chromatography (GC)-mass spectrometry and GC-olfactometry of both the SMPs and the model chocolates showed a concomitant increase in Maillard-derived volatiles which are likely to account for this change in flavor.",Impact of the Skim Milk Powder Manufacturing Process on the Flavor of Model White Chocolate.,"['Animals', 'Chocolate', 'Food Analysis', 'Food Handling', 'Gas Chromatography-Mass Spectrometry', 'Humans', 'Milk', 'Odorants', 'Olfactometry', 'Powders', 'Taste', 'Volatile Organic Compounds']","[None, 'analysis', 'methods', 'methods', None, None, 'chemistry', 'analysis', 'methods', 'chemistry', None, 'analysis']",0.0,cocoa,0.09803921568627451,"['na\x90\x8fve', 'SMP']",1,5
24444418,"There is a growing interest in studying the nutritional effects of complex diets. For such studies, measurement of dietary compliance is a challenge because the currently available compliance markers cover only limited aspects of a diet. In the present study, an untargeted metabolomics approach was used to develop a compliance measure in urine to distinguish between two dietary patterns. A parallel intervention study was carried out in which 181 participants were randomized to follow either a New Nordic Diet (NND) or an Average Danish Diet (ADD) for 6 months. Dietary intakes were closely monitored over the whole study period, and 24 h urine samples as well as weighed dietary records were collected several times during the study. The urine samples were analyzed by UPLC-qTOF-MS, and a partial least-squares discriminant analysis with feature selection was applied to develop a compliance model based on data from 214 urine samples. The optimized model included 52 metabolites and had a misclassification rate of 19% in a validation set containing 139 samples. The metabolites identified in the model were markers of individual foods such as citrus, cocoa-containing products, and fish as well as more general dietary traits such as high fruit and vegetable intake or high intake of heat-treated foods. It was easier to classify the ADD diet than the NND diet probably due to seasonal variation in the food composition of NND and indications of lower compliance among the NND subjects. In conclusion, untargeted metabolomics is a promising approach to develop compliance measures that cover the most important discriminant metabolites of complex diets. ",Untargeted metabolomics as a screening tool for estimating compliance to a dietary pattern.,"['Adolescent', 'Adult', 'Aged', 'Citrus', 'Cooperative Behavior', 'Diet', 'Feeding Behavior', 'Female', 'Fish Products', 'Fruit', 'Humans', 'Male', 'Metabolomics', 'Middle Aged', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization', 'Urinalysis', 'Vegetables']","[None, None, None, 'chemistry', None, 'methods', 'psychology', None, 'utilization', 'chemistry', None, None, 'instrumentation', None, 'methods', None, 'chemistry']",0.0,cocoa,0.02702702702702703,['ADD'],1,2
10554262,"The antioxidant components of cacao liquor, which is a major ingredient of chocolate, were isolated with column chromatography and high-performance liquid chromatography. Quercetin and its glucoside were identified by spectrometric methods. Clovamide and deoxyclovamide were characterized by (1)H and (13)C NMR and MS spectrometry. Their antioxidative activity was measured by peroxide value of linoleic acid and thiobarbituric acid reactive-substance value of erythrocyte ghost membranes and microsomes. In the bulk oil system, clovamide had the strongest antioxidative activity but was less active in the other experiments. In the case of the two hydrophilic systems, flavans such as quercetin and epicatechin were more potently effective than the glucosides. It is considered that chocolate is stable against oxidative deterioration due to the presence of these polyphenolic compounds.",Antioxidative Polyphenols Isolated from Theobroma cacao.,[],[],0.0,cocoa,0.225,"['thiobarbituric acid', 'epicatechin', 'glucoside', 'peroxide', '(13)C', 'linoleic acid', 'Clovamide', 'cacao liquor', 'quercetin']",1,9
16365716,"Volatiles from chocolate mediate upwind flight behavior in Ephestia cautella and Plodia interpunctella. We used gas chromatography with electroantennographic detection and found 12 active compounds derived from three different chocolate types, i.e., plain, nut-containing, and rum-flavored. Eight of the compounds were identified with mass spectrometry, and the activity of three compounds, ethyl vanillin, nonanal, and phenylacetaldehyde (PAA), was subsequently confirmed in both electrophysiological and behavioral assays. In the electroantennogram experiment, PAA and nonanal were consistently eliciting responses in both species and sexes. Ethyl vanillin was active in males of both species, and also in P. interpunctella females. E. cautella females showed no antennal activity in response to ethyl vanillin. All three volatiles were attractive to E. cautella males and P. interpunctella females in a flight tunnel. E. cautella females were significantly attracted only to ethyl vanillin. P. interpunctella males were attracted to PAA. Ethyl vanillin is a novel insect attractant, whereas both nonanal and phenylacetaldehyde mediate behavior in many insect species. A final experiment revealed that a blend of the three volatiles was required to induce landing in the flight tunnel bioassay, and that the landing rate was dependent on dose. The three-component blend attracted both sexes of P. interpunctella and females of E. cautella, whereas E. cautella males were not attracted.",Electrophysiological and behavioral responses to chocolate volatiles in both sexes of the pyralid moths Ephestia cautella and Plodia interpunctella.,"['Animals', 'Behavior, Animal', 'Cacao', 'Chromatography, Gas', 'Electrophysiology', 'Female', 'Male', 'Moths', 'Volatilization']","[None, None, None, None, None, None, None, 'physiology', None]",0.0,cocoa,0.11392405063291139,"['ethyl vanillin', 'PAA', 'Ethyl vanillin', 'phenylacetaldehyde', 'nonanal']",1,9
10725135,"The present work analyzes the lipid fraction from seeds of wild Ecuadorian Theobroma subincanum and selected commercial varieties of Theobroma cacao from Mexico (var. Criollo) and Ecuador (var. Arriba). The lipid fraction was obtained from the seeds through supercritical fluid extraction and analysis performed by preparatory thin-layer chromatography followed by gas chromatography. The results revealed that in T. subincanum the triglycerides contain fatty acids with longer chains. The melting point and peroxide and saponifiable numbers were determined for each Theobroma sample. The results lead to the conclusion that T. subincanum would produce a poorer quality butter than T. cacao. Nevertheless, the results do point toward a significant commercial use of T. subincanum for low-profile products.",Lipid composition of wild ecuadorian Theobroma subincanum Mart. seeds and comparison with two varieties of Theobroma cacao L.,"['Cacao', 'Ecuador', 'Humans', 'Lipids', 'Malvaceae', 'Mexico', 'Plant Extracts', 'Seeds']","['chemistry', None, None, 'analysis', 'chemistry', None, 'analysis', 'chemistry']",2.0,cocoa,0.14705882352941177,"['saponifiable', 'peroxide', 'fatty acids', 'Theobroma cacao', 'triglycerides']",1,5
6521612,"A method for the quantitative analysis of triglyceride species composition of vegetable oils by reversed-phase high performance liquid chromatography (RP-HPLC) via a flame ionization detector (FID) is described. Triglycerides are separated into molecular species via Zorbax chemically bonded octadecylsilane (ODS) columns using gradient elution with methylene chloride in acetonitrile. Identification of species is made by matching the retention times of the peaks in the chromatogram with the order of elution of all of the species that could be present in the sample on the basis of a random distribution of the fatty acids and comparison of experimental and calculated theoretical carbon numbers (TCN). Quantitative analysis is based on a direct proportionality of peak areas. Differences in the response of individual species were small and did not dictate the use of response factors. The method is applied to cocoa butter before and after randomization, soybean oil and pure olive oil.",Quantitative analysis of triglyceride species of vegetable oils by high performance liquid chromatography via a flame ionization detector.,"['Chromatography, High Pressure Liquid', 'Oils', 'Triglycerides', 'Vegetables']","['methods', 'analysis', 'analysis', 'analysis']",,cocoa,0.22448979591836735,"['cocoa butter', 'methylene chloride', 'ODS', 'fatty acids', 'FID', 'triglyceride', 'Triglycerides', 'vegetable oils', 'octadecylsilane', 'carbon', 'TCN']",1,11
10820090,"Catechins, compounds that belong to the flavonoid class, are potentially beneficial to human health. To enable an epidemiological evaluation of catechins, data on their contents in foods are required. HPLC with UV and fluorescence detection was used to determine the levels of (+)-catechin, (-)-epicatechin, (+)-gallocatechin (GC), (-)-epigallocatechin (EGC), (-)-epicatechin gallate (ECg), and (-)-epigallocatechin gallate (EGCg) in 8 types of black tea, 18 types of red and white wines, apple juice, grape juice, iced tea, beer, chocolate milk, and coffee. Tea infusions contained high levels of catechins (102-418 mg of total catechins/L), and tea was the only beverage that contained GC, EGC, ECg, and EGCg in addition to (+)-catechin and (-)-epicatechin. Catechin concentrations were still substantial in red wine (27-96 mg/L), but low to negligible amounts were found in white wine, commercially available fruit juices, iced tea, and chocolate milk. Catechins were absent from beer and coffee. The data reported here provide a base for the epidemiological evaluation of the effect of catechins on the risk for chronic diseases.","Catechin contents of foods commonly consumed in The Netherlands. 2. Tea, wine, fruit juices, and chocolate milk.","['Beverages', 'Catechin', 'Chromatography, High Pressure Liquid', 'Food Analysis', 'Humans', 'Netherlands', 'Spectrometry, Fluorescence', 'Spectrophotometry, Ultraviolet']","['analysis', 'analysis', None, None, None, None, None, None]",0.0,cocoa,0.2857142857142857,"['Catechins', '(-)-epigallocatechin', 'ECg', '(-)-epicatechin gallate', '(+)-catechin', 'EGCg', '(-)-epigallocatechin gallate', 'EGC', 'Catechin', 'catechins', '(-)-epicatechin']",1,18
24390407,"While metabolomics is increasingly used to investigate the food metabolome and identify new markers of food exposure, limited attention has been given to the validation of such markers. The main objectives of the present study were to (1) discover potential food exposure markers (PEMs) for a range of plant foods in a study setting with a mixed dietary background and (2) validate PEMs found in a previous meal study. Three-day weighed dietary records and 24-h urine samples were collected three times during a 6-month parallel intervention study from 107 subjects randomized to two distinct dietary patterns. An untargeted UPLC-qTOF-MS metabolomics analysis was performed on the urine samples, and all features detected underwent strict data analyses, including an iterative paired t test and sensitivity and specificity analyses for foods. A total of 22 unique PEMs were identified that covered 7 out of 40 investigated food groups (strawberry, cabbages, beetroot, walnut, citrus, green beans and chocolate). The PEMs reflected foods with a distinct composition rather than foods eaten more frequently or in larger amounts. We found that 23__% of the PEMs found in a previous meal study were also valid in the present intervention study. The study demonstrates that it is possible to discover and validate PEMs for several foods and food classes in an intervention study with a mixed dietary background, despite the large variability in such a dataset. Final validation of PEMs for intake of foods should be performed by quantitative analysis. ",Discovery and validation of urinary exposure markers for different plant foods by untargeted metabolomics.,"['Adolescent', 'Adult', 'Aged', 'Biomarkers', 'Chromatography, Liquid', 'Diet', 'Diet Records', 'Feeding Behavior', 'Female', 'Humans', 'Male', 'Mass Spectrometry', 'Metabolomics', 'Middle Aged', 'Plants, Edible', 'Reproducibility of Results', 'Sensitivity and Specificity', 'Young Adult']","[None, None, None, 'urine', None, 'classification', None, None, None, None, None, None, 'methods', None, 'classification', None, None, None]",0.0,cocoa,0.0,[],1,0
11210035,"Selected volatile compounds of chocolate ice creams containing 0.6, 4.0, 6.0, or 9.0% milk fat or containing 2.5% milk fat, cocoa butter, or one of three fat replacers (Simplesse, Dairy Lo, or Oatrim) were analyzed by gas chromatography and gas chromatography-mass spectrometry using headspace solid-phase microextraction. The headspace concentration of most of the selected volatile compounds increased with decreasing milk fat concentration. Fat replacers generally increased the concentration of volatiles found in the headspace compared with milk fat or cocoa butter. Few differences in flavor volatiles were found between the ice cream containing milk fat and the ice cream containing cocoa butter. Among the selected volatiles, the concentration of 2,5-dimethyl-3(2-methyl propyl) pyrazine was the most highly correlated (negatively) with the concentration of milk fat, and it best discriminated among ice creams containing milk fat, cocoa butter, or one of the fat replacers.","Effects of milk fat, cocoa butter, or selected fat replacers on flavor volatiles of chocolate ice cream.","['Animals', 'Chemical Phenomena', 'Chemistry, Physical', 'Chromatography, Gas', 'Consumer Behavior', 'Dietary Fats', 'Fat Substitutes', 'Food Technology', 'Gas Chromatography-Mass Spectrometry', 'Ice Cream', 'Milk', 'Taste']","[None, None, None, None, None, 'analysis', 'analysis', None, None, 'analysis', 'chemistry', None]",,cocoa,0.2391304347826087,"['cream', 'headspace', 'cocoa butter', '2,5-dimethyl-3(2-methyl propyl) pyrazine', 'replacers']",1,11
11601468,"A simple and rapid gas chromatographic (GC) method was developed for the detection of cocoa butter equivalents (CBEs) in cocoa buffer (CB). It is based on the use of a 5 m nonpolar capillary column for the separation of the main triglycerides of CB according to their acyl/carbon numbers. The GC procedure was optimized to avoid thermal degradation of the triglycerides. By computing the ratio C54/C50 and (C54/C50) x C52 and by 2-dimensional plotting of these values, authentic CB samples were clearly distinguished from samples containing various CBEs. The detection of little as 1% CBE in CB (corresponding to about 0.3% CBE in chocolate) in a model system was shown to be possible. Under real conditions, for a wide range of CBs, about 2.5% CBEs in CB were detected. With this method, quantitation was possible at a concentration of 5% CBEs in CB mixtures, which corresponds to around 1% in chocolate; this value is far below the maximum level of 5% CBEs allowed to be added to chocolate.",Development of a rapid method for the detection of cocoa butter equivalents in mixtures with cocoa butter.,"['Chromatography, Gas', 'Dietary Fats', 'Indicators and Reagents', 'Reproducibility of Results', 'Solutions', 'Temperature', 'Triglycerides']","[None, 'analysis', None, None, None, None, 'analysis']",,cocoa,0.20833333333333334,"['triglycerides', 'C52', 'cocoa butter equivalents', 'CB']",1,10
16438304,"Recent concerns surrounding the presence of acrylamide in many types of thermally processed food have brought about the need for the development of analytical methods suitable for determination of acrylamide in diverse matrices with the goals of improving overall confidence in analytical results and better understanding of method capabilities. Consequently, the results are presented of acrylamide testing in commercially available food products--potato fries, potato chips, crispbread, instant coffee, coffee beans, cocoa, chocolate and peanut butter, obtained by using the same sample extract. The results obtained by using LC-MS/MS, GC/MS (El), GC/HRMS (El)--with or without derivatization--and the use of different analytical columns, are discussed and compared with respect to matrix borne interferences, detection limits and method complexities.",Determination of acrylamide in various food matrices: evaluation of LC and GC mass spectrometric methods.,"['Acrylamide', 'Bromine', 'Chromatography, Gas', 'Chromatography, High Pressure Liquid', 'Chromatography, Liquid', 'Coffee', 'Cooking', 'Food', 'Food Analysis', 'Food Contamination', 'Food Handling', 'Gas Chromatography-Mass Spectrometry', 'Models, Statistical', 'Reproducibility of Results', 'Spectrometry, Mass, Electrospray Ionization', 'Time Factors']","['analysis', 'chemistry', 'methods', None, 'methods', None, None, None, 'methods', None, None, None, None, None, None, None]",,cocoa,0.06818181818181818,['acrylamide'],1,3
21535747,"Selected ion flow tube-mass spectrometry (SIFT-MS) was used to measure the real-time concentrations of cocoa volatiles in the headspace during roasting. Alkalized and unalkalized Don Homero and Arriba cocoa beans were roasted at 120, 150, and 170 _C in a rotary roaster. The concentrations of total alcohols, acids, aldehydes, esters, ketones, and alkylpyrazines increased, peaked, and decreased within the timeframe used for typical roasting. The concentrations of alkylpyrazines and Strecker aldehydes increased as the roasting temperature increased from 120 to 170 _C. For most of the volatile compounds, there was no significant difference between Arriba and Don Homero beans, but Arriba beans showed higher concentrations of 2-heptanone, acetone, ethyl acetate, methylbutanal, phenylacetaldehyde, and trimethylpyrazine. For unalkalized Don Homero beans (pH 5.7), the time to peak concentration decreased from 13.5 to 7.4 min for pyrazines, and from 12.7 to 7.4 min for aldehydes as the roasting temperature increased from 120 to 170 _C. Also, at 150 _C roasting, the time to peak concentration was shortened from 9 to 5.1 min for pyrazines, and from 9.1 to 5 min for aldehydes as the pH increased from 5.7 to 8.7.",Monitoring of cocoa volatiles produced during roasting by selected ion flow tube-mass spectrometry (SIFT-MS).,"['Acetaldehyde', 'Acetates', 'Acetone', 'Aldehydes', 'Cacao', 'Food Handling', 'Hydrogen-Ion Concentration', 'Ketones', 'Mass Spectrometry', 'Pyrazines', 'Volatile Organic Compounds']","['analogs & derivatives', 'analysis', 'analysis', 'analysis', 'chemistry', 'methods', None, 'analysis', 'methods', 'analysis', 'metabolism']",1.0,cocoa,0.3076923076923077,"['alcohols', 'Arriba cocoa beans were roasted', 'headspace', 'esters', 'trimethylpyrazine', '_\x8dC.', '2-heptanone', 'aldehydes', 'phenylacetaldehyde', 'acids', 'alkylpyrazines', 'Strecker aldehydes', 'acetone', 'pyrazines', '_\x8dC roasting', 'ethyl acetate']",1,20
16638661,"The objective of this study was to determine the effect of high stearic acid (SA) diets versus high polyunsaturated fatty acid (PUFA) diets on several measures of lipid peroxidation in vivo. Sprague-Dawley rats were fed diets that differed only in the fat source (8% by weight) for 19 weeks. High SA fats were beef tallow (BT) and cocoa butter (CB), high PUFA fats were soybean oil (SO) and menhaden oil (MO). Urine was analyzed for lipophilic aldehydes, the secondary products of lipid peroxidation, by HPLC. Decreases (P<0.05) were found for 4 nonpolar lipophilic aldehydes and related carbonyl compounds (NPC) and 4 polar lipophilic aldehydes and related carbonyl compounds (PC) when the BT-fed group was compared to the SO-fed group. Decreases were also found to be significant for total NPC (P<0.01) and total PC (P<0.05) between BT and SO-fed groups. Serum increase in resistance to oxidation (P<0.01) was found in the BT group when compared to the SO group. The differences in urine and serum measurements in the present experiment indicate lower level of lipid peroxidation in vivo due to the consumption of high SA containing BT diet compared to high PUFA containing SO diet without raising serum triglycerides and cholesterol levels significantly for the BT-fed groups.",Effect of high stearic acid containing fat on markers for in vivo lipid peroxidation.,"['Aldehydes', 'Animals', 'Body Weight', 'Chromatography, High Pressure Liquid', 'Dietary Fats', 'Dietary Fats, Unsaturated', 'Eating', 'Fats', 'Fatty Acids', 'Female', 'Lipid Peroxidation', 'Oxidation-Reduction', 'Rats', 'Rats, Sprague-Dawley', 'Stearic Acids']","['urine', None, 'drug effects', 'methods', 'administration & dosage', 'administration & dosage', 'drug effects', 'chemistry', 'analysis', None, 'drug effects', 'drug effects', None, None, 'administration & dosage']",2.0,cocoa,0.24050632911392406,"['CB', 'carbonyl', 'PUFA', 'cocoa butter', 'P<0.01', 'stearic acid', 'SA', '4 polar lipophilic aldehydes', 'triglycerides', 'lipophilic aldehydes', 'polyunsaturated fatty acid', 'cholesterol', 'related carbonyl']",1,19
11027026,"A method for identifying refined vegetable fats added to chocolate (cocoa butter equivalents, CBEs) was combined with established quantitative methods for determining the level of vegetable fat added to cocoa butter with the aim of providing improved precision. The identification of fats was based on the analysis of sterol and triterpene alcohol degradation products formed during the processing of the fat. The procedure was able to successfully discriminate between 95% of pairs of fats from a set (33) of CBE-type vegetable fats. Subsequent analysis of 80 mixtures of four CBEs with chocolate successfully identified, on cross-validation, 94% of the samples. Combining the qualitative procedure with established quantitative methodology, based on the analysis of triacylglycerols, improved the method precision from +/- 2.1% to +/- 0.3% (5% addition of CBE at 95% confidence). Identifying the fat analytically permits the use of quantitative methods for determining the level of added fat in chocolate that have improved precision in comparison with the measurement of an unidentified fat. This may obviate the need to use factory inspection as a means to identify the ingredients of a product and monitor compliance with proposed legislation.",An improved method for the measurement of added vegetable fats in chocolate.,"['Cacao', 'Candy', 'Food Analysis', 'Gas Chromatography-Mass Spectrometry', 'Plant Oils', 'Sterols', 'Triglycerides', 'Triterpenes']","['chemistry', 'analysis', 'methods', 'methods', 'analysis', 'analysis', 'analysis', 'analysis']",,cocoa,0.11538461538461539,"['sterol', 'cocoa butter', 'triterpene alcohol', 'cocoa butter equivalents', 'triacylglycerols', 'CBE']",1,6
12613847,"The effects of added conjugated linoleic acid (CLA) on the sensory, chemical, and physical characteristics of 2% total fat (wt/wt) fluid milk were studied. Milks with 2% (wt/wt) total fat (2% CLA, 1% CLA 1% milkfat, 2% milkfat) were made by the addition of cream or CLA triglyceride oil into skim milk followed by HTST pasteurization and homogenization. The effects of adding vitamin E (200 ppm) and rosemary extract (0.1% wt/wt based on fat content) were investigated to prevent lipid oxidation. HTST pasteurization resulted in a significant decrease of the cis-9/trans-11 isomer and other minor CLA isomers. The cis-9/trans-11 isomer concentration remained stable through 2 wk of refrigerated storage. A significant loss of both the cis-9/trans-11 and the cis-10/trans-12 isomers occurred after 3 wk of refrigerated storage. The loss was attributed to lipase activity from excessive microbial growth. No differences were found in hexanal or other common indicators of lipid oxidation between milks with or without added CLA (P > 0.05). Descriptive sensory analysis revealed that milks with 1 or 2% CLA exhibited low intensities of a ""grassy/vegetable oil"" flavor, not present in control milks. The antioxidant treatments were deemed to be ineffective, under the storage conditions of this study, and did not produce significant differences from the control samples (P > 0.05). CLA-Fortified milk had significantly lower L* and b* values compared with 2% milkfat milk. No significant differences existed in viscosity. Consumer acceptability scores (n = 100) were lower (P < 0.05) for CLA-fortified milks compared to control milks, but the addition of chocolate flavor increased acceptability (P < 0.05).",The impact of fortification with conjugated linoleic acid (CLA) on the quality of fluid milk.,"['Adolescent', 'Adult', 'Animals', 'Antioxidants', 'Cattle', 'Chromatography, Gas', 'Consumer Behavior', 'Dairying', 'Fatty Acids', 'Female', 'Food Handling', 'Food, Fortified', 'Humans', 'Lactation', 'Linoleic Acid', 'Lipase', 'Lipid Metabolism', 'Male', 'Milk', 'Oxidation-Reduction', 'Stereoisomerism', 'Taste', 'Time Factors']","[None, None, None, 'pharmacology', 'metabolism', None, None, 'methods', 'analysis', None, 'methods', None, None, 'metabolism', 'administration & dosage', 'metabolism', None, None, 'chemistry', None, None, None, None]",,cocoa,0.16455696202531644,"['cream', 'CLA', 'vitamin E', 'rosemary extract', 'hexanal', 'CLA triglyceride', 'conjugated linoleic acid', 'Milks']",1,13
26174671,"The major constituents of agarwood oils are sesquiterpenes that are obtained from isoprenoid precursors through the plastidial methylerythritol phosphate (MEP) pathway and the cytosolic mevalonate pathway. In this study, a novel full-length cDNA of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR), which was the second key enzyme in the plastid MEP pathway of sesquiterpenes biosynthesis was isolated from the stem of Aquilaria sinensis (Lour.) Gilg by the methods of reverse transcription polymerase chain reaction (RT-PCR) and rapid amplification of cDNA ends (RACE) technique for the first time, and named as AsDXR. The full-length cDNA of AsDXR was 1768 bp, containing a 1437 bp open reading frame (ORF) encoding a polypeptide of 478 amino acids with a molecular weight of 51.859 kD and the theoretical isoelectric point of 6.29. Comparative and bioinformatic analysis of the deduced AsDXR protein showed extensive homology with DXRs from other plant species, especially Theobroma cacao and Gossypium barbadense, and contained a conserved transit peptide for plastids, and extended pro-rich region and a highly conserved NADPH-binding motif owned by all plant DXRs. Southern blot analysis indicated that AsDXR belonged to a small gene family. Tissue expression pattern analysis revealed that AsDXR expressed strongly in root and stem, but weakly in leaf. Additionally, AsDXR expression was found to be activated by exogenous elicitor of MeJA (methyl jasmonate). The contents of three sesquiterpenes (_±-guaiene, _±-humulene and _”-guaiene) were significantly induced by MeJA. This study enables us to further elucidate the role of AsDXR in the biosynthesis of agarwood sesquiterpenes in A. sinensis at the molecular level. ","Molecular cloning, characterization and expression analysis of the gene encoding 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Aquilaria sinensis (Lour.) Gilg.","['Acetates', 'Aldose-Ketose Isomerases', 'Amino Acid Sequence', 'Base Sequence', 'Cloning, Molecular', 'Cyclopentanes', 'DNA, Complementary', 'Gas Chromatography-Mass Spectrometry', 'Gene Dosage', 'Gene Expression Profiling', 'Gene Expression Regulation, Plant', 'Genes, Plant', 'Molecular Sequence Data', 'Oxylipins', 'Phylogeny', 'Protein Structure, Secondary', 'Protein Structure, Tertiary', 'RNA, Messenger', 'Sequence Alignment', 'Sesquiterpenes', 'Thymelaeaceae']","['pharmacology', 'chemistry', None, None, None, 'pharmacology', 'genetics', None, None, None, 'drug effects', None, None, 'pharmacology', None, None, None, 'genetics', None, 'chemistry', 'drug effects']",0.0,cocoa,0.1728395061728395,"['methyl jasmonate', 'DXR', 'MeJA', '_\x94-guaiene', 'Aquilaria sinensis', '_±-guaiene', '1-deoxy-D-xylulose 5-phosphate', 'amino acids', 'Theobroma cacao', 'MEP', 'mevalonate', 'methylerythritol phosphate', '_±-humulene']",1,14
18484765,"Unbalanced diets generate oxidative stress commonly associated with the development of diabetes, atherosclerosis, obesity and cancer. Dietary flavonoids have antioxidant properties and may limit this stress and reduce the risk of these diseases. We used a metabolomic approach to study the influence of catechin, a common flavonoid naturally occurring in various fruits, wine or chocolate, on the metabolic changes induced by hyperlipidemic diets. Male Wistar rats ( n = 8/group) were fed during 6 weeks normolipidemic (5% w/w) or hyperlipidemic (15 and 25%) diets with or without catechin supplementation (0.2% w/w). Urines were collected at days 17 and 38 and analyzed by reverse-phase liquid chromatography-mass spectrometry (LC-QTOF). Hyperlipidic diets led to a significant increase of oxidative stress in liver and aorta, upon which catechin had no effect. Multivariate analyses (PCA and PLS-DA) of the urine fingerprints allowed discrimination of the different diets. Variables were then classified according to their dependence on lipid and catechin intake (ANOVA). Nine variables were identified as catechin metabolites of tissular or microbial origin. Around 1000 variables were significantly affected by the lipid content of the diet, and 76 were fully reversed by catechin supplementation. Four variables showing an increase in urinary excretion in rats fed the high-fat diets were identified as deoxycytidine, nicotinic acid, dihydroxyquinoline and pipecolinic acid. After catechin supplementation, the excretion of nicotinic acid was fully restored to the level found in the rats fed the low-fat diet. The physiological significance of these metabolic changes is discussed.",A liquid chromatography-quadrupole time-of-flight (LC-QTOF)-based metabolomic approach reveals new metabolic effects of catechin in rats fed high-fat diets.,"['Animals', 'Antioxidants', 'Aorta', 'Body Weight', 'Catechin', 'Cholesterol', 'Chromatography, High Pressure Liquid', 'Deoxycytidine', 'Dietary Fats', 'Eating', 'Glutathione', 'Glutathione Peroxidase', 'Glutathione Transferase', 'Liver', 'Male', 'Malondialdehyde', 'Mass Spectrometry', 'Multivariate Analysis', 'Niacin', 'Pipecolic Acids', 'Quinolines', 'Rats', 'Rats, Wistar', 'Triglycerides']","[None, 'metabolism', 'drug effects', 'drug effects', 'metabolism', 'blood', 'methods', 'metabolism', 'pharmacology', 'drug effects', 'metabolism', 'metabolism', 'metabolism', 'drug effects', None, 'metabolism', 'methods', None, 'metabolism', 'metabolism', 'metabolism', None, None, 'blood']",0.0,cocoa,0.14130434782608695,"['acid', 'flavonoids', 'deoxycytidine', 'Hyperlipidic', 'dihydroxyquinoline', 'catechin']",1,13
14558132,"The triacylglycerol (TAG) composition study of cocoa butter (CB) and cocoa butter equivalents (CBEs) has been performed by gas chromatography (GC) and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS). These two techniques provided comparable results. The advantage of the MALDI technique was the detection of each compound comprising the triacylglycerol classes (Cn). Moreover, comparison of the data obtained by these two techniques indicated that TAG relative percentages could be obtained quantitatively with the MALDI technique. These techniques have been applied for the composition determination of CB + CBE mixtures. Encouraging results showed that it is possible to quantify an admixture containing as little as 4% of CBE.",Comparative study of matrix-assisted laser desorption/ionization and gas chromatography for quantitative determination of cocoa butter and cocoa butter equivalent triacylglycerol composition.,"['Africa', 'Cacao', 'Chromatography, Gas', 'Dietary Fats', 'Solutions', 'South America', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization', 'Triglycerides']","[None, 'chemistry', None, 'analysis', None, None, None, 'analysis']",,cocoa,0.24242424242424243,"['CB', 'cocoa butter', 'cocoa butter equivalents', 'triacylglycerol', 'TAG']",1,8
28784516,"A comprehensive analysis of cocoa polyphenols from unfermented and fermented cocoa beans from a wide range of geographic origins was carried out to catalogue systematic differences based on their origin as well as fermentation status. This study identifies previously unknown compounds with the goal to ascertain, which of these are responsible for the largest differences between bean types. UHPLC coupled with ultra-high resolution time-of-flight mass spectrometry was employed to identify and relatively quantify various oligomeric proanthocyanidins and their glycosides amongst several other unreported compounds. A series of biomarkers allowing a clear distinction between unfermented and fermented cocoa beans and for beans of different origins were identified. The large sample set employed allowed comparison of statistically significant variations of key cocoa constituents.",Origin-based polyphenolic fingerprinting of Theobroma cacao in unfermented and fermented beans.,[],[],2.0,cocoa,0.05714285714285714,"['cocoa polyphenols', 'proanthocyanidins']",1,2
1806392,"We have found that many foods are contaminated with mineral oil products used as lubricating oils/greases or as release agents. The mineral oil base of such products usually consists of branched alkanes ranging between C17 and C35. It forms a broad 'hump' of unresolved compounds in the gas chromatogram. Examples of such products are described; contamination is shown for a sample of bread, bonbon, and chocolate, respectively. The results suggest that contamination of foodstuffs with mineral oils does not always receive the required attention. However, there is also a lack of guidelines.",Food contamination by hydrocarbons from lubricating oils and release agents: determination by coupled LC-GC.,"['Bread', 'Cacao', 'Candy', 'Chromatography, Gas', 'Chromatography, High Pressure Liquid', 'Food Contamination', 'Hydrocarbons', 'Mineral Oil', 'Petrolatum']","['analysis', 'chemistry', 'analysis', None, None, 'analysis', 'analysis', 'chemistry', 'chemistry']",,cocoa,0.11538461538461539,"['bonbon', 'C35', 'mineral oils']",1,3
16152941,"A simple and inexpensive liquid chromatography/mass spectrometry (LC/MS) method was developed for the quantitation of acrylamide in various food products. The method involved spiking the isotope-substituted internal standard (1-C13 acrylamide) onto 6.00 g of the food product, adding 40 mL distilled/deionized water, and heating at 65 degrees C for 30 min. Afterwards, 10 mL ethylene dichloride was added and the mixture was homogenized for 30 s and centrifuged at 2700 x g for 30 min, and then 8 g supernatant was extracted with 10, 5, and 5 mL portions of ethyl acetate. The extracts were combined, dried with sodium sulfate, and concentrated to 100-200 microL. Acrylamide was determined by analysis of the final extract on a single quadrupole, bench-top mass spectrometer with electrospray ionization, using a 2 mm id C18 column and monitoring m/z = 72 (acrylamide) and m/z = 73 (internal standard). For difficult food matrixes, such as coffee and cocoa, a solid-phase extraction cleanup step was incorporated to improve both chromatography and column lifetime. The method had a limit of quantitation of 10 ppb, and coefficients of determination (r2) for calibration curves were typically better than 0.998. Acceptable spike recovery results were achieved in 11 different food matrixes. Precision in potato chip analyses was 5-8% (relative standard deviation). This method provides an LC/MS alternative to the current LC/MS/MS methods and derivatization gas chromatography/mass spectrometry methods, and is applicable to difficult food products such as coffee, cocoa, and high-salt foods.",Quantitation of acrylamide in food products by liquid chromatography/mass spectrometry.,"['Acetates', 'Acrylamide', 'Cacao', 'Chemistry Techniques, Analytical', 'Chromatography', 'Chromatography, Liquid', 'Coffee', 'Food Analysis', 'Food Contamination', 'Gas Chromatography-Mass Spectrometry', 'Mass Spectrometry', 'Powders', 'Reference Standards', 'Reproducibility of Results', 'Solanum tuberosum', 'Sulfates', 'Temperature']","['analysis', 'analysis', None, 'instrumentation', None, 'methods', None, 'methods', None, 'methods', 'methods', None, None, None, None, 'pharmacology', None]",,cocoa,0.16666666666666666,"['sodium sulfate', 'cocoa', 'coffee, cocoa', 'ethylene dichloride', 'Acrylamide', 'coffee', 'acrylamide', 'ethyl acetate']",1,10
28566081,"Streptococcus uberis is a gram-positive bacterium that is mostly responsible for mastitis in cattle. The bacterium rarely has been associated with human infections. Conventional phenotyphic methods can be inadequate for the identification of S.uberis; and in microbiology laboratories S.uberis is confused with the other streptococci and enterococci isolates. Recently, molecular methods are recommended for the accurate identification of S.uberis isolates. The aim of this report is to present a lower respiratory tract infection case caused by S.uberis and the microbiological methods for identification of this bacterium. A 66-year-old male patient with squamous cell lung cancer who received radiotherapy was admitted in our hospital for the control. According to the chest X-Ray, patient was hospitalized with the prediagnosis of ''cavitary tumor, pulmonary abscess''. In the first day of the hospitalization, blood and sputum cultures were drawn. Blood culture was negative, however, Candida albicans was isolated in the sputum culture and it was estimated to be due to oral lesions. After two weeks from the hospitalization, sputum sample was taken from the patient since he had abnormal respiratory sounds and cough complaint. In the Gram stained smear of the sputum there were abundant leucocytes and gram-positive cocci, and S.uberis was isolated in both 5% sheep blood and chocolate agar media. Bacterial identification and antibiotic susceptibility tests were performed by VITEK 2 (Biomerieux, France) and also, the bacterium was identified by matrix assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF MS) based VITEK MS system as S.uberis. The isolate was determined susceptible to ampicillin, erythromycin, clindamycin, levofloxacin, linezolid, penicillin, cefotaxime, ceftriaxone, tetracycline and vancomycin. 16S, 23S ribosomal RNA and 16S-23S intergenic spacer gene regions were amplified with specific primers and partial DNA sequence analysis of 16S rRNA polymerase chain reaction (PCR) products were performed by 3500xL Genetic Analyzer (Applied Biosystems, USA). According to the partial 16S rRNA gene sequencing results, bacterium was confirmed as S.uberis. This report makes a significant contribution to the number of case reports of human infections caused by S.uberis as the identification was performed by current microbiological methods in our case. In conclusion, S.uberis should be evaluated as an opportunistic pathogen among the immunosuppressed patients and in addition to phenotypic bacteriological methods, the other recent microbiological methods should also be utilized for the identification.",[A rarely isolated bacterium in microbiology laboratories: Streptococcus uberis].,"['Aged', 'Candida albicans', 'Candidiasis, Oral', 'Carcinoma, Squamous Cell', 'Humans', 'Lung Neoplasms', 'Male', 'Microbial Sensitivity Tests', 'Opportunistic Infections', 'Polymerase Chain Reaction', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization', 'Sputum', 'Streptococcal Infections', 'Streptococcus']","[None, 'isolation & purification', 'complications', 'complications', None, 'complications', None, None, 'complications', None, None, 'microbiology', 'complications', 'classification']",0.0,cocoa,0.08130081300813008,"['erythromycin', 'enterococci', 'ceftriaxone', 'ampicillin', 'tetracycline', 'cefotaxime', 'penicillin', 'clindamycin', 'levofloxacin', 'vancomycin']",1,10
7362697,"The effects of dietary stearic and other saturated fatty acids on the fluidity of the plasma lipoproteins were assessed with fluorescence polarization techniques. Rabbits were maintained on diets containing either cocoa butter, milkfat, coconut oil, or corn oil as the only source of fat. Microviscosities eta, of the lipid regions of plasma very low density lipoproteins (VLDL), low density lipoproteins (LDL), and high density lipoproteins (HDL) were determined by measuring the anisotropy of fluorescence from the probe 1,6-diphenyl-1,3,5-hexatriene. The microviscosity values followed the sequence eta HDL greater than eta LDL greater than eta VLDL when the lipoproteins were isolated from the plasma of rabbits fed cocoa butter, milkfat, or corn oil, HDL and LDL consist of an invariant phase in the temperature range 0--50 degrees C regardless of diet. VLDL from rabbits fed milkfat, corn oil, or cocoa butter displayed monophasic behavior in the same range, while VLDL, from rabbits fed coconut oil showed a phase transition at 31.9 +/- 3.7 degrees C. Lipoproteins were less fluid in fasted than in non-fasted rabbits and VLDL and LDL from fasted milkfat-fed rabbits showed phase transitions. Despite the fatty acid compositions of the dietary fats, VLDL and LDL were more fluid from rabbits fed cocoa butter than from rabbits fed corn oil; apparently metabolism influences microviscosity.",Influence of dietary fats on the fluidity of the lipid domains of rabbit plasma lipoproteins.,"['Animals', 'Dietary Fats', 'Hydrocarbons', 'Lipoproteins', 'Lipoproteins, HDL', 'Lipoproteins, LDL', 'Lipoproteins, VLDL', 'Male', 'Rabbits', 'Spectrometry, Fluorescence', 'Viscosity']","[None, 'pharmacology', None, 'blood', 'blood', 'blood', 'blood', None, None, None, None]",0.0,cocoa,0.21951219512195122,"['Microviscosities', 'VLDL', 'cocoa butter', 'Lipoproteins', 'stearic', 'saturated fatty acids', 'lipoproteins', 'fatty acid', '1,6-diphenyl-1,3,5-hexatriene']",1,18
19486828,"The daily dietary intake of nickel (Ni) and zinc (Zn) by 42 young children, 21 boys and 21 girls, from 4 to 7 years of age, living in urban and rural areas of Germany and having different food consumption behaviour, was determined by the duplicate method with a 7-day sampling period. Dietary records were also kept by the children's parents for the 7-day sampling period. Individual reported food items were identified, assigned to food groups and, together with known Ni and Zn concentrations of foodstuffs, daily intake rates were calculated. The same method was used for calculations of the energy, fat, protein and carbohydrate intake rates. The levels in the food duplicates, determined by atomic absorption spectrometry, were in the range of 69-2000 microg Ni/kg(dry weight) (geometric mean (GM): 348) and 7.1-43 mg Zn/kg(dry weight) (GM: 17.5). Daily intake rates based on the 294 individual food duplicate analyses were 12-560 microgNi/d (GM: 92.3) and 1.5-11 mgZn/d (GM: 4.63). The results from the dietary records were 35-1050 microg Ni/d (GM: 123) and 1.7-15 mg Zn/d (GM: 5.35). The results of the daily intake rates from both methods showed a correlation with regard to Zn (r=0.56), but no correlation was found between either the Ni intake rates determined with both methods or between the Ni intake rates measured by the duplicate method and calculated intake rates from the dietary records of energy, fat, protein, carbohydrates or drinking water. In the case of nickel, the discrepancies between the methods lead one to suppose that the main factors influencing Ni intake by food are not directly caused by easily assessable food ingredients themselves. It is possible that other factors, such as contaminated drinking water or the transition of Ni from kettles or other household utensils made from stainless steel into the food, may be more relevant. In addition there are some foodstuffs with great variations in concentrations, often influenced by the growing area and environmental factors. Further, some food groups naturally high in Nickel like nuts, cocoa or teas might not have been kept sufficient within the records. In summary, the dietary record method gave sufficient results for Zn, but is insufficient for Ni. Based on the food duplicate analysis, children living in urban areas with consumption of food products from a family-owned garden or the surrounding area and/or products from domestic animals of the surrounding area had about one-third higher Ni levels in their food than children either living in an urban area or children consuming products exclusively from the supermarket. Only slight differences were found with regard to Zn. Compared to the recommendations of the German Society of Nutrition (DGE) (25-30 microgNi/d and 5.0 mgZn/d), the participants of the study had a clearly increased Ni and, in view of the geometric mean value, a nearly adequate Zn intake. Health risks are especially given with regard to the influence of nickel intake by food on dermatitis for nickel-sensitive individuals.",Dietary intake of nickel and zinc by young children--results from food duplicate portion measurements in comparison to data calculated from dietary records and available data on levels in food groups.,"['Child', 'Child, Preschool', 'Diet Records', 'Female', 'Germany', 'Humans', 'Male', 'Nickel', 'Spectrophotometry, Atomic', 'Zinc']","[None, None, None, None, None, None, None, 'administration & dosage', 'methods', 'administration & dosage']",0.0,cocoa,0.16470588235294117,"['Nickel like nuts, cocoa or teas', 'carbohydrates', 'Ni', 'nickel', 'GM', 'foodstuffs', 'Zn', 'zinc']",1,28
21045839,"The diversity of the chemical structures of dietary polyphenols makes it difficult to estimate their total content in foods, and also to understand the role of polyphenols in health and the prevention of diseases. Global redox colorimetric assays have commonly been used to estimate the total polyphenol content in foods. However, these assays lack specificity. Contents of individual polyphenols have been determined by chromatography. These data, scattered in several hundred publications, have been compiled in the Phenol-Explorer database. The aim of this paper is to identify the 100 richest dietary sources of polyphenols using this database.",Identification of the 100 richest dietary sources of polyphenols: an application of the Phenol-Explorer database.,"['Antioxidants', 'Cacao', 'Databases, Factual', 'Edible Grain', 'Flavonoids', 'Food Analysis', 'Fruit', 'Nuts', 'Phenols', 'Plant Extracts', 'Polyphenols', 'Spices', 'Syzygium', 'Vegetables', 'Wine']","['analysis', 'chemistry', None, 'chemistry', 'analysis', 'statistics & numerical data', 'chemistry', None, 'analysis', 'analysis', None, None, 'chemistry', 'chemistry', 'analysis']",1.0,cocoa,0.19230769230769232,"['polyphenols', 'polyphenol']",1,5
29146253,"Strategies for achieving global food security include identification of alternative feedstock for use as animal feed, to contribute towards efforts at increasing livestock farming. The presence of theobromine in cocoa pod husks, a major agro-waste in cocoa-producing countries, hinders its utilisation for this purpose. Cheap treatment of cocoa pod husks to remove theobromine would allow largescale beneficial use of the millions of metric tonnes generated annually. The aim of this study was to isolate theobromine-degrading filamentous fungi that could serve as bioremediation agents for detheobromination of cocoa pod husks. Filamentous fungi were screened for ability to degrade theobromine. The most promising isolates were characterized with respect to optimal environmental conditions for theobromine degradation. Secretion of theobromine-degrading enzymes by the isolates was investigated. Theobromine degradation was monitored by HPLC. Of fourteen theobromine-degrading isolates collected and identified by rDNA 5.8S and ITS sequences, seven belonged to Aspergillus spp. and six were Talaromyces spp. Based on the extent of theobromine utilization, four isolates; Aspergillus niger, Talaromyces verruculosus and two Talaromyces marneffei, showed the best potential for use as bioagents for detheobromination. First-time evidence was found of the use of xanthine oxidase and theobromine oxidase in degradation of a methylxanthine by fungal isolates. Metabolism of theobromine involved initial demethylation at position 7 to form 3-methylxanthine, or initial oxidation at position 8 to form 3,7-dimethyuric acid. All four isolates degraded theobromine beyond uric acid. The data suggest that the four isolates can be applied to substrates, such as cocoa pod husks, for elimination of theobromine.",Isolation and characterisation of theobromine-degrading filamentous fungi.,"['Animal Feed', 'Aspergillus niger', 'Biodegradation, Environmental', 'Cacao', 'Chromatography, High Pressure Liquid', 'DNA, Fungal', 'DNA, Ribosomal', 'Fungi', 'Hydrogen-Ion Concentration', 'Nitrogen', 'Oxidation-Reduction', 'Talaromyces', 'Temperature', 'Theobromine', 'Xanthine Oxidase']","[None, 'growth & development', None, 'chemistry', 'methods', None, 'analysis', 'classification', None, 'metabolism', None, 'growth & development', None, 'chemistry', None]",0.0,cocoa,0.17045454545454544,"['Theobromine', 'theobromine', 'fungal', 'xanthine', 'uric acid', 'methylxanthine', 'cocoa pod husks']",1,15
10335542,"When an infant presents severe cyanosis which is not associated with respiratory distress, methaemoglobinemia should always be suspected. In children its main inducers are contaminated water or vegetable broths with high nitrate levels (especially spinach and carrots) used to prepare powdered formula or soups. Children affected with methaemoglobinemia have a peculiar lavender colour. Blood from the heel sticks is chocolate-brown and does not become pink when exposed to room air. Diagnosis can be confirmed by excluding other causes of cyanosis and by spectrophotometric analysis of blood for methaemoglobin. When methaemoglobin's levels reach 60% or more, the patient will collapse and become comatose and may die. Therapy with methylene blue results in prompt relief. In this article we report a case of methaemoglobinemia due to the administration of powdered formula mixed with vegetable broths to a newborn aged 16 days. Furthermore we will present a short review of literature regarding methaemoglobinemia caused by toxic agents over the last 10 years.",[Acquired methemoglobinemia: a case report].,"['Enzyme Inhibitors', 'Female', 'Humans', 'Infant Food', 'Infant, Newborn', 'Methemoglobin', 'Methemoglobinemia', 'Methylene Blue', 'Spectrophotometry']","['therapeutic use', None, None, 'adverse effects', None, 'analysis', 'diagnosis', 'therapeutic use', None]",,cocoa,0.08333333333333333,"['nitrate', 'methylene blue', 'lavender colour.', 'methaemoglobin']",1,4
22970581,"A simple and rapid method using an octadecyl-bonded silica membrane disk impregnated with Cyanex302 is described for the pre-concentration and determination of iron. The influence of various parameters on sorption and elution of Fe(III) were systematically investigated. The sorption of Fe(III) at pH 3.2 was quantitative (99.3 +/- 1.1%). It was completely recovered using 20 mL 5.0 M HCI and determined by flame atomic absorption spectrometry. Breakthrough volume of the modified disk for Fe(III) was >2000 mL, pre-concentration factor was >100, and reusability up to 28 cycles. The LOD and LOQ for Fe(III) were 0.45 microg/L and 1.51 microg/L, respectively, while precision for its determination in terms of RSD was < or =2.1%. This method was applied for Fe(III) determination in milk, fortified flour, cocoa powder, tea, and black pepper. To validate the procedure, EPA Method Standard (QC standard 21) was analyzed for Fe(III).",Octadecyl-bonded silica membrane disk modified with Cyanex302 for pre-concentration and determination of iron in food products.,"['Adsorption', 'Animals', 'Cacao', 'Chemistry Techniques, Analytical', 'Flour', 'Food Analysis', 'Hydrogen-Ion Concentration', 'Ions', 'Iron', 'Milk', 'Organothiophosphorus Compounds', 'Phosphinic Acids', 'Piper nigrum', 'Reference Standards', 'Reproducibility of Results', 'Silicon Dioxide', 'Spectrophotometry, Atomic', 'Tea', 'Time Factors']","[None, None, None, 'methods', None, 'methods', None, None, 'analysis', None, 'chemistry', 'chemistry', None, None, None, 'chemistry', 'methods', None, None]",,cocoa,0.09090909090909091,"['HCI', 'EPA', 'iron', 'fortified']",1,4
29391642,"The effect of the partial replacement of cocoa butter (CB) by cocoa butter equivalent (CBE) in the release of volatile compounds in dark chocolate was studied. The fatty acid profile, triacylglyceride composition, solid fat content (SFC) and melting point were determined in CB and CBE. Chocolate with CB (F1) and with different content of CBE (5 and 10%-F2 and F3, respectively) were prepared. Plastic viscosity and Casson flow limit, particle size distribution and release of volatile compounds using a solid phase microextraction with gas chromatography (SMPE-GC) were determined in the chocolate samples. The melting point was similar for the studied samples but SFC indicated different melting behavior. CBE showed a higher saturated fatty acid content when compared to CB. The samples showed similar SOS triglyceride content (21 and 23.7% for CB and CBE, respectively). Higher levels of POS and lower POP were observed for CB when compared to CBE (44.8 and 19.7 and 19 and 41.1%, respectively). The flow limit and plastic viscosity were similar for the studied chocolates samples, as well as the particle size distribution. Among the 27 volatile compounds identified in the samples studied, 12 were detected in significantly higher concentrations in sample F1 (phenylacetaldehyde, methylpyrazine, 2,6-dimethylpyrazine, 2-ethyl-5-methylpyrazine, 2-ethyl-3,5-dimethylpyrazine, tetramethylpyrazine, trimethylpyrazine, 3-ethyl-2,5-dimethylpyrazine, phenethyl alcohol, 2-acetylpyrrole, acetophenone and isovaleric acid). The highest changes were observed in the pyrazines group, which presented a decrease of more than half in the formulations where part of the CB was replaced by the CBE.",Impact of the addition of cocoa butter equivalent on the volatile compounds profile of dark chocolate.,[],[],,cocoa,0.3373493975903614,"['saturated fatty acid', '2,6-dimethylpyrazine', 'methylpyrazine', 'CBE', 'pyrazines', 'CB', 'trimethylpyrazine', '2-acetylpyrrole', 'phenylacetaldehyde', '3-ethyl-2,5-dimethylpyrazine', '2-ethyl-5-methylpyrazine', 'isovaleric acid', 'fatty acid', 'triacylglyceride', 'phenethyl alcohol', '2-ethyl-3,5-dimethylpyrazine', 'cocoa butter', 'acetophenone', 'triglyceride', 'tetramethylpyrazine']",1,28
29548447,"The nutritional value of cocoa butter is mainly determined by the composition of triacylglycerols (TAGs). In this paper we have developed a non-aqueous reversed-phase liquid chromatographic method, using ethanol as the mobile phase, coupled to electrospray ionization (ESI) tandem mass spectrometry to identify TAGs in raw cocoa beans from six different origins. Tandem mass spectrometry was adopted to facilitate the identification of TAGs using unique diacylglycerol product ions and neutral losses. Additionally, two-dimensional m/z retention time maps aided the identification of entire homologous series of TAGs. A total of 83 different TAGs were identified in unfermented cocoa beans, 58 of which were not previously reported in cocoa. Thirty-one of these compounds represent a new class of TAGs characterized by the presence of one to three hydroxyl groups on the unsaturated fatty acid chain. To date, this represents the largest number of TAGs identified in cocoa.",Characterization of triacylglycerols in unfermented cocoa beans by HPLC-ESI mass spectrometry.,[],[],2.0,cocoa,0.358974358974359,"['unsaturated fatty acid', 'cocoa butter', 'hydroxyl', 'ethanol', 'diacylglycerol', 'triacylglycerols', 'TAGs', 'non-aqueous']",1,14
30027968,"Recrystallisation occurs frequently in confectionery. More information on sucrose re-crystallisation will aid our understanding of popular foods like chocolate. However, progress has been limited due the lack of a robust method for the production of amorphous sucrose, with known purity. Poor control has led to the glass transition temperatures (Tg's) for amorphous sucrose varying between 48-78 _C in the literature. Our objective was to investigate the recrystallization of sucrose in the presence of lactose, NaCl and water. The purity of sucrose was confirmed by ion chromatography, polarimetry and differential scanning calorimetry. Amorphous sucrose was prepared by freeze-drying 10% w/v aqueous solutions. Fisher (99.7%) and Silver Spoon (98.4%) sucrose samples melted at 186 _± 0.6 _C & 189 _± 0.3 _C respectively. For the Fisher sample the absence of invert sugars and low mineral content allowed the observation of a small endotherm (___ 150 _C). The Tg of amorphous sucrose was 58.3 _± 1.1 _C with a recrystallization enthalpy (_”Hcrys) of 72.8 _± 6.0 J g-1. NaCl reduced both the Tg (54.8 _± 1.8 _C) and the _”Hcrys (35.7 _± 3.8 J g-1) without affecting the onset temperature of sucrose's re-crystallization (Tcrys, 129.5 _± 6.9 _C), suggesting that a proportion of the sample remained amorphous. The presence of water (1.6 _± 0.07%) inside the hermetically sealed pans caused an earlier onset of Tg (52.3 _± 1.3 _C) and Tcrys (85.1 _± 4.0 _C), as well as lowering _”Hcrys (45.2 _± 2.4 J g-1) compared to samples contained in pin-holed pans (where evaporation was possible). The presence of lactose inhibited the crystallization of sucrose completely. On the basis of this study, it is apparent that sucrose crystallization is highly dependent on the presence of other common food ingredients within the matrix.",Crystallisation of freeze-dried sucrose in model mixtures that represent the amorphous sugar matrices present in confectionery.,[],[],0.0,cocoa,0.20430107526881722,"['NaCl', 'Tcrys, 129.5 _', 'sucrose', '___ 150 _\x8dC', '_\x8dC', 'lactose']",1,19
23122117,"The definition of fat differs in different countries; thus whether fat is listed on food labels depends on the country. Some countries list crude fat content in the 'Fat' section on the food label, whereas other countries list total fat. In this study, three methods were used for determining fat classes and content in bakery products: the Folch method, the automated Soxhlet method, and the AOAC 996.06 method. The results using these methods were compared. Fat (crude) extracted by the Folch and Soxhlet methods was gravimetrically determined and assessed by fat class using capillary gas chromatography (GC). In most samples, fat (total) content determined by the AOAC 996.06 method was lower than the fat (crude) content determined by the Folch or automated Soxhlet methods. Furthermore, monounsaturated fat or saturated fat content determined by the AOAC 996.06 method was lowest. Almost no difference was observed between fat (crude) content determined by the Folch method and that determined by the automated Soxhlet method for nearly all samples. In three samples (wheat biscuits, butter cookies-1, and chocolate chip cookies), monounsaturated fat, saturated fat, and trans fat content obtained by the automated Soxhlet method was higher than that obtained by the Folch method. The polyunsaturated fat content obtained by the automated Soxhlet method was not higher than that obtained by the Folch method in any sample.",Comparison of different methods to quantify fat classes in bakery products.,"['Bread', 'Chemistry Techniques, Analytical', 'Fats', 'Food Analysis', 'Food Labeling']","['analysis', 'methods', 'chemistry', 'methods', None]",0.0,cocoa,0.013888888888888888,['polyunsaturated'],1,1
25829576,"In the present study, refined dark chocolate mix was conched with the addition of finely powdered cinnamon in a laboratory-style conching machine to evaluate its aroma profile both analytically and sensorially. The analytical determinations were carried out by a combination of solid phase micro extraction (SPME)-gas chromatography (GC)-mass spectroscopy (MS) and-olfactometry(O), while the sensory evaluation was made with trained panelists. The optimum conditions for the SPME were found to be CAR/PDMS as the fiber, 60___C as the temperature, and 60__min as the time. SPME analyses were carried out at 60___C for 60__min with toluene as an internal standard. 26 compounds were monitored before and after conching. The unconched sample had a significantly higher fruity odor value than the conched sample. This new product was highly acceptable according to the overall inclination test. However some of textural properties, such as coarseness, and hardness were below the general preference. ",Effect of cinnamon powder addition during conching on the flavor of dark chocolate mass.,[],[],0.0,cocoa,0.0975609756097561,"['60__min', 'toluene', 'cinnamon']",1,4
23521141,"The dietary intakes of nine synthetic food colours--amaranth, erythrosine, Allura Red, Ponceau 4R, tartrazine, Sunset Yellow FCF, Fast Green FCF, Brilliant Blue FCF and indigo carmine--permitted in Korea were estimated based on food consumption data for consumers and their concentrations in processed foods. The estimated daily intakes (EDIs) by Korean consumers were compared with the acceptable daily intakes (ADIs) of the colours. Among 704 foods sampled, 471 contained synthetic colours. The most highly consumed synthetic colours were Allura Red and tartrazine; the highest EDI/ADI ratios were found for amaranth, erythrosine and Allura Red. The EDIs of infants and children were higher than those of adults. The main food categories containing colours were beverages and liquor for adults, and beverages, chocolate and ice cream for infants and children. For average Korean consumers, the EDIs were not greater than 2.5% of their corresponding ADIs, although the EDI of a conservative consumer in the upper 95th percentile reached 37% of the ADI.",Exposure assessment of synthetic colours approved in Korea.,"['Child', 'Child, Preschool', 'Chromatography, High Pressure Liquid', 'Environmental Exposure', 'Female', 'Food Coloring Agents', 'Humans', 'Infant', 'Male', 'Republic of Korea', 'Spectrophotometry, Ultraviolet']","[None, None, None, None, None, None, None, None, None, None, None]",0.0,cocoa,0.15517241379310345,"['cream', 'erythrosine', 'EDIs', 'indigo carmine', 'Ponceau', 'Green FCF', 'ADI', 'Brilliant Blue FCF']",1,9
19559444,"A simple and direct approach was developed for thermochemolytic analysis of a wide range of biomolecules present in plant materials using an injection port of a gas chromatograph/mass spectrometer (GC/MS) and a novel solids injector consisting of a coiled stainless steel wire placed inside a modified needle syringe. Optimum thermochemolysis (or Thermally Assisted Hydrolysis/Methylation) was achieved by using a suitable methanolic solution of trimethylsulfonium hydroxide (TMSH) or tetramethylammonium hydroxide (TMAH) with an injection port temperature of 350 degrees C. Intact, methylated flavonoids, saccharides, phenolic and fatty acids, lignin dimers and diterpene resin acids were identified. Samples include tea leaves, hemicelluloses, lignin isolates and herbal medicines. Unexpected chromatographic results using TMAH reagent revealed the presence of intact methylated trisaccharides (658 Da) and structurally informative dimer lignin markers.",Use of an injection port for thermochemolysis-gas chromatography/mass spectrometry: rapid profiling of biomaterials.,"['Cacao', 'Catechin', 'Equipment Design', 'Gas Chromatography-Mass Spectrometry', 'Hypericum', 'Larix', 'Lignin', 'Pinus', 'Plant Extracts', 'Plant Leaves', 'Polysaccharides', 'Quaternary Ammonium Compounds', 'Reproducibility of Results', 'Sulfonium Compounds', 'Tea', 'Temperature']","['chemistry', 'analysis', None, 'instrumentation', 'chemistry', 'chemistry', 'analysis', 'chemistry', 'analysis', 'chemistry', 'analysis', 'chemistry', None, 'chemistry', 'chemistry', None]",2.0,cocoa,0.20833333333333334,"['trimethylsulfonium hydroxide', 'tetramethylammonium hydroxide', 'TMAH', 'flavonoids', 'lignin', 'diterpene resin acids', 'saccharides, phenolic and fatty acids']",1,10
27730643,"Rapid and early identification of micro-organisms in blood has a key role in the diagnosis of a febrile patient, in particular, in guiding the clinician to define the correct antibiotic therapy. This study presents a simple and very fast method with high performances for identifying bacteria by matrix-assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF MS) after only 4__h of incubation. We used early bacterial growth on PolyViteX chocolate agar plates inoculated with five drops of blood-broth medium deposited in the same point and spread with a sterile loop, followed by a direct transfer procedure on MALDI-TOF MS target slides without additional modification. Ninety-nine percentage of aerobic bacteria were correctly identified from 600 monomicrobial-positive blood cultures. This procedure allowed obtaining the correct identification of fastidious pathogens, such as Streptococcus pneumoniae, Neisseria meningitidis and Haemophilus influenzae that need complex nutritional and environmental requirements in order to grow. Compared to the traditional pathogen identification from blood cultures that takes over 24__h, the reliability of results, rapid performance and suitability of this protocol allowed a more rapid administration of optimal antimicrobial treatment in the patients.",Reducing time to identification of aerobic bacteria and fastidious micro-organisms in positive blood cultures.,"['Bacteria, Aerobic', 'Bacteriological Techniques', 'Blood', 'Blood Culture', 'Humans', 'Sensitivity and Specificity', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization', 'Time Factors']","['chemistry', 'methods', 'microbiology', None, None, None, 'methods', None]",0.0,cocoa,0.0,[],1,0
24780068,"It has been suggested that vitamin D___ is not very prevalent in the human food chain. However, data from a number of recent intervention studies suggest that the majority of subjects had measurable serum 25-hydroxyvitamin D___ (25(OH)D___) concentrations. Serum 25(OH)D___, unlike 25(OH)D___, is not directly influenced by exposure of skin to sun and thus has dietary origins; however, quantifying dietary vitamin D___ is difficult due to the limitations of food composition data. Therefore, the present study aimed to characterise serum 25(OH)D___ concentrations in the participants of the National Adult Nutrition Survey (NANS) in Ireland, and to use these serum concentrations to estimate the intake of vitamin D___ using a mathematical modelling approach. Serum 25(OH)D___ concentration was measured by a liquid chromatography-tandem MS method, and information on diet as well as subject characteristics was obtained from the NANS. Of these participants, 78.7 % (n 884) had serum 25(OH)D___ concentrations above the limit of quantification, and the mean, maximum, 10th, 50th (median) and 90th percentile values of serum 25(OH)D___ concentrations were 3.69, 27.6, 1.71, 2.96 and 6.36 nmol/l, respectively. To approximate the intake of vitamin D___ from these serum 25(OH)D___ concentrations, we used recently published data on the relationship between vitamin D intake and the responses of serum 25(OH)D concentrations. The projected 5th to 95th percentile intakes of vitamin D___ for adults were in the range of 0.9-1.2 and 5-6 __g/d, respectively, and the median intake ranged from 1.7 to 2.3 __g/d. In conclusion, the present data demonstrate that 25(OH)D___ concentrations are present in the sera of adults from this nationally representative sample. Vitamin D___ may have an impact on nutritional adequacy at a population level and thus warrants further investigation.",Dietary vitamin D___--a potentially underestimated contributor to vitamin D nutritional status of adults?,"['25-Hydroxyvitamin D 2', 'Adult', 'Agaricales', 'Cacao', 'Databases, Factual', 'Diet', 'Dietary Supplements', 'Ergocalciferols', 'Female', 'Food, Fortified', 'Functional Food', 'Humans', 'Ireland', 'Male', 'Models, Biological', 'Nutrition Surveys', 'Nutritional Status', 'Nutritive Value', 'Vitamin D Deficiency']","['blood', None, 'chemistry', 'chemistry', None, 'adverse effects', 'analysis', 'administration & dosage', None, 'analysis', 'analysis', None, None, None, None, None, None, None, 'blood']",0.0,cocoa,0.2087912087912088,"['25-hydroxyvitamin D___', 'vitamin D___', '25(OH)D___', 'Vitamin D___', 'vitamin D', '25(OH)D', '___']",1,19
2433870,"The nickel content of food items consumed in Denmark was estimated on the basis of analysis by atomic absorption spectrophotometry. The highest concentrations (1-10 mg nickel/kg fresh weight) were found in cocoa, licorice, lucerne seeds, dried beans, peanuts, hazel nuts, sunflower seeds, oat meal and wheat bran. A diet instruction sheet is proposed as an aid to reduce the amount of nickel ingested. The nickel intake of 8 normal volunteers for 24-hour periods was measured when they ingested their usual diet, reduced nickel intake by adherence to the diet instruction sheet, and when they made a conscious effort to increase nickel intake. It is concluded that it is possible to reduce daily nickel intake in food items.",Nickel in Danish food.,"['Denmark', 'Diet', 'Female', 'Food Analysis', 'Humans', 'Male', 'Nickel', 'Spectrophotometry, Atomic']","[None, None, None, None, None, None, 'analysis', None]",,cocoa,0.14893617021276595,"['nickel', 'bran']",1,7
27285570,"Polyphenols play an important role in human health. To address their accessibility to a breastfed infant, we planned to evaluate whether breast milk (BM) (colostrum, transitional, and mature) epicatechin metabolites could be related to the dietary habits of mothers. The polyphenol consumption of breastfeeding mothers was estimated using a food frequency questionnaire and 24 h recalls. Solid-phase extraction-ultra performance liquid chromatography-tandem mass spectrometry (SPE-UPLC-MS/MS) was applied for direct epicatechin metabolite analysis. Their bioavailability in BM as a result of dietary ingestion was confirmed in a preliminary experiment with a single dose of dark chocolate. Several host and microbial phase II metabolites of epicatechin were detected in BM among free-living lactating mothers. Interestingly, a modest correlation between dihydroxyvalerolactone sulfate and the intake of cocoa products was observed. Although a very low percentage of dietary polyphenols is excreted in BM, they are definitely in the diet of breastfed infants. Therefore, evaluation of their role in infant health could be further promoted. ",Dietary Epicatechin Is Available to Breastfed Infants through Human Breast Milk in the Form of Host and Microbial Metabolites.,"['Adult', 'Breast Feeding', 'Cacao', 'Catechin', 'Female', 'Humans', 'Infant', 'Lactation', 'Male', 'Milk, Human', 'Tandem Mass Spectrometry']","[None, None, 'metabolism', 'analysis', None, None, None, None, None, 'chemistry', None]",0.0,cocoa,0.11538461538461539,"['epicatechin', 'polyphenols', 'dihydroxyvalerolactone sulfate', 'polyphenol']",1,6
22972787,"Flavor is one of the most important characteristics of chocolate products and is due to a complex volatile fraction, depending both on the cocoa bean genotype and the several processes occurring during chocolate production (fermentation, drying, roasting and conching). Alkylpyrazines are among the most studied volatiles, being one of the main classes of odorant compounds in cocoa products. In this work, a mass spectrometric approach was used for the comparison of cocoa liquors from different countries. A headspace solid-phase microextraction gas chromatography-mass spectrometry method was developed for the qualitative study of the volatile fraction; the standard addition method was then used for the quantitative determination of five pyrazines (2-methylpyrazine, 2,3-dimethylpyrazine, 2,5-dimethylpyrazine, 2,3,5-trimethylpyrazine and tetramethylpyrazine). Satisfactory figures of merit were obtained: Limits of quantitation were in the range 0.1-2.7___ng/g; repeatability and reproducibility varied between 3% and 7% and between 8% and 14%, respectively. The total content of the pyrazines was remarkably different in the considered samples, ranging from 99 to 708___ng/g. Tetramethylpyrazine showed the highest concentration in all samples, with a maximum value of 585___ng/g. A preliminary study was also performed on the nonvolatile fraction using LC-MS/MS, identifying some flavanols such as catechin, epicatechin and procyanidins.",Characterization of cocoa liquors by GC-MS and LC-MS/MS: focus on alkylpyrazines and flavanols.,[],[],,cocoa,0.23214285714285715,"['epicatechin', '2,3-dimethylpyrazine', 'Alkylpyrazines', 'headspace', '2,5-dimethylpyrazine', '2-methylpyrazine', 'Tetramethylpyrazine', 'procyanidins', '2,3,5-trimethylpyrazine', 'pyrazines', 'flavanols', 'catechin', 'tetramethylpyrazine']",1,13
4086433,"A headspace gas chromatographic (GC) method, which can be automated, has been developed for determination of methyl bromide. This method has been applied to wheat, flour, cocoa, and peanuts. Samples to be analyzed are placed in headspace sample vials, water is added, and the vials are sealed with Teflon-lined septa. After an appropriate equilibration time at 32 degrees C, the samples are analyzed within 10 h. A sample of the headspace is withdrawn and analyzed on a gas chromatograph equipped with an electron capture detector (ECD). Methyl bromide levels were quantitated by comparison of peak area with a standard. The standard was generated by adding a known amount of methyl bromide to a portion of the matrix being analyzed and which was known to be methyl bromide free. The detection limit of the method was 0.4 ppb. The coefficient of variation (CV) was 6.5% for wheat, 8.3% for flour, 3.3% for cocoa, and 11.6% for peanuts.",Headspace gas chromatographic method for determination of methyl bromide in food ingredients.,"['Arachis', 'Cacao', 'Chromatography, Gas', 'Flour', 'Food Contamination', 'Hydrocarbons, Brominated', 'Triticum', 'Water Pollutants, Chemical', 'Water Supply']","['analysis', 'analysis', None, 'analysis', 'analysis', 'analysis', 'analysis', 'analysis', 'analysis']",,cocoa,0.13333333333333333,"['methyl bromide', 'Methyl bromide', 'headspace']",1,6
25530151,"Dietary intervention studies have shown that flavanols and inorganic nitrate can improve vascular function, suggesting that these two bioactives may be responsible for beneficial health effects of diets rich in fruits and vegetables. We aimed to study interactions between cocoa flavanols (CF) and nitrate, focusing on absorption, bioavailability, excretion, and efficacy to increase endothelial function. In a double-blind randomized, dose-response crossover study, flow-mediated dilation (FMD) was measured in 15 healthy subjects before and at 1, 2, 3, and 4 h after consumption of CF (1.4-10.9 mg/kg bw) or nitrate (0.1-10 mg/kg bw). To study flavanol-nitrate interactions, an additional intervention trial was performed with nitrate and CF taken in sequence at low and high amounts. FMD was measured before (0 h) and at 1h after ingestion of nitrate (3 or 8.5 mg/kg bw) or water. Then subjects received a CF drink (2.7 or 10.9 mg/kg bw) or a micro- and macronutrient-matched CF-free drink. FMD was measured at 1, 2, and 4 h thereafter. Blood and urine samples were collected and assessed for CF and nitric oxide (NO) metabolites with HPLC and gas-phase reductive chemiluminescence. Finally, intragastric formation of NO after CF and nitrate consumption was investigated. Both CF and nitrate induced similar intake-dependent increases in FMD. Maximal values were achieved at 1 h postingestion and gradually decreased to reach baseline values at 4 h. These effects were additive at low intake levels, whereas CF did not further increase FMD after high nitrate intake. Nitrate did not affect flavanol absorption, bioavailability, or excretion, but CF enhanced nitrate-related gastric NO formation and attenuated the increase in plasma nitrite after nitrate intake. Both flavanols and inorganic nitrate can improve endothelial function in healthy subjects at intake amounts that are achievable with a normal diet. Even low dietary intake of these bioactives may exert relevant effects on endothelial function when ingested together.",Interactions between cocoa flavanols and inorganic nitrate: additive effects on endothelial function at achievable dietary amounts.,"['Adult', 'Blood Pressure', 'Brachial Artery', 'Cacao', 'Chromatography, High Pressure Liquid', 'Cross-Over Studies', 'Dietary Supplements', 'Dose-Response Relationship, Drug', 'Flavonoids', 'Humans', 'Male', 'Nitrates', 'Nitric Oxide', 'Stomach', 'Vasodilation']","[None, 'drug effects', 'drug effects', 'chemistry', None, None, None, None, 'administration & dosage', None, None, 'administration & dosage', 'analysis', 'metabolism', 'drug effects']",0.0,cocoa,0.17117117117117117,"['nitrate', 'nitric oxide', 'flavanol', 'Nitrate', 'NO', 'nitrite', 'flavanols']",1,19
10956135,"A technique based on solid-phase microextraction, mass spectrometry, and multivariate analysis (SPME-MS-MVA) was used to predict the shelf life of pasteurized and homogenized reduced-fat milk and whole-fat chocolate milk sampled over a 7 month period. Using SPME-MS-MVA, which is essentially a mass spectrometry-based electronic-nose instrument, volatile bacterial metabolites were extracted from milk with SPME (Carboxen-PDMS) and injected into a GC capillary column at elevated temperature. Mass fragmentation profiles from the unresolved milk volatile components were normalized to the intensity of a chlorobenzene internal standard mass peak (m/z 112) and subjected to MVA. Prediction models based on partial least-squares regression of mass intensity lists were able to predict the shelf life of samples to approximately +/-1 day, with correlation coefficients greater than 0.98 for the two types of milk samples. Using principal component analysis techniques, the procedure was also useful for classifying samples that were rendered unpalatable by nonmicrobial sources (contamination by copper and sanitizer) as well as by bacteria.","Shelf-life prediction of processed milk by solid-phase microextraction, mass spectrometry, and multivariate analysis.","['Animals', 'Food Handling', 'Mass Spectrometry', 'Milk', 'Multivariate Analysis']","[None, None, None, None, None]",0.0,cocoa,0.06382978723404255,"['chlorobenzene', 'SPME', 'copper']",1,3
28041933,"Ochratoxin A (OTA) is a mycotoxin (fungal toxin) found in multiple foodstuffs. Because OTA has been shown to cause kidney disease in multiple animal models, several governmental bodies around the world have set maximum allowable levels of OTA in different foods and beverages. In this study, we conducted the first exposure and risk assessment study of OTA for the United States' population. A variety of commodities from grocery stores across the US were sampled for OTA over a 2-year period. OTA exposure was calculated from the OTA concentrations in foodstuffs and consumption data for different age ranges. We calculated the margin of safety (MOS) for individual age groups across all commodities of interest. Most food and beverage samples were found to have non-detectable OTA; however, some samples of dried fruits, breakfast cereals, infant cereals, and cocoa had detectable OTA. The lifetime MOS in the US population within the upper 95% of consumers of all possible commodities was >1, indicating negligible risk. In the US, OTA exposure is highest in infants and young children who consume large amounts of oat-based cereals. Even without OTA standards in the US, exposures would not be associated with significant risk of adverse effects.",A risk assessment of dietary Ochratoxin a in the United States.,"['Adolescent', 'Adult', 'Aged', 'Aged, 80 and over', 'Child', 'Child, Preschool', 'Chromatography, Liquid', 'Diet', 'Female', 'Food Contamination', 'Humans', 'Infant', 'Infant, Newborn', 'Male', 'Middle Aged', 'Mycotoxins', 'Ochratoxins', 'Risk Assessment', 'Tandem Mass Spectrometry', 'United States', 'Young Adult']","[None, None, None, None, None, None, None, None, None, 'analysis', None, None, None, None, None, 'analysis', 'analysis', None, None, None, None]",1.0,cocoa,0.18181818181818182,"['mycotoxin', 'fungal toxin', 'OTA', 'Ochratoxin A']",1,14
30011739,"Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) is an ultra-high resolution mass spectrometry technique used mainly in analysis of unresolved complex mixtures comprising tens of thousands of analytes. For the first time, it was used to analyze samples of raw fermented cocoa beans originating from Cameroon and Ivory Coast. The direct infusion mass spectra of the raw fermented cocoa bean extracts showed 10091 and 10911 peaks, resp., rating cocoa among the most complex organic mixtures ever analyzed. Automated molecular formula calculations could assign 2995 and 2968 of the peaks, resp. to formulae containing only C, H, O, N___3 and S___1 atoms. The formulae were separated into four groups depending on their heteroatom content and the intensities of the groups were compared in class plots, showing the highest population in the CHON species, but the highest abundance in the CHO species. Elemental ratios obtained from the molecular formulae were plotted in an intensity coded three-dimensional modification of the van Krevelen diagram. For the CHO species, the van Krevelen diagram showed that most of the intensity belongs to the lipid, polyphenol and carbohydrate regions of the plot. The biggest difference was observed in the CHON group, assigned as peptide degradation products, where the Ivorian beans showed greater variety and molecular diversity and higher total intensity of the nitrogen containing compounds, in accordance with the fact that the Ivorian beans show generally higher nitrogen content than the Cameroon beans. FTICR-MS proves capable not only for high-throughput comparison of major classes of metabolites from cocoa samples from different origins, but also can give insight into the different molecular formulae comprising these compound classes.",Fourier transform ion cyclotron resonance mass spectrometrical analysis of raw fermented cocoa beans of Cameroon and Ivory Coast origin.,[],[],0.0,cocoa,0.03571428571428571,"['polyphenol', 'carbohydrate', 'nitrogen']",1,3
24236083,"The genus Capsicum is New World in origin and represents a complex of a wide variety of both wild and domesticated taxa. Peppers or fruits of Capsicum species rarely have been identified in the paleoethnobotanical record in either Meso- or South America. We report here confirmation of Capsicum sp. residues from pottery samples excavated at Chiapa de Corzo in southern Mexico dated from Middle to Late Preclassic periods (400 BCE to 300 CE). Residues from 13 different pottery types were collected and extracted using standard techniques. Presence of Capsicum was confirmed by ultra-performance liquid chromatography (UPLC)/MS-MS Analysis. Five pottery types exhibited chemical peaks for Capsicum when compared to the standard (dihydrocapsaicin). No peaks were observed in the remaining eight samples. Results of the chemical extractions provide conclusive evidence for Capsicum use at Chiapas de Corzo during a 700 year period (400 BCE-300 CE). Presence of Capsicum in different types of culinary-associated pottery raises questions how chili pepper could have been used during this early time period. As Pre-Columbian cacao products sometimes were flavored using Capsicum, the same pottery sample set was tested for evidence of cacao using a theobromine marker: these results were negative. As each vessel that tested positive for Capsicum had a culinary use we suggest here the possibility that chili residues from the Chiapas de Corzo pottery samples reflect either paste or beverage preparations for religious, festival, or every day culinary use. Alternatively, some vessels that tested positive merely could have been used to store peppers. Most interesting from an archaeological context was the presence of Capsicum residue obtained from a spouted jar, a pottery type previously thought only to be used for pouring liquids. ","Prehispanic use of chili peppers in Chiapas, Mexico.","['Capsaicin', 'Capsicum', 'Cooking', 'Cooking and Eating Utensils', 'History, Ancient', 'Humans', 'Indians, North American', 'Mexico', 'Tandem Mass Spectrometry']","['chemistry', 'chemistry', 'history', None, None, None, None, None, None]",0.0,cocoa,0.047619047619047616,"['dihydrocapsaicin', 'BCE', 'cacao', 'theobromine']",1,4
29090642,"Brazil is the sixth largest producer of cocoa beans in the world, after C_te d'Ivoire, Ghana, Indonesia, Nigeria and Cameroon. The southern region of Bahia stands out as the country's largest producer, accounting for approximately 60% of production. Due to damage caused by infestation of the cocoa crop with the fungus Moniliophthora perniciosa, which causes 'witch's broom disease', research in cocoa beans has led to the cloning of species that are resistant to the disease; however, there is little information about the development of other fungal genera in these clones, such as Aspergillus, which do not represent a phytopathogenicity problem but can grow during the pre-processing of cocoa beans and produce mycotoxins. Thus, the aim of this work was to determine the presence of aflatoxin (AF) and ochratoxin A (OTA) in cocoa clones developed in Brazil. Aflatoxin and ochratoxin A contamination were determined in 130 samples from 13 cocoa clones grown in the south of Bahia by ultra-performance liquid chromatography with a fluorescence detector. The method was evaluated for limit of detection (LOD) (0.05-0.90 __g kg","Aflatoxins and ochratoxin A in different cocoa clones (Theobroma cacao L.) developed in the southern region of Bahia, Brazil.","['Aflatoxins', 'Brazil', 'Cacao', 'Food Contamination', 'Ochratoxins']","['analysis', None, 'chemistry', 'analysis', 'analysis']",1.0,cocoa,0.11290322580645161,"['ochratoxin A', 'OTA', 'cocoa beans', 'mycotoxins', 'aflatoxin', 'Aflatoxin']",1,7
20557892,"This paper reports a comprehensive sensitive multi-residue liquid chromatography-tandem mass spectrometry (LC-MS/MS) method for detection, identification and quantitation of 73 pesticides and their related products, a total of 98 analytes, belonging to organophosphorus pesticides (OPPs) and carbamates, in foods. The proposed method makes use of a modified QuEChERS (quick, easy, cheap, effective, rigged, and safe) procedure that combines isolation of the pesticides and sample clean-up in a single step. Analysis is performed by liquid chromatography-electrospray ionization-tandem mass spectrometry operated in the multiple reaction monitoring (MRM) mode, acquiring two specific precursor-product ion transitions per target compound. Two main fragment ions for each pesticide were obtained to achieve the identification according to the SANCO guidelines 10684/2009. The method was validated with various food samples, including edible oil, meat, egg, cheese, chocolate, coffee, rice, tree nuts, citric fruits, vegetables, etc. No significant matrix effect was observed for tested pesticides, therefore, matrix-matched calibration was not necessary. Calibration curves were linear and covered from 1 to 20 microg L(-1) for all compounds studied. The average recoveries, measured at 10 microg kg(-1), were in the range 70-120% for all of the compounds tested with relative standard deviations below 20%, while a value of 10 microg kg(-1) has been established as the method limit of quantitation (MLOQ) for all target analytes. Similar trueness and precision results were also obtained for spiking at 200 microg kg(-1). Expanded uncertainty values were in the range 21-27% while the HorRat ratios were below 1. The method has been successfully applied to the analysis of 700 food samples in the course of a baseline monitoring study of OPPs and carbamates.",Validation and use of a fast sample preparation method and liquid chromatography-tandem mass spectrometry in analysis of ultra-trace levels of 98 organophosphorus pesticide and carbamate residues in a total diet study involving diversified food types.,"['Carbamates', 'Chromatography, Liquid', 'Food Analysis', 'Food Contamination', 'Organophosphorus Compounds', 'Pesticide Residues', 'Tandem Mass Spectrometry']","['analysis', 'methods', 'methods', 'analysis', 'analysis', 'analysis', 'methods']",0.0,cocoa,0.06741573033707865,"['pesticides', 'organophosphorus pesticides', 'pesticide', 'citric fruits', 'carbamates']",1,6
25965784,"An easy extraction method that permits the use of a liquid chromatography-isotopic ratio mass spectrometry (LC-IRMS) system to evaluate __(13)C of vanillin in chocolate products and industrial flavorings is presented. The method applies the determination of stable isotopes of carbon to discriminate between natural vanillin from vanilla beans and vanillin from other sources (mixtures from beans, synthesis, or biotechnology). A series of 13 chocolate bars and chocolate snack foods available on the Italian market and 8 vanilla flavorings derived from industrial quality control processes were analyzed. Only 30% of products considered in this work that declared ""vanilla"" on the label showed data that permitted the declaration ""vanilla"" according to European Union (EU) Regulation 1334/2008. All samples not citing ""vanilla"" or ""natural flavoring"" on the label gave the correct declaration. The extraction method is presented with data useful for statistical evaluation. ",Easy Extraction Method To Evaluate __13C Vanillin by Liquid Chromatography-Isotopic Ratio Mass Spectrometry in Chocolate Bars and Chocolate Snack Foods.,"['Benzaldehydes', 'Cacao', 'Carbon Isotopes', 'Chemical Fractionation', 'Chromatography, High Pressure Liquid', 'Flavoring Agents', 'Mass Spectrometry', 'Plant Extracts', 'Snacks', 'Vanilla']","['analysis', 'chemistry', 'chemistry', 'methods', 'instrumentation', 'analysis', 'methods', 'chemistry', None, 'chemistry']",0.0,cocoa,0.04081632653061224,"['__', 'carbon']",1,2
30007697,"Fermentation and drying are the two crucial processing steps required to produce cocoa beans with desired properties, especially taste and flavor. To understand their impact on the lipid profile of cocoa, the lipid composition of unfermented raw and fermented dried beans from six different origins was investigated using high-performance liquid chromatography-mass spectrometry methods. While the comparison of triacylglycerol profiles across the different origins showed only small variations in individual compound concentrations, the comparison along the fermentation status showed major differences regarding the occurrence of polar lipids. These compounds may serve as biomarkers for the fermentation status of the beans and a simple analytical method suitable for field trials is proposed. Finally, a hypothesis identifying key unsaturated triacylglycerols contributing to the hardness and softness of cocoa butter is presented.",Variation of triacylglycerol profiles in unfermented and dried fermented cocoa beans of different origins.,[],[],2.0,cocoa,0.06976744186046512,"['triacylglycerols', 'triacylglycerol', 'cocoa butter']",1,3
3163354,"The primary aim of this study was to rank several reference foods (apple drink, caramel, chocolate, cookie, skimmed milk powder, snack cracker, and wheat flake) according to their plaque pH response as monitored in a panel of 12 volunteers by the plaque-sampling method for comparison with data previously reported with other methods used to assess cariogenicity potential. Secondary experiments (using subsets of the panel of subjects) were undertaken in an attempt to elucidate some of the reasons for the observed plaque pH changes. Oral carbohydrate retention was measured at a single time period after food use as total anthrone-positive carbohydrate material, and as specific acidogenic sugars by gas-liquid chromatography after gel-exclusion chromatography. The concentrations of acid anions in the plaque fluid after food consumption were measured by isotachophoresis eight min after food use. According to the plaque pH response, apple-flavored fruit drink and chocolate were the most acidogenic foods and skimmed milk powder the least acidogenic. There were significant correlations (p less than 0.05) between the plaque pH data and lactate-plus-acetate concentrations in plaque fluid, but the correlations between the pH data and any of the carbohydrate retention parameters were not significant.","The relationship between plaque pH, plaque acid anion profiles, and oral carbohydrate retention after ingestion of several 'reference foods' by human subjects.","['Acids', 'Adolescent', 'Adult', 'Anions', 'Cariogenic Agents', 'Dental Plaque', 'Dietary Carbohydrates', 'Food', 'Glucose', 'Humans', 'Hydrogen-Ion Concentration', 'Lactates', 'Mouth', 'Sucrose']","['metabolism', None, None, 'metabolism', None, 'metabolism', 'metabolism', None, 'metabolism', None, None, 'metabolism', 'metabolism', 'metabolism']",,cocoa,0.03125,"['carbohydrate', 'acid anions']",1,2
961063,"In Coca-powder fumigated with Ethylene Oxide-1,2(14)C, several derivatives were isolated by extraction and preparative Thin Layer Chromatography. Of the two compounds isolated from the water-extract, the structures have been suggested as N,N-Bis-(Di-Ethoxy-O-Hydroxy-ethyl)-Isoleucyl-Alanyl-Cysteine (MW = 569)and N-Ethoxy-O-Hydroxyethyl)-Tyrosine (MW = 269), based on I.R. and Mass Spectrometry. Their approximate concentrations were found to be 20 and 50 mg/kg respectively.","[Isolation of the Derivatives from Coca-Powder Fumigated by Ethylene Oxide 1,2-14 C and their Structure Suggested on the Basis of I. R. and Mass-Spectrometry].","['Amino Acids', 'Cacao', 'Chromatography, Thin Layer', 'Ethylenes', 'Molecular Weight', 'Peptides']","['isolation & purification', 'analysis', None, 'pharmacology', None, 'isolation & purification']",,cocoa,0.14285714285714285,"['N-Ethoxy-O-Hydroxyethyl)-Tyrosine', 'Ethylene', 'N,N-Bis-(Di-Ethoxy-O-Hydroxy-ethyl)-Isoleucyl-Alanyl-Cysteine']",1,3
1941565,"Both regular and decaffeinated coffees were found to have cholinomimetic actions when tested in urethane-anesthetized rats. These actions were distinct from those of caffeine and reversible by atropine. The bioactive fraction was purified from alcoholic extracts of instant decaffeinated coffee by liquid column chromatography and preparative TLC. The purified compound showed similar pharmacological actions as the starting material. Chromatographic behavior was further characterized by analytical TLC and HPLC. Chromatographic analyses of extracts of green coffee beans and roasted ground coffees showed that the cardioactive compound was only present in roasted coffees. Similar analyses of other commonly consumed beverages, including teas and cocoa, showed that this compound was not present in beverages besides coffee.",Coffee contains cholinomimetic compound distinct from caffeine. I: Purification and chromatographic analysis.,"['Acetylcholine', 'Animals', 'Atropine', 'Blood Pressure', 'Cacao', 'Chromatography, High Pressure Liquid', 'Chromatography, Thin Layer', 'Coffee', 'Male', 'Parasympathomimetics', 'Rats', 'Rats, Inbred Strains', 'Spectrophotometry, Ultraviolet', 'Tea']","['analysis', None, 'pharmacology', 'drug effects', 'analysis', None, None, 'analysis', None, 'analysis', None, None, None, 'analysis']",,cocoa,0.15,"['roasted coffees', 'atropine', 'cocoa', 'caffeine', 'decaffeinated coffees', 'green coffee beans and roasted ground coffees']",1,6
17440516,To investigate the intake of plant sterols and identify major dietary sources of plant sterols in the British diet.,Food sources of plant sterols in the EPIC Norfolk population.,"['Adult', 'Aged', 'Analysis of Variance', 'Bread', 'Chromatography, Gas', 'Cohort Studies', 'Cross-Sectional Studies', 'Databases, Factual', 'Diet Surveys', 'Dietary Fats', 'Edible Grain', 'Female', 'Food Analysis', 'Humans', 'Male', 'Middle Aged', 'Phytosterols', 'Prospective Studies', 'Sex Distribution', 'Surveys and Questionnaires', 'United Kingdom', 'Vegetables']","[None, None, None, None, 'methods', None, None, None, None, 'analysis', None, None, 'methods', None, None, None, 'administration & dosage', None, None, None, None, None]",0.0,cocoa,0.25,['sterols'],1,2
29885500,"The present study aims to quantify acrylamide in caffeinated beverages including American coffee, Lebanese coffee, espresso, instant coffee and hot chocolate, and to determine their carcinogenic and neurotoxic risks. A survey was carried for this purpose whereby 78% of the Lebanese population was found to consume at least one type of caffeinated beverages. Gas Chromatography Mass Spectrometry analysis revealed that the average acrylamide level in caffeinated beverages is 29,176____g/kg sample. The daily consumption of acrylamide from Lebanese coffee (10.9 __g/kg-bw/day), hot chocolate (1.2 __g/kg-bw/day) and Espresso (7.4 __g/kg-bw/day) was found to be higher than the risk intake for carcinogenicity and neurotoxicity as set by World Health Organization (WHO; 0.3-2 __g/kg-bw/day) at both the mean (average consumers) and high (high consumers) dietary exposures. On the other hand, American coffee (0.37 __g/kg-bw/day) was shown to pose no carcinogenic or neurotoxic risks among the Lebanese community for consumers with a mean dietary exposure. The study shows alarming results that call for regulating the caffeinated product industry by setting legislations and standard protocols for product preparation in order to limit the acrylamide content and protect consumers. In order to avoid carcinogenic and neurotoxic risks, we propose that WHO/FAO set acrylamide levels in caffeinated beverages to 7000____g acrylamide/kg sample, a value which is 4-folds lower than the average acrylamide levels of 29,176____g/kg sample found in caffeinated beverages sold in the Lebanese market. Alternatively, consumers of caffeinated products, especially Lebanese coffee and espresso, would have to lower their daily consumption to 0.3-0.4 cups/day.",Carcinogenic and neurotoxic risks of acrylamide consumed through caffeinated beverages among the lebanese population.,[],[],0.0,cocoa,0.07142857142857142,['acrylamide'],1,6
27700988,"In this work, an efficient method for preparative separation of procyanidins from raw cacao bean extract by high-speed counter-current chromatography (HSCCC) was developed. Under the optimized solvent system of n-hexane-ethyl acetate-water (1:50:50, v/v/v) with a combination of head-tail and tail-head elution modes, various procyanidins fractions with different polymerization degrees were successfully separated. UPLC, QTOF-MS and ",Preparative separation of cacao bean procyanidins by high-speed counter-current chromatography.,"['Antioxidants', 'Benzothiazoles', 'Biflavonoids', 'Biphenyl Compounds', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Countercurrent Distribution', 'Picrates', 'Plant Extracts', 'Proanthocyanidins', 'Solvents', 'Sulfonic Acids']","['chemistry', 'chemistry', 'chemistry', 'chemistry', 'chemistry', 'chemistry', 'methods', 'methods', 'chemistry', 'chemistry', 'chemistry', None, 'chemistry']",0.0,cocoa,0.14285714285714285,"['cacao bean extract', 'procyanidins']",1,3
25123980,"Cadmium (Cd) and lead (Pb) concentrations and their relationship to the cocoa content of chocolates commercialized in Brazil were evaluated by graphite furnace atomic absorption spectrometry (GF AAS) after microwave-assisted acid digestion. Several chemical modifiers were tested during method development, and analytical parameters, including the limits of detection and quantification as well as the accuracy and precision of the overall procedure, were assessed. The study examined 30 chocolate samples, and the concentrations of Cd and Pb were in the range of <1.7-107.6 and <21-138.4 ng/g, respectively. The results indicated that dark chocolates have higher concentrations of Cd and Pb than milk and white chocolates. Furthermore, samples with five different cocoa contents (ranging from 34 to 85%) from the same brand were analyzed, and linear correlations between the cocoa content and the concentrations of Cd (R(2) = 0.907) and Pb (R(2) = 0.955) were observed. The results showed that chocolate might be a significant source of Cd and Pb ingestion, particularly for children. ",Cadmium and lead in chocolates commercialized in Brazil.,"['Animals', 'Brazil', 'Cacao', 'Cadmium', 'Cattle', 'Food Contamination', 'Lead', 'Milk', 'Seeds']","[None, None, 'chemistry', 'analysis', None, 'analysis', 'analysis', 'chemistry', 'chemistry']",0.0,cocoa,0.1694915254237288,"['Cd', 'AAS', 'Cadmium', 'cocoa contents', 'Pb']",1,10
28460952,"Re-utilization of various agro-industrial wastes is of growing importance from many aspects. Considering the variety and complexity of such materials, compositional data and compliant methodology is still undergoing many updates and improvements. Present study evaluated sugar beet pulp (SBP), walnut shell (WS), cocoa bean husk (CBH), onion peel (OP) and pea pods (PP) as potentially valuable materials for carbohydrate recovery. Macrocomponent analyses revealed carbohydrate fraction as the most abundant, dominating in dietary fibres. Upon complete acid hydrolysis of sample alcohol insoluble residues, developed procedures of high performance thin-layer chromatography (HPTLC) and high performance liquid chromatography (HPLC) coupled with 3-methyl-1-phenyl-2-pyrazolin-5-one pre-column derivatization (PMP-derivatization) were used for carbohydrate monomeric composition determination. HPTLC exhibited good qualitative features useful for multi-sample rapid analysis, while HPLC superior separation and quantification characteristics. Distinctive monomeric patterns were obtained among samples. OP, SBP and CBH, due to the high galacturonic acid content (20.81%, 13.96% and 6.90% dry matter basis, respectively), may be regarded as pectin sources, while WS and PP as materials abundant in xylan-rich hemicellulose (total xylan content 15.53%, 9.63% dry matter basis, respectively). Present study provides new and valuable compositional data for different plant residual materials and a reference for the application of established methodology.",Compositional evaluation of selected agro-industrial wastes as valuable sources for the recovery of complex carbohydrates.,[],[],2.0,cocoa,0.1506849315068493,"['OP', '3-methyl-1-phenyl-2-pyrazolin-5-one pre-column derivatization', 'carbohydrate', 'PP', 'galacturonic acid', 'hemicellulose', 'pectin', 'alcohol']",1,11
19447973,"The US industry standard for shelf-life of whole milk powder (WMP) is 6 to 9 mo, although previous research has demonstrated flavor changes by 3 mo at ambient storage. This study evaluated the influence of packaging atmosphere, storage temperature, and storage time on WMP shelf-life using sensory and instrumental techniques. Two commercial batches of WMP were repackaged in plastic laminate pouches with air or nitrogen and stored at 2 degrees C or 23 degrees C for 1 yr. Descriptive analysis was conducted using a 10-member trained panel; volatile analysis was performed using solid-phase microextraction with gas chromatography-mass spectrometry. Consumer acceptance (n = 75) was conducted every 3 mo with reconstituted WMP and white and milk chocolate made from each treatment. Data were analyzed using ANOVA with Fisher's LSD, Pearson correlation analysis, and principal component analysis. Air-stored WMP had higher peroxide values, lipid oxidation volatiles, and grassy and painty flavors than nitrogen-flushed WMP. Storage temperature did not affect levels of straight chain lipid oxidation volatiles; 23 degrees C storage resulted in higher cooked and milkfat flavors and lower levels of grassy flavor compared with 2 degrees C storage. Consumer acceptance was negatively correlated with lipid oxidation volatiles and painty flavor. Nitrogen flushing prevented the development of painty flavor in WMP stored up to 1 yr at either temperature, resulting in chocolate with high consumer acceptance. Nitrogen flushing can be applied to extend the shelf life of WMP for use in chocolate; storage temperature also plays a role, but to a lesser extent.",Effect of nitrogen flushing and storage temperature on flavor and shelf-life of whole milk powder.,"['Adult', 'Animals', 'Cacao', 'Color', 'Food Handling', 'Food Technology', 'Humans', 'Middle Aged', 'Milk', 'Nitrogen', 'Oxygen', 'Peroxides', 'Principal Component Analysis', 'Taste', 'Temperature', 'Young Adult']","[None, None, 'standards', None, 'methods', None, None, None, 'chemistry', 'chemistry', 'analysis', 'analysis', None, None, None, None]",,cocoa,0.023255813953488372,"['peroxide', 'nitrogen']",1,2
22652759,"The enzyme chitinase from Moniliophthora perniciosa the causative agent of the witches' broom disease in Theobroma cacao, was partially purified with ammonium sulfate and filtration by Sephacryl S-200 using sodium phosphate as an extraction buffer. Response surface methodology (RSM) was used to determine the optimum pH and temperature conditions. Four different isoenzymes were obtained: ChitMp I, ChitMp II, ChitMp III and ChitMp IV. ChitMp I had an optimum temperature at 44-73__C and an optimum pH at 7.0-8.4. ChitMp II had an optimum temperature at 45-73__C and an optimum pH at 7.0-8.4. ChitMp III had an optimum temperature at 54-67__C and an optimum pH at 7.3-8.8. ChitMp IV had an optimum temperature at 60__C and an optimum pH at 7.0. For the computational biology, the primary sequence was determined in silico from the database of the Genome/Proteome Project of M. perniciosa, yielding a sequence with 564 bp and 188 amino acids that was used for the three-dimensional design in a comparative modeling methodology. The generated models were submitted to validation using Procheck 3.0 and ANOLEA. The model proposed for the chitinase was subjected to a dynamic analysis over a 1 ns interval, resulting in a model with 91.7% of the residues occupying favorable places on the Ramachandran plot and an RMS of 2.68.","Purification, characterization and structural determination of chitinases produced by Moniliophthora perniciosa.","['Agaricales', 'Amino Acid Sequence', 'Chitinases', 'Chromatography, Gel', 'Models, Biological', 'Molecular Sequence Data']","['enzymology', None, 'biosynthesis', None, None, None]",0.0,cocoa,0.07462686567164178,"['amino acids', 'sodium phosphate', 'Theobroma cacao', 'ANOLEA', 'ammonium sulfate']",1,5
19238621,"A survey was undertaken of aflatoxin B1 (AFB1), B2 (AFB2), G1 (AFG1), G2 (AFG2), ochratoxin A (OTA), and fumonisin B1 (FB1), B2 (FB2) and B3 (FB3) contamination of various retail foods in Japan during 2004-05. The mycotoxins were analysed by high-performance liquid chromatography (HPLC), liquid chromatography/mass spectrometry (LC/MS) or high-performance thin-layer chromatography (HPTLC). Aflatoxins (AFs) were detected in ten of 21 peanut butter and in 22 of 44 bitter chocolate samples; the highest level of AFB1, 2.59 microg kg(-1), was found in peanut butter. Aflatoxin contamination was not observed in corn products (n = 55), corn (n = 110), peanuts (n = 120), buckwheat flour (n = 23), dried buckwheat noodles (n = 59), rice (n = 83) or sesame oil (n = 20). OTA was detected in 120 out of 192 samples of oatmeal, wheat flour, rye, buckwheat flour, raw coffee, roasted coffee, raisin, beer, wine and bitter chocolate, but not in rice or corn products. OTA levels in the positive samples were below 13 microg kg(-1). AFs and OTA intakes through the consumption of foods containing cacao were estimated using the data for mycotoxin contamination in bitter chocolate and those for the consumption of foods containing cacao in Japan.",Aflatoxin and ochratoxin A contamination of retail foods and intake of these mycotoxins in Japan.,"['Adolescent', 'Aflatoxins', 'Age Factors', 'Cacao', 'Carcinogens', 'Child', 'Child, Preschool', 'Feeding Behavior', 'Food Analysis', 'Food Contamination', 'Humans', 'Infant', 'Mycotoxins', 'Ochratoxins', 'Young Adult']","[None, 'analysis', None, 'chemistry', 'analysis', None, None, None, 'methods', 'analysis', None, None, 'analysis', 'analysis', None]",,cocoa,0.2,"['ochratoxin A', 'OTA', 'mycotoxins', 'FB2', 'aflatoxin B1', 'fumonisin', 'Aflatoxins', 'AFG1', 'FB1', 'cacao', 'FB3', 'AFB2', 'Aflatoxin', 'sesame']",1,17
21663990,"This paper reports the occurrence of aflatoxigenic fungi and the presence of aflatoxins in 226 cocoa samples collected on Brazilian farms. The samples were taken at various stages of fermentation, drying and storage. A total of 819 potentially aflatoxigenic fungi were isolated using Dichloran 18% Glycerol agar after surface disinfection, and identified by standard techniques. The ability of the fungi to produce aflatoxins was determined using the agar plug technique and TLC. The presence of aflatoxins in cocoa samples was determined by HPLC using post-column derivatization with bromide after immunoaffinity column clean up. The aflatoxigenic fungi isolated were Aspergillus flavus, A. parasiticus and A. nomius. A considerable increase in numbers of these species was observed during drying and storage. In spite of the high prevalence of aflatoxigenic fungi, only low levels of aflatoxin were found in the cocoa samples, suggesting the existence of limiting factors to the accumulation of aflatoxins in the beans.",Aflatoxigenic fungi and aflatoxin in cocoa.,"['Aflatoxins', 'Aspergillus', 'Brazil', 'Cacao', 'Chromatography, High Pressure Liquid', 'Fermentation', 'Food Contamination', 'Food Handling']","['analysis', 'isolation & purification', None, 'microbiology', None, None, 'analysis', None]",1.0,cocoa,0.1509433962264151,"['bromide', 'post-column derivatization', 'aflatoxins', 'Glycerol', 'aflatoxin']",1,8
17164979,Long term cocoa ingestion leads to an increased resistance against UV-induced erythema and a lowered transepidermal water loss.,Consumption of flavanol-rich cocoa acutely increases microcirculation in human skin.,"['Adolescent', 'Adult', 'Aged', 'Beverages', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Cross-Over Studies', 'Dose-Response Relationship, Drug', 'Female', 'Flavonoids', 'Humans', 'Laser-Doppler Flowmetry', 'Microcirculation', 'Middle Aged', 'Skin', 'Spectrum Analysis']","[None, None, None, None, 'chemistry', 'administration & dosage', 'methods', None, None, None, 'administration & dosage', None, 'methods', 'drug effects', None, 'blood supply', 'methods']",0.0,cocoa,0.0,[],1,0
3369241,"The analytical application of direct pyrolysis (Py) field ionization (FI)-mass spectrometry (MS) und Curie-point pyrolysis gas chromatography-mass spectrometry (Py-GC/FIMS) to various whole foodstuffs is described for the first time. The former technique yields highly differentiated information from the sample in typically 15 min, namely the molecular weight distribution of released volatiles and pyrolysis products in a single spectrum which, owing to the good reproducibility and high significance of the resulting data, has previously been shown to be suitable for the application of chemometric methods. Such mass spectral peaks are further characterized and assigned by high resolution mass measurement and/or by electron ionization after Curie-point pyrolysis and gas chromatographic separation of the components. In this first report, typical results are presented for ground roasted coffee, rosehip tea, wheatmeal biscuit, chocolate drink powder and milk chocolate. The FI mass spectrum obtained from the latter sample is compared with those obtained using the complementary soft ionization techniques of chemical ionization (CI) and direct chemical ionization (DCI).",Fast profiling of food by analytical pyrolysis.,"['Animals', 'Cacao', 'Coffee', 'Food Analysis', 'Gas Chromatography-Mass Spectrometry', 'Hot Temperature', 'Milk', 'Spectrum Analysis', 'Tea']","[None, 'analysis', 'analysis', 'methods', 'methods', None, 'analysis', 'methods', 'analysis']",,cocoa,0.023255813953488372,"['roasted coffee, rosehip tea']",1,1
17245391,"Indigenous people of the Torres Strait Islands have been concerned about the safety of their traditional seafoods since the discovery of high cadmium levels in the liver and kidney of dugong and turtle in 1996. This study explored links between urinary cadmium levels and consumption frequency of these traditional foods and piloted a community-based methodology to identify potential determinants of cadmium exposure and accumulation. Consultations led to selection of one community for study from which 60 women aged 30 to 50 years participated in health and food frequency survey, urine collection and a routine health check. Urinary cadmium levels were determined by inductively coupled plasma-mass spectrometry; data were analysed using SPSS-14. The geometric mean cadmium level in this group of women was 1.17 (arithmetic mean 1.86) microg/g creatinine with one-third exceeding 2.0 microg/g creatinine. Heavy smoking (>or=300 pack years) was linked to higher cadmium in urine, as was increasing age and waist circumference. Analysis of age-adjusted residuals revealed significant associations (P<0.05) between cadmium level and higher consumption of turtle liver and kidney, locally gathered clams, peanuts, coconut, chocolate and potato chips. Dugong kidney consumption approached significance (P=0.06). Multiple regression revealed that 40% (adjusted r(2)) of variation in cadmium level was explained by the sum of these associated foods plus heavy smoking, age and waist circumference. No relationships between cadmium and pregnancy history were found. This paper presents a novel approach to explore contributions of foods and other factors to exposure to toxins at community level and the first direct evidence that frequent turtle (and possibly dugong) liver and kidney and wild clam consumption is linked to higher urinary cadmium levels among Torres Strait Islander women.",Exploring potential dietary contributions including traditional seafood and other determinants of urinary cadmium levels among indigenous women of a Torres Strait Island (Australia).,"['Adult', 'Animals', 'Australia', 'Bivalvia', 'Cadmium', 'Diet', 'Dugong', 'Environmental Monitoring', 'Environmental Pollutants', 'Female', 'Food Contamination', 'Humans', 'Kidney', 'Liver', 'Middle Aged', 'Population Groups', 'Seafood', 'Turtles']","[None, None, None, None, 'urine', None, None, None, 'urine', None, None, None, None, None, None, None, None, None]",0.0,cocoa,0.12745098039215685,"['cadmium', 'smoking', 'creatinine']",1,13
22483203,"The characterization and authentication of fats and oils is a subject of great importance for market and health aspects. Identification and quantification of triacylglycerols in fats and oils can be excellent tools for detecting changes in their composition due to the mixtures of these products. Most of the triacylglycerol species present in either fats or oils could be analyzed and identified by chromatographic methods. However, the natural variability of these samples and the possible presence of adulterants require the application of chemometric pattern recognition methods to facilitate the interpretation of the obtained data. In view of the growing interest in this topic, this paper reviews the literature of the application of exploratory and unsupervised/supervised chemometric methods on chromatographic data, using triacylglycerol composition for the characterization and authentication of several foodstuffs such as olive oil, vegetable oils, animal fats, fish oils, milk and dairy products, cocoa and coffee.",Combining chromatography and chemometrics for the characterization and authentication of fats and oils from triacylglycerol compositional data--a review.,"['Chromatography, Gas', 'Chromatography, High Pressure Liquid', 'Chromatography, Thin Layer', 'Discriminant Analysis', 'Fats', 'Food Analysis', 'Mass Spectrometry', 'Oils', 'Principal Component Analysis', 'Triglycerides']","[None, None, None, None, 'analysis', 'methods', None, 'analysis', None, 'analysis']",0.0,cocoa,0.058823529411764705,"['triacylglycerols', 'triacylglycerol']",1,3
10435077,"A survey on the potential intake of caffeine was carried out in Campinas, SP, Brazil, in the summer of 1993. The survey was based on a representative sample of 600 individuals, 9-80 years old, who were asked about their habitual usage of coffee, tea, chocolate products and carbonated beverages. Caffeine levels in the products were determined by high performance liquid chromatography with a UV-visible detector at 254 nm. Individual daily intakes (mg/kg b.w.) of caffeine were calculated from the consumption data generated by the survey and the caffeine content of the analysed products. Of all those interviewed, 81% consumed soft drinks regularly, 75% coffee, 65% chocolate products and 37% tea. Of the analysed products, coffee showed the highest amount of caffeine. The average and median potential daily intake of caffeine by the studied population were, respectively, 2.74 and 1.85 mg/kg b.w. Coffee, tea, chocolate products and carbonated beverages accounted for median individual daily intakes of 1.90, 0.32, 0.19, and 0.19 mg/kg b.w., respectively. These data show that coffee is the most important vehicle for caffeine intake within the studied population.",Caffeine daily intake from dietary sources in Brazil.,"['Adolescent', 'Adult', 'Age Distribution', 'Aged', 'Aged, 80 and over', 'Beverages', 'Brazil', 'Cacao', 'Caffeine', 'Central Nervous System Stimulants', 'Child', 'Coffee', 'Diet Surveys', 'Feeding Behavior', 'Female', 'Humans', 'Male', 'Middle Aged', 'Tea']","[None, None, None, None, None, 'analysis', None, 'chemistry', 'administration & dosage', 'administration & dosage', None, 'chemistry', None, None, None, None, None, None, 'chemistry']",,cocoa,0.15254237288135594,"['Caffeine', 'coffee', 'caffeine', 'SP']",1,9
18665334,"This study analyzed boron content in commonly consumed foods by Koreans. Boron content was analyzed on 299 different foods using inductively coupled plasma atomic emission spectroscopy. The content of boron in cereals, potatoes, starches, sugars, and confectionaries was 1.11 to 828.56 microg per 100 g. As for beans, nuts, and seeds, the content of boron in acorn starch jelly was 66.15 microg per 100 g and in soybeans 1,642.50 microg per 100 g. In fruits, records show 5.29 to 390.13 microg per 100 g. The content of boron in vegetables was 17.45 to 420.55 microg per 100 g and in mushrooms 2.97 to 526.38 microg per 100 g. As for meats, eggs, milks, and oils, it posted 1.48 to 110.01 microg per 100 g. Fishes, shellfishes, and seaweeds contained 1.20 to 6,300.83 microg per 100 g of boron. Beverages, liquors, seasonings, and processed foods posted 1.06 microg per 100 g in corn cream soup and 2,026.49 microg per 100 g in cocoa. It is suggested that the data for the analysis of boron content in foods need to be more diversified and a reliable food database needs to be compiled based on the findings of the study to accurately determine boron consumption.",Analysis of boron content in frequently consumed foods in Korea.,"['Beverages', 'Boron', 'Edible Grain', 'Fabaceae', 'Food Analysis', 'Fruit', 'Korea', 'Nuts', 'Spectrophotometry, Atomic', 'Vegetables']","['analysis', 'analysis', 'chemistry', 'chemistry', 'methods', 'chemistry', None, 'chemistry', None, 'chemistry']",1.0,cocoa,0.14925373134328357,"['starches', 'sugars', 'confectionaries', 'boron']",1,10
21279669,"Gallic acid (GA), a key intermediate in the synthesis of plant hydrolysable tannins, is also a primary anti-inflammatory, cardio-protective agent found in wine, tea, and cocoa. In this publication, we reveal the identity of a gene and encoded protein essential for GA synthesis. Although it has long been recognized that plants, bacteria, and fungi synthesize and accumulate GA, the pathway leading to its synthesis was largely unknown. Here we provide evidence that shikimate dehydrogenase (SDH), a shikimate pathway enzyme essential for aromatic amino acid synthesis, is also required for GA production. Escherichia coli (E. coli) aroE mutants lacking a functional SDH can be complemented with the plant enzyme such that they grew on media lacking aromatic amino acids and produced GA in vitro. Transgenic Nicotiana tabacum lines expressing a Juglans regia SDH exhibited a 500% increase in GA accumulation. The J. regia and E. coli SDH was purified via overexpression in E. coli and used to measure substrate and cofactor kinetics, following reduction of NADP(+) to NADPH. Reversed-phase liquid chromatography coupled to electrospray mass spectrometry (RP-LC/ESI-MS) was used to quantify and validate GA production through dehydrogenation of 3-dehydroshikimate (3-DHS) by purified E. coli and J. regia SDH when shikimic acid (SA) or 3-DHS were used as substrates and NADP(+) as cofactor. Finally, we show that purified E. coli and J. regia SDH produced GA in vitro.",Mechanism of gallic acid biosynthesis in bacteria (Escherichia coli) and walnut (Juglans regia).,"['Alcohol Oxidoreductases', 'Chromatography, Reverse-Phase', 'Escherichia coli', 'Gallic Acid', 'Gene Expression Regulation, Plant', 'Juglans', 'Oxidation-Reduction', 'Plants, Genetically Modified', 'Shikimic Acid', 'Spectrometry, Mass, Electrospray Ionization', 'Tobacco']","['metabolism', None, 'genetics', 'metabolism', None, 'genetics', None, 'genetics', 'analogs & derivatives', None, 'genetics']",0.0,cocoa,0.13793103448275862,"['Gallic acid', 'NADPH', 'GA', 'shikimic acid', '3-dehydroshikimate', 'shikimate', 'aromatic amino acid', 'aromatic amino acids', 'SA', 'plant hydrolysable tannins']",1,12
2068794,"A high pressure liquid chromatographic (HPLC) method for measuring the theobromine content in cocoa husks, pelleted food and horse urine is described. Starting with 2 ml of urine, concentrations of 500 ng/ml could easily be detected. When feed containing 38.4 mg of theobromine was given twice daily to horses for 2 1/2 days, two days were needed after the last intake before the theobromine concentrations fell below the threshold value of 2 micrograms/ml. The time at which the peak excretion rate occurred varied from 2 to 12 h after the last administration, while the excretion rate seemed to be dependent on the urinary flow. Theobromine could not be detected in plasma after administration in this way.",Urinary excretion of theobromine in horses given contaminated pelleted food.,"['Animal Feed', 'Animals', 'Chromatography, High Pressure Liquid', 'Doping in Sports', 'Female', 'Food Contamination', 'Horses', 'Theobromine']","['analysis', None, None, None, None, None, 'metabolism', 'pharmacokinetics']",,cocoa,0.15625,"['theobromine', 'cocoa husks', 'Theobromine']",1,5
26525240,"An HPTLC method is proposed to permit effective screening for the presence of three phosphodiesterase type 5 inhibitors (PDE5-Is; sildenafil, vardenafil, and tadalafil) and eight of their analogs (hydroxyacetildenafil, homosildenafil, thiohomosildenafil, acetildenafil, acetaminotadalafil, propoxyphenyl hydroxyhomosildenafil, hydroxyhomosildenafil, and hydroxythiohomosildenafil) in finished products, including tablets, capsules, chocolate, instant coffee, syrup, and chewing gum. For all the finished products, the same simple sample preparation may be applied: ultrasound-assisted extraction in 10 mL methanol for 30 min followed by centrifugation. The Rf values of individual HPTLC bands afford preliminary identification of potential PDE5-Is. Scanning densitometry capabilities enable comparison of the unknown UV spectra with those of known standard compounds and allow further structural insight. Mass spectrometric analysis of the material derived from individual zones supplies an additional degree of confidence. Significantly, the proposed screening technique allows focus on the already known PDE5 Is and provides a platform for isolation and chemical categorization of the newly-synthesized analogs. Furthermore, the scope could be expanded to other therapeutic categories (e.g., analgesics, antidiabetics, and anorexiants) that are occasionally coadulterated along with the PDE5-Is. The method was successfully applied to screening of 45 commercial lifestyle products. Of those, 31 products tested positive for at least one illegal component (sildenafil, tadalafil, propoxyphenyl hydroxyhomosildenafil, or dimethylsildenafil). ",Simultaneous Detection of Three Phosphodiesterase Type 5 Inhibitors and Eight of Their Analogs in Lifestyle Products and Screening for Adulterants by High-Performance Thin-Layer Chromatography.,"['Cacao', 'Capsules', 'Chewing Gum', 'Chromatography, Thin Layer', 'Coffee', 'Counterfeit Drugs', 'Humans', 'Liquid-Liquid Extraction', 'Mass Spectrometry', 'Methanol', 'Phosphodiesterase 5 Inhibitors', 'Sildenafil Citrate', 'Solvents', 'Tablets', 'Tadalafil', 'Vardenafil Dihydrochloride']","['chemistry', None, 'analysis', None, 'chemistry', 'analysis', None, None, None, 'chemistry', 'isolation & purification', 'analogs & derivatives', 'chemistry', None, 'analogs & derivatives', 'analogs & derivatives']",,cocoa,0.11842105263157894,"['coadulterated', 'syrup', 'PDE5', 'sildenafil', 'vardenafil', 'methanol', 'tadalafil']",1,9
12696960,"Partial least squares regression (PLSR) models able to predict some of the wine aroma nuances from its chemical composition have been developed. The aromatic sensory characteristics of 57 Spanish aged red wines were determined by 51 experts from the wine industry. The individual descriptions given by the experts were recorded, and the frequency with which a sensory term was used to define a given wine was taken as a measurement of its intensity. The aromatic chemical composition of the wines was determined by already published gas chromatography (GC)-flame ionization detector and GC-mass spectrometry methods. In the whole, 69 odorants were analyzed. Both matrixes, the sensory and chemical data, were simplified by grouping and rearranging correlated sensory terms or chemical compounds and by the exclusion of secondary aroma terms or of weak aroma chemicals. Finally, models were developed for 18 sensory terms and 27 chemicals or groups of chemicals. Satisfactory models, explaining more than 45% of the original variance, could be found for nine of the most important sensory terms (wood-vanillin-cinnamon, animal-leather-phenolic, toasted-coffee, old wood-reduction, vegetal-pepper, raisin-flowery, sweet-candy-cacao, fruity, and berry fruit). For this set of terms, the correlation coefficients between the measured and predicted Y (determined by cross-validation) ranged from 0.62 to 0.81. Models confirmed the existence of complex multivariate relationships between chemicals and odors. In general, pleasant descriptors were positively correlated to chemicals with pleasant aroma, such as vanillin, beta damascenone, or (E)-beta-methyl-gamma-octalactone, and negatively correlated to compounds showing less favorable odor properties, such as 4-ethyl and vinyl phenols, 3-(methylthio)-1-propanol, or phenylacetaldehyde.",Prediction of aged red wine aroma properties from aroma chemical composition. Partial least squares regression models.,"['Chromatography, Gas', 'Gas Chromatography-Mass Spectrometry', 'Humans', 'Least-Squares Analysis', 'Models, Chemical', 'Odorants', 'Regression Analysis', 'Taste', 'Wine']","[None, None, None, None, None, 'analysis', None, None, 'analysis']",0.0,cocoa,0.07228915662650602,"['berry fruit', '3-(methylthio)-1-propanol', 'phenylacetaldehyde', 'vanillin', 'vinyl phenols', 'damascenone']",1,6
29655735,"Fifty-six cocoa bean samples from different origins and status of fermentation were analyzed by a validated hydrophilic interaction liquid chromatography-electrospray ionization-time of flight-mass spectrometry (HILIC-ESI-TOF-MS) method. The profile of the low molecular weight carbohydrate (LMWC) was analyzed by high resolution and tandem mass spectrometry, which allowed the identification of mono-, di-, tri- and tetrasaccharides, sugar alcohols and iminosugars. This study provides, for the first time in a large set of samples, a comprehensive absolute quantitative data set for the carbohydrates identified in cocoa beans (fructose, glucose, mannitol, myo-inositol, sucrose, melibiose, raffinose and stachyose). Differences in the content of carbohydrates were observed between unfermented (range of 0.9-4.9__g/g DM) and fermented (range 0.1-0.5__g/g DM) cocoa beans. The use of multivariate statistical tools allowed the identification of biomarkers suitable for cocoa bean classification according to the status of fermentation, procedure of fermentation employed and number of days of fermentation.","Profiling, quantification and classification of cocoa beans based on chemometric analysis of carbohydrates using hydrophilic interaction liquid chromatography coupled to mass spectrometry.",[],[],1.0,cocoa,0.2413793103448276,"['fructose', 'tetrasaccharides', 'sucrose', '0.9-4.9__\x8fg/g DM', 'carbohydrates', 'glucose', 'myo-inositol', 'stachyose', 'carbohydrate', 'DM) cocoa beans', 'tri-', 'mannitol', 'melibiose']",1,14
26961599,"Metabolomics is used to assess the compliance and bioavailability of food components, as well as to evaluate the metabolic changes associated with food consumption. This study aimed to analyze the effect of consuming ready-to-eat meals containing a cocoa extract, within an energy restricted diet on urinary metabolomic changes. Fifty middle-aged volunteers [30.6 (2.3) kg m(-2)] participated in a 4-week randomised, parallel and double-blind study. Half consumed meals supplemented with 1.4 g of cocoa extract (645 mg polyphenols) while the remaining subjects received meals without cocoa supplementation. Ready-to-eat meals were included within a 15% energy restricted diet. Urine samples (24 h) were collected at baseline and after 4 weeks and were analyzed by high-performance-liquid chromatography-time-of-flight-mass-spectrometry (HPLC-TOF-MS) in negative and positive ionization modes followed by multivariate analysis. The relationship between urinary metabolites was evaluated by the Spearman correlation test. Interestingly, the principal component analysis discriminated among the baseline group, control group at the endpoint and cocoa group at the endpoint (p < 0.01), although in the positive ionization mode the baseline and control groups were not well distinguished. Metabolites were related to theobromine metabolism (3-methylxanthine and 3-methyluric acid), food processing (L-beta-aspartyl-L-phenylalanine), flavonoids (2,5,7,3',4'-pentahydroxyflavanone-5-O-glucoside and 7,4'-dimethoxy-6-C-methylflavanone), catecholamine (3-methoxy-4-hydroxyphenylglycol-sulphate) and endogenous metabolism (uridine monophosphate). These metabolites were present in higher (p < 0.001) amounts in the cocoa group. 3-Methylxanthine and l-beta-aspartyl-L-phenylalanine were confirmed with standards. Interestingly, 3-methoxy-4-hydroxyphenylglycol-sulphate was positively correlated with 3-methylxanthine (rho = 0.552; p < 0.001) and 7,4'-dimethoxy-6-C-methylflavanone (rho = 447; p = 0.002). In conclusion, the metabolomic approach supported the compliance of the volunteers with the intervention and suggested the bioavailability of cocoa compounds within the meals.",The urinary metabolomic profile following the intake of meals supplemented with a cocoa extract in middle-aged obese subjects.,"['Aged', 'Aged, 80 and over', 'Cacao', 'Chromatography, High Pressure Liquid', 'Dietary Supplements', 'Double-Blind Method', 'Female', 'Humans', 'Male', 'Mass Spectrometry', 'Metabolomics', 'Middle Aged', 'Obesity', 'Plant Extracts']","[None, None, 'chemistry', None, 'analysis', None, None, None, None, None, None, None, 'diet therapy', 'analysis']",0.0,cocoa,0.18478260869565216,"['polyphenols', '3-Methylxanthine', 'cocoa', '3-methyluric acid', 'theobromine', 'flavonoids', ""7,4'-dimethoxy-6-C-methylflavanone"", 'L-beta-aspartyl-L-phenylalanine', 'uridine monophosphate', ""2,5,7,3',4'-pentahydroxyflavanone-5-O-glucoside"", '3-methylxanthine', 'l-beta-aspartyl-L-phenylalanine', 'catecholamine', 'cocoa extract']",1,17
676517,"The nickel content of 260 samples from various types of foods available in the Netherlands was measured by means of flameless atomic absorption spectrometry. In most samples the nickel content was found to be less than 0.5 mg/kg. Two products contained considerably more nickel than all the other foodstuffs, viz. nuts and cacao products, in which nickel concentrations up to 5.1 and 9.8 mg/kg, respectively, were measured. Occasionally nickel contents above 1 mg/kg were found in margarine and sauces.",Nickel content of various Dutch foodstuffs.,"['Beverages', 'Cacao', 'Edible Grain', 'Food Analysis', 'Meat', 'Netherlands', 'Nickel', 'Nuts', 'Spectrophotometry, Atomic', 'Vegetables']","['analysis', 'analysis', 'analysis', 'methods', 'analysis', None, 'analysis', 'analysis', 'methods', 'analysis']",,cocoa,0.2857142857142857,"['margarine', 'nickel']",1,6
7085542,"A collaborative study was conducted using a modified AOAC method (sugars in chocolate) for the determination of fructose, glucose, sucrose, and maltose in presweetened cereals by high pressure liquid chromatography (HPLC). Eight samples consisting of 6 products were analyzed in duplicate by the HPLC method and the AOAC Lane-Eynon method. The AOAC method was modified to use water-alcohol (1 + 1) and Sep-Pak C18 cartridges for sample cleanup. The HPLC results indicate precision comparable to the lane-Eynon method and the chocolate method. The modified HPLC method has been adopted official first action.",High pressure liquid chromatographic determination of mono- and disaccharides in presweetened cereals: Collaborative study.,"['Chromatography, High Pressure Liquid', 'Disaccharides', 'Edible Grain', 'Monosaccharides']","['methods', 'analysis', 'analysis', 'analysis']",,cocoa,0.16129032258064516,"['fructose', 'water-alcohol', 'sucrose', 'glucose', 'maltose']",1,5
11339267,"Individual and geographical variations in ochratoxin A (OA) levels in human blood and milk samples may be due to differences in dietary habits. The purpose of this study was to examine the relationship between OA contamination of human milk and dietary intake. Human milk samples were collected from 80 Norwegian women. The usual food intake during the last year was recorded using a quantitative food frequency questionnaire. The concentration of OA in the human milk was determined by HPLC (detection limit 10 ng/l). Seventeen (21%) out of 80 human milk samples contained OA in the range 10-182 ng/l. The women with a high dietary intake of liver paste (liverwurst, liver p¢t©) and cakes (cookies, fruitcakes, chocolate cakes, etc.) were more likely to have OA-contaminated milk. The risk of OA contamination was also increased by the intake of juice (all kinds). In addition, the results indicate that breakfast cereals, processed meat products, and cheese could be important contributors to dietary OA intake. OA contamination of the milk was unrelated to smoking, age, parity, and anthropometric data other than body weight.",Presence of ochratoxin A in human milk in relation to dietary intake.,"['Adult', 'Body Height', 'Body Mass Index', 'Body Weight', 'Carcinogens', 'Chi-Square Distribution', 'Chromatography, High Pressure Liquid', 'Diet', 'Diet Records', 'Female', 'Humans', 'Logistic Models', 'Milk, Human', 'Ochratoxins', 'Seasons', 'Statistics, Nonparametric']","[None, None, None, None, 'analysis', None, None, None, None, None, None, None, 'chemistry', 'analysis', None, None]",,cocoa,0.046875,"['ochratoxin A', 'OA', 'smoking']",1,3
27454854,"Matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS) is a powerful biotyping tool increasingly used for high-throughput identification of clinical microbial isolates, however, in food fermentation research this approach is still not well established. This study examines the microbial biodiversity of cocoa bean fermentation based on the isolation of micro-organisms in cocoa-producing regions, followed by MALDI-TOF MS in Switzerland. A preceding 6-week storage test to mimic lengthy transport of microbial samples from cocoa-producing regions to Switzerland was performed with strains of Lactobacillus plantarum, Acetobacter pasteurianus and Saccharomyces cerevisiae. Weekly MALDI-TOF MS analysis was able to successfully identify microbiota to the species level after storing live cultures on slant agar at mild temperatures (7_C) and/or in 75% aqueous ethanol at differing temperatures (-20, 7 and 30_C). The efficacy of this method was confirmed by on-site recording of the microbial biodiversity in cocoa bean fermentation in Bolivia and Brazil, with a total of 1126 randomly selected isolates. MALDI-TOF MS analyses revealed known dominant cocoa bean fermentation species with Lact.__plantarum and Lactobacillus fermentum in the lactic acid bacteria taxon, Hanseniaspora opuntiae and S.__cerevisiae in the yeast taxon, and Acet.__pasteurianus, Acetobacter fabarum, Acetobacter ghanensis and Acetobacter senegalensis in the acetic acid bacteria taxon.",High-throughput identification of the microbial biodiversity of cocoa bean fermentation by MALDI-TOF MS.,"['Acetic Acid', 'Bacteria', 'Bacterial Typing Techniques', 'Bolivia', 'Brazil', 'Cacao', 'Ethanol', 'Fermentation', 'Microbiota', 'Mycological Typing Techniques', 'Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization', 'Yeasts']","[None, 'isolation & purification', None, None, None, 'microbiology', None, None, None, None, 'methods', 'isolation & purification']",0.0,cocoa,0.045454545454545456,"['acetic acid bacteria', 'lactic acid bacteria taxon', 'aqueous ethanol']",1,3
19187022,"Food and beverages rich in polyphenols with antioxidant activity are highlighted as a potential factor for risk reduction of lifestyle related diseases. This study was conducted to elucidate total polyphenol consumption from beverages in Japanese people. Total polyphenol (TP) contents in beverages were measured using a modified Folin-Ciocalteu method removing the interference of reduced sugars by using reverse-phase column chromatography. A beverage consumption survey was conducted in the Tokyo and Osaka areas in 2004. Randomly selected male and female subjects (10-59 years old, n = 8768) recorded the amounts and types of all nonalcoholic beverages consumed in a week. Concentration of TP in coffee, green tea, black tea, Oolong tea, barley tea, fruit juice, tomato/vegetable juice, and cocoa drinks were at 200, 115, 96, 39, 9, 34, 69, and 62 mg/100 mL, respectively. Total consumption of beverages in a Japanese population was 1.11 +/- 0.51 L/day, and TP contents from beverages was 853 +/- 512 mg/day. Coffee and green tea shared 50% and 34% of TP consumption in beverages, respectively, and contribution of each of the other beverages was less than 10%. TP contents in 20 major vegetables and 5 fruits were 0-49 mg and 2-55 mg/100 g, respectively. Antioxidant activities, Cu reducing power, and scavenging activities for DPPH and superoxide, of those samples correlated to the TP contents (p < 0.001). Beverages, especially coffee, contributed to a large share of the consumption of polyphenols, as antioxidants, in the Japanese diet.",Coffee and green tea as a large source of antioxidant polyphenols in the Japanese population.,"['Adolescent', 'Adult', 'Antioxidants', 'Beverages', 'Child', 'Coffee', 'Diet', 'Female', 'Flavonoids', 'Fruit', 'Humans', 'Japan', 'Male', 'Middle Aged', 'Phenols', 'Polyphenols', 'Tea', 'Vegetables', 'Young Adult']","[None, None, 'administration & dosage', 'analysis', None, 'chemistry', None, None, 'administration & dosage', 'chemistry', None, None, None, None, 'administration & dosage', None, 'chemistry', 'chemistry', None]",0.0,cocoa,0.15384615384615385,"['superoxide', 'polyphenols', 'Oolong tea', 'sugars', 'green tea', 'coffee, green tea', 'polyphenol', 'TP', 'Cu', 'Coffee']",1,12
28241034,"For the first time in the literature, our group has managed to demonstrate the existence of plant RNAs in honey samples. In particular, in our work, different RNA extraction procedures were performed in order to identify a purification method for nucleic acids from honey. Purity, stability and integrity of the RNA samples were evaluated by spectrophotometric, PCR and electrophoretic analyses. Among all honey RNAs, we specifically revealed the presence of both plastidial and nuclear plant transcripts: RuBisCO large subunit mRNA, maturase K messenger and 18S ribosomal RNA. Surprisingly, nine plant microRNAs (miR482b, miR156a, miR396c, miR171a, miR858, miR162a, miR159c, miR395a and miR2118a) were also detected and quantified by qPCR. In this context, a comparison between microRNA content in plant samples (i.e. flowers, nectars) and their derivative honeys was carried out. In addition, peculiar microRNA profiles were also identified in six different monofloral honeys. Finally, the same plant microRNAs were investigated in other plant food products: tea, cocoa and coffee. Since plant microRNAs introduced by diet have been recently recognized as being able to modulate the consumer's gene expression, our research suggests that honey's benefits for human health may be strongly correlated to the bioactivity of plant microRNAs contained in this matrix.",Detection of plant microRNAs in honey.,"['Antioxidants', 'Cacao', 'Camellia', 'Coffea', 'Endoribonucleases', 'Flowers', 'Honey', 'MicroRNAs', 'Nucleotidyltransferases', 'Plants', 'Polymerase Chain Reaction', 'RNA, Plant', 'RNA, Ribosomal, 18S', 'Real-Time Polymerase Chain Reaction', 'Ribulose-Bisphosphate Carboxylase', 'Sequence Analysis, RNA', 'Spectrophotometry']","['metabolism', 'genetics', 'genetics', 'genetics', 'genetics', 'genetics', 'analysis', None, 'genetics', 'genetics', None, None, 'genetics', None, 'genetics', None, None]",0.0,cocoa,0.027777777777777776,"['acids', 'K']",1,2
9757560,"The antiulcer activity of cacao liquor water-soluble crude polyphenols (CWSP) was examined. CWSP, alpha-tocopherol, sucralfate (500 mg/kg), and cimetidine (250 mg/kg) were orally administered to male SD rats 30 minutes before ethanol treatment. 5 ml/kg of ethanol given intragastrically caused lesions in mucosa of the glandular stomach. CWSP caused a reduction of such hemorrhagic lesions as well as cimetidine and sucralfate which are typical antiulcer drugs, but alpha-tocopherol was less effective. Thiobarbituric acid reactive substances in gastric mucosa significantly increased with ethanol administration. CWSP treatment significantly reduced this change. The administration of ethanol extensively increased myeloperoxidase (MPO) but not xanthine oxidase (XOD) activity. CWSP reduced the activities of both enzymes; they were considered the main sources of oxygen radicals. According to an in vitro study, CWSP directly reducted XOD but not MPO. These results suggest that the antiulcer mechanism of CWSP was not only radical scavenging but also modulation of leukocyte function.",Effects of polyphenol substances derived from Theobroma cacao on gastric mucosal lesion induced by ethanol.,"['Animals', 'Anti-Ulcer Agents', 'Antioxidants', 'Cacao', 'Chromatography, High Pressure Liquid', 'Cimetidine', 'Dose-Response Relationship, Drug', 'Ethanol', 'Flavonoids', 'Gastric Mucosa', 'Lipid Peroxidation', 'Male', 'Peroxidase', 'Phenols', 'Polymers', 'Polyphenols', 'Rats', 'Rats, Sprague-Dawley', 'Stomach Ulcer', 'Sucralfate', 'Thiobarbituric Acid Reactive Substances', 'Uric Acid', 'Vitamin E', 'Xanthine Oxidase']","[None, 'pharmacology', 'metabolism', 'metabolism', None, 'pharmacology', None, 'adverse effects', None, 'drug effects', None, None, 'antagonists & inhibitors', 'pharmacology', 'pharmacology', None, None, None, 'drug therapy', 'pharmacology', 'analysis', 'analysis', 'pharmacology', 'antagonists & inhibitors']",0.0,cocoa,0.26666666666666666,"['polyphenols', 'Thiobarbituric acid', 'alpha-tocopherol', 'ethanol', 'xanthine', 'sucralfate', 'cimetidine', 'XOD', 'oxygen', 'cacao liquor']",1,16
18172716,"Oxalic acid has been shown as a virulence factor for some phytopathogenic fungi, removing calcium from pectin and favoring plant cell wall degradation. Recently, it was published that calcium oxalate accumulates in infected cacao tissues during the progression of Witches' Broom disease (WBD). In the present work we report that the hemibiotrophic basidiomycete Moniliophthora perniciosa, the causal agent of WBD, produces calcium oxalate crystals. These crystals were initially observed by polarized light microscopy of hyphae growing on a glass slide, apparently being secreted from the cells. The analysis was refined by Scanning electron microscopy and the compositon of the crystals was confirmed by energy-dispersive x-ray spectrometry. The production of oxalate by M. perniciosa was reinforced by the identification of a putative gene coding for oxaloacetate acetylhydrolase, which catalyzes the hydrolysis of oxaloacetate to oxalate and acetate. This gene was shown to be expressed in the biotrophic-like mycelia, which in planta occupy the intercellular middle-lamella space, a region filled with pectin. Taken together, our results suggest that oxalate production by M. perniciosa may play a role in the WBD pathogenesis mechanism.","Production of calcium oxalate crystals by the basidiomycete Moniliophthora perniciosa, the causal agent of witches' broom disease of Cacao.","['Agaricales', 'Amino Acid Sequence', 'Animals', 'Cacao', 'Calcium Oxalate', 'Fungal Proteins', 'Hydrolases', 'Hyphae', 'Microscopy, Electron, Scanning', 'Microscopy, Polarization', 'Molecular Sequence Data', 'Plant Diseases', 'Sequence Alignment', 'Spectrometry, X-Ray Emission']","['chemistry', None, None, 'microbiology', 'metabolism', 'genetics', 'genetics', 'chemistry', None, None, None, 'microbiology', None, None]",0.0,cocoa,0.2692307692307692,"['oxalate', 'calcium', 'Oxalic acid', ""Witches' Broom disease"", 'acetate', 'middle-lamella', 'pectin', 'oxaloacetate', 'calcium oxalate']",1,14
15137812,"Directive 2000/36/EC allows chocolate makers to add up to 5% of only six specific cocoa butter equivalents (CBEs) to cocoa butter (CB). A quantification method based on triacylglycerol (TAG) class analysis by gas chromatography with an unpolar column was set up for routine control purposes of chocolate bars. Mixtures of CBEs/CB were elaborated according to a Placket-Burman experiment design and analyzed by gas chromatography. A matrix was built with the normalized values of TAG classes (C50, C52, C54, and C56) of pure CBs of various origins, homemade CB/CBE mixtures (1 CB type), and mixtures containing CBE with CBs of various origins. A multivariate calibration equation was computed from this matrix using a partial least-squares regression technique. CBE addition can be detected at a minimum level of 2%, and the mathematical model allows its quantification with an uncertainty of 2% with respect to the cocoa butter fats. The model has also been applied for deconvolution and quantification of each CBE of a CBE mixture in chocolate bars.",Alternative method for the quantification by gas chromatography triacylglycerol class analysis of cocoa butter equivalent added to chocolate bars.,"['Cacao', 'Candy', 'Chromatography, Gas', 'Dietary Fats', 'Triglycerides']","['chemistry', 'analysis', 'methods', 'analysis', 'analysis']",2.0,cocoa,0.1724137931034483,"['CB', 'C50', 'C54', 'cocoa butter', 'C52', 'cocoa butter equivalents', 'triacylglycerol', 'TAG']",1,10
15759754,"After the publication of high levels of acrylamide (AA) in food, many research activities started all over the world in order to determine the occurrence and the concentration of this substance in various types of food. As no validated methods were available at that time, interlaboratory studies on the determination of AA in food were of the highest priority. Under the boundary conditions of applying well-established evaluation schemes, the results of 2 studies conducted by the Federal Institute for Risk Assessment (BfR) in Germany and by the European Commission's Directorate General Joint Research Center (JRC) exhibited an overall acceptable performance of the participants in these studies. Nevertheless, many laboratories showed problems in determining AA in food with a complex matrix such as cocoa. The results of analysis also showed a broader variation of AA for samples with low AA concentrations and indicated a bias of the results obtained by gas chromatography-mass spectrometry without derivatization. Improvements of the performance of some laboratories appeared to be necessary.",Results from two interlaboratory comparison tests organized in Germany and at the EU level for analysis of acrylamide in food.,"['Acrylamide', 'Bread', 'Cacao', 'Chemistry Techniques, Analytical', 'European Union', 'Food', 'Food Analysis', 'Gas Chromatography-Mass Spectrometry', 'Germany', 'Research Design', 'Risk Assessment', 'Solanum tuberosum', 'Time Factors']","['analysis', None, None, 'methods', None, None, 'methods', 'methods', None, None, None, None, None]",,cocoa,0.1111111111111111,"['bias', 'acrylamide', 'AA']",1,6
21480674,"Samples of 15 second generation soy-based products (n = 3), commercially available, were analyzed for their protein and isoflavone contents and in vitro antioxidant activity, by means of the Folin-Ciocalteu reducing ability, DPPH radical scavenging capacity, and oxygen radical absorbance capacity. Isoflavone identification and quantification were performed by high-performance liquid chromatography. Products containing soy and/or soy-based ingredients represent important sources of protein in addition to the low fat amounts. However, a large variation in isoflavone content and in vitro antioxidant capacity was observed. The isoflavone content varied from 2.4 to 18.1 mg/100 g (FW), and soy kibe and soy sausage presented the highest amounts. Chocolate had the highest antioxidant capacity, but this fact was probably associated with the addition of cocoa liquor, a well-known source of polyphenolics. This study showed that the soy-based foods do not present a significant content of isoflavones when compared with the grain, and their in vitro antioxidant capacity is not related with these compounds but rather to the presence of other phenolics and synthetic antioxidants, such as sodium erythorbate. However, they may represent alternative sources and provide soy protein, isoflavones, and vegetable fat for those who are not ready to eat traditional soy foods.",Nutritional aspects of second generation soy foods.,"['Antioxidants', 'Dietary Fats', 'Isoflavones', 'Nutritive Value', 'Soy Foods', 'Soybean Proteins']","['analysis', 'analysis', 'analysis', None, 'analysis', 'analysis']",0.0,cocoa,0.12307692307692308,"['cocoa liquor', 'isoflavone', 'Isoflavone', 'isoflavones', 'sodium', 'oxygen']",1,8
25213975,"Micellar electrokinetic chromatography (MEKC) has been applied for the determination of 5-hydroxymethylfurfural in several foodstuffs. A 75mM phosphate buffer solution at pH 8.0 containing 100mM sodium dodecylsulphate was used as background electrolyte (BGE), and the separation was performed by applying +25kV in a 50__m I.D. uncoated fused-silica capillary. Good linearity over the range 2.5-250mgkg(-1) (r(2)_©_0.999) and run-to-run and day-to-day precisions at low and medium concentration levels were obtained. Sample limit of detection (0.7mgkg(-1)) and limit of quantification (2.5mgkg(-1)) were established by preparing the standards in blank matrix. The procedure was validated by comparing the results with those obtained with liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS). Levels of HMF in 45 different foodstuffs such as breakfast cereals, toasts, honey, orange juice, apple juice, jam, coffee, chocolate and biscuits were determined. ",5-Hydroxymethylfurfural content in foodstuffs determined by micellar electrokinetic chromatography.,[],[],0.0,cocoa,0.11627906976744186,"['sodium dodecylsulphate', '5-hydroxymethylfurfural', '_0.999', 'phosphate', 'HMF']",1,5
10820089,"Catechins, compounds that belong to the flavonoid class, are potentially beneficial to human health. To enable epidemiological evaluation of these compounds, data on their contents in foods are required. HPLC with UV and fluorescence detection was used to determine the levels of (+)-catechin, (-)-epicatechin, (+)-gallocatechin (GC), (-)-epigallocatechin (EGC), (-)-epicatechin gallate (ECg), and (-)-epigallocatechin gallate (EGCg) in 24 types of fruits, 27 types of vegetables and legumes, some staple foods, and processed foods commonly consumed in The Netherlands. Most fruits, chocolate, and some legumes contained catechins. Levels varied to a large extent: from 4.5 mg/kg in kiwi fruit to 610 mg/kg in black chocolate. (+)-Catechin and (-)-epicatechin were the predominant catechins; GC, EGC, and ECg were detected in some foods, but none of the foods contained EGCg. The data reported here provide a base for the epidemiological evaluation of the effect of catechins on the risk for chronic diseases.","Catechin contents of foods commonly consumed in The Netherlands. 1. Fruits, vegetables, staple foods, and processed foods.","['Catechin', 'Chromatography, High Pressure Liquid', 'Food Analysis', 'Humans', 'Netherlands', 'Spectrometry, Fluorescence', 'Spectrophotometry, Ultraviolet']","['analysis', None, None, None, None, None, None]",0.0,cocoa,0.3148148148148148,"['Catechins', '(-)-epigallocatechin', '(+)-Catechin', 'ECg', '(-)-epicatechin gallate', '(+)-catechin', 'EGCg', '(-)-epigallocatechin gallate', 'EGC', 'catechins', '(-)-epicatechin']",1,17
26372965,"Chemical analyses of organic residues in fragments of pottery from 18 sites in the US Southwest and Mexican Northwest reveal combinations of methylxanthines (caffeine, theobromine, and theophylline) indicative of stimulant drinks, probably concocted using either cacao or holly leaves and twigs. The results cover a time period from around A.D. 750-1400, and a spatial distribution from southern Colorado to northern Chihuahua. As with populations located throughout much of North and South America, groups in the US Southwest and Mexican Northwest likely consumed stimulant drinks in communal, ritual gatherings. The results have implications for economic and social relations among North American populations. ",Ritual drinks in the pre-Hispanic US Southwest and Mexican Northwest.,"['Archaeology', 'Beverages', 'Cacao', 'Caffeine', 'Ceremonial Behavior', 'Chromatography, High Pressure Liquid', 'Cultural Characteristics', 'Food', 'Geography', 'History, Ancient', 'Humans', 'Ilex', 'Mexico', 'Southwestern United States', 'Tandem Mass Spectrometry']","[None, 'analysis', None, None, None, None, 'history', None, None, None, None, None, None, None, None]",0.0,cocoa,0.1282051282051282,"['theophylline', 'theobromine', 'caffeine', 'cacao', 'methylxanthines']",1,5
12589329,"This paper offers a review of current scientific research regarding the potential cardiovascular health benefits of flavonoids found in cocoa and chocolate. Recent reports indicate that the main flavonoids found in cocoa, flavan-3-ols and their oligomeric derivatives, procyanidins, have a variety of beneficial actions, including antioxidant protection and modulation of vascular homeostasis. These findings are supported by similar research on other flavonoid-rich foods. Other constituents in cocoa and chocolate that may also influence cardiovascular health are briefly reviewed. The lipid content of chocolate is relatively high; however, one third of the lipid in cocoa butter is composed of the fat stearic acid, which exerts a neutral cholesterolemic response in humans. Cocoa and chocolate contribute to trace mineral intake, which is necessary for optimum functioning of all biologic systems and for vascular tone. Thus, multiple components in chocolate, particularly flavonoids, can contribute to the complex interplay of nutrition and health. Applications of this knowledge include recommendations by health professionals to encourage individuals to consume a wide range of phytochemical-rich foods, which can include dark chocolate in moderate amounts.",Cocoa and chocolate flavonoids: implications for cardiovascular health.,"['Anticholesteremic Agents', 'Antioxidants', 'Biological Availability', 'Cacao', 'Cardiovascular Diseases', 'Chromatography, High Pressure Liquid', 'Dietary Fats', 'Dietary Fiber', 'Flavonoids', 'Humans', 'Immunity', 'Minerals', 'Phytosterols', 'Platelet Activation', 'Stearic Acids']","['administration & dosage', 'administration & dosage', None, 'chemistry', 'metabolism', None, 'administration & dosage', 'administration & dosage', 'administration & dosage', None, 'drug effects', 'administration & dosage', 'administration & dosage', 'drug effects', 'administration & dosage']",1.0,cocoa,0.16071428571428573,"['cocoa butter', 'phytochemical-rich', 'flavonoids', 'flavonoid-rich', 'stearic acid', 'chocolate', 'procyanidins']",1,9
2991094,"Correlation studies on patients with myasthenia gravis are reported in which clinical assessment of fatigue and neurophysiological findings are compared to blood levels of pyridostigmine. Measurements using a high-pressure liquid chromatography method (HPLC), give reproducible results. The levels of pyridostigmine in the serum or plasma of healthy controls and of patients show no essential differences. Components of coffee, tea, chocolate and cigarettes can markedly disturb the chromatography by adding additional peaks, so that interpretation becomes difficult or impossible. Blood levels can be measured approximately one hour after oral intake of 60 mg pyridostigmine. Concentrations rise for two to four hours and then decline exponentially. The half-life of pyridostigmine was between 156 and 210 minutes. Despite identical oral dosages, the concentration differed intraindividually and interindividually among patients. While the blood level does not reach its maximum value for 1-1 1/2 to 3 hours, the maximum clinical and neurophysiological effect of pyridostigmine appears 30-60 minutes after ingestion. Variable distribution of cholinesterase inhibitors over the different compartments (blood, synaptic region) is assumed to cause this temporal lag. If the total amount of pyridostigmine is divided into 4-5 doses, the concentration profiles over the course of a day are relatively stable. There is no significant correlation between the variations in blood level throughout one day, and changes in myasthenic symptomatology. Effects of pyridostigmine can be measured at levels as low as 5 ng/ml; at levels above 40 ng/ml further improvement can be detected only rarely. Blood levels were lower if corticosteroids were administered simultaneously; azathioprine had no influence on blood levels. Blood levels assays allow better differentiation of cholinergic and myasthenic crises and the identification of disturbed absorption and interactions with other medications.",[Serum levels of pyridostigmine in myasthenia gravis: methods and clinical significance].,"['Adolescent', 'Adult', 'Aged', 'Biological Availability', 'Chromatography, High Pressure Liquid', 'Dose-Response Relationship, Drug', 'Drug Interactions', 'Drug Tolerance', 'Female', 'Humans', 'Kinetics', 'Male', 'Median Nerve', 'Middle Aged', 'Myasthenia Gravis', 'Pyridostigmine Bromide', 'Synaptic Transmission']","[None, None, None, None, None, None, None, None, None, None, None, None, 'drug effects', None, 'blood', 'blood', 'drug effects']",,cocoa,0.08333333333333333,"['azathioprine', 'pyridostigmine']",1,8
20722952,"Export of cocoa beans is of great economic importance in Ghana and several other tropical countries. Raw cocoa has an astringent, unpleasant taste, and flavor, and has to be fermented, dried, and roasted to obtain the characteristic cocoa flavor and taste. In an attempt to obtain a deeper understanding of the changes in the cocoa beans during fermentation and investigate the possibility of future development of objective methods for assessing the degree of fermentation, a novel combination of methods including cut test, colorimetry, fluorescence spectroscopy, NIR spectroscopy, and GC-MS evaluated by chemometric methods was used to examine cocoa beans sampled at different durations of fermentation and samples representing fully fermented and dried beans from all cocoa growing regions of Ghana. Using colorimetry it was found that samples moved towards higher a* and b* values as fermentation progressed. Furthermore, the degree of fermentation could, in general, be well described by the spectroscopic methods used. In addition, it was possible to link analysis of volatile compounds with predictions of fermentation time. Fermented and dried cocoa beans from the Volta and the Western regions clustered separately in the score plots based on colorimetric, fluorescence, NIR, and GC-MS indicating regional differences in the composition of Ghanaian cocoa beans. The study demonstrates the potential of colorimetry and spectroscopic methods as valuable tools for determining the fermentation degree of cocoa beans. Using GC-MS it was possible to demonstrate the formation of several important aroma compounds such 2-phenylethyl acetate, propionic acid, and acetoin and the breakdown of others like diacetyl during fermentation. Practical Application: The present study demonstrates the potential of using colorimetry and spectroscopic methods as objective methods for determining cocoa bean quality along the processing chain. Development of objective methods for determining cocoa bean quality will be of great importance for quality insurance within the fields of cocoa processing and raw material control in chocolate producing companies.",Ghanaian cocoa bean fermentation characterized by spectroscopic and chromatographic methods and chemometrics.,"['Acetates', 'Acetoin', 'Cacao', 'Color', 'Colorimetry', 'Diacetyl', 'Fermentation', 'Food Analysis', 'Food Handling', 'Gas Chromatography-Mass Spectrometry', 'Ghana', 'Models, Statistical', 'Phenylethyl Alcohol', 'Principal Component Analysis', 'Propionates', 'Quality Control', 'Seeds', 'Spectrometry, Fluorescence', 'Spectroscopy, Near-Infrared', 'Volatile Organic Compounds']","['analysis', 'analysis', 'chemistry', None, None, 'analysis', None, 'methods', 'methods', None, None, None, 'analogs & derivatives', None, 'analysis', None, 'chemistry', None, None, 'analysis']",0.0,cocoa,0.03571428571428571,"['diacetyl', 'acetoin', 'propionic acid', '2-phenylethyl acetate']",1,4
15237566,The stability and compatibility of tegaserod from crushed tablets in selected beverages and foods were studied.,Stability and compatibility of tegaserod from crushed tablets mixed in beverages and foods.,"['Beverages', 'Chromatography, High Pressure Liquid', 'Drug Incompatibility', 'Drug Storage', 'Food', 'Gastrointestinal Agents', 'Indoles', 'Refrigeration', 'Solubility', 'Suspensions', 'Tablets']","[None, None, None, None, None, 'chemistry', 'chemistry', None, None, None, None]",,cocoa,0.14285714285714285,['tegaserod'],1,1
22243490,"POSH are polyolefin oligomeric saturated hydrocarbons, such as oligomers from polyethylene or polypropylene. POSH that have migrated into foods are easily mistaken for mineral oil-saturated hydrocarbons (MOSH). In fact, both POSH and MOSH largely consist of highly isomerised branched and possibly cyclic hydrocarbons, both forming humps of unresolved components in gas chromatography. Chromatograms are reported to show typical elution patterns of POSH and help analysts distinguishing POSH from MOSH as far as possible. Since the structures of the POSH are not fundamentally different from those of the MOSH, it would be prudent to apply the evaluation of the MOSH. However, the migration is frequently beyond that for which safety has been demonstrated. This is shown for a few examples, particularly for powdered formula for babies.",Migration of polyolefin oligomeric saturated hydrocarbons (POSH) into food.,"['Cacao', 'Food Contamination', 'Food Handling', 'Food Packaging', 'Food, Preserved', 'Humans', 'Infant', 'Infant Food', 'Infant Formula', 'Molecular Structure', 'Oryza', 'Plant Tubers', 'Polyenes', 'Polyethylenes', 'Polypropylenes', 'Seeds', 'Solanum tuberosum', 'Surface Properties', 'Water', 'Zea mays']","['chemistry', None, None, None, 'analysis', None, None, 'analysis', 'chemistry', None, 'chemistry', 'chemistry', 'analysis', 'analysis', 'analysis', 'chemistry', 'chemistry', None, 'analysis', 'chemistry']",0.0,cocoa,0.21212121212121213,"['hydrocarbons', 'saturated hydrocarbons', 'MOSH', 'cyclic hydrocarbons']",1,7
24231101,"The regular consumption of flavonoids has been associated with reduced mortality and a decreased risk of cardiovascular diseases. The proanthocyanidins found in plasma are very different from the original flavonoids in food sources. The use of physiologically appropriate conjugates of proanthocyanidins is essential for the in vitro analysis of flavonoid bioactivity. In this study, the effect of different proanthocyanidin-rich extracts, which were obtained from cocoa (CCX), French maritime pine bark (Pycnogenol extract, PYC) and grape seed (GSPE), on lipid homeostasis was evaluated. Hepatic human cells (HepG2 cells) were treated with 25 mg/L of CCX, PYC or GSPE. We also performed in vitro experiments to assess the effect on lipid synthesis that is induced by the bioactive GSPE proanthocyanidins using the physiological metabolites that are present in the serum of GSPE-administered rats. For this, Wistar rats were administered 1 g/kg of GSPE, and serum was collected after 2 h. The semipurified serum of GSPE-administered rats was fully characterized by liquid chromatography tandem triple quadrupole mass spectrometry (LC-QqQ/MS(2)). The lipids studied in the analyses were free cholesterol (FC), cholesterol ester (CE) and triglycerides (TG). All three proanthocyanidin-rich extracts induced a remarkable decrease in the de novo lipid synthesis in HepG2 cells. Moreover, GSPE rat serum metabolites reduced the total percentage of CE, FC and particularly TG; this reduction was significantly higher than that observed in the cells directly treated with GSPE. In conclusion, the bioactivity of the physiological metabolites that are present in the serum of rats after their ingestion of a proanthocyanidin-rich extract was demonstrated in Hep G2 cells. ",Serum metabolites of proanthocyanidin-administered rats decrease lipid synthesis in HepG2 cells.,"['Animals', 'Cacao', 'Cholesterol', 'Flavonoids', 'Grape Seed Extract', 'Hep G2 Cells', 'Humans', 'Lipogenesis', 'Pinus', 'Plant Bark', 'Plant Extracts', 'Proanthocyanidins', 'Rats', 'Rats, Wistar', 'Reproducibility of Results', 'Serum', 'Triglycerides']","[None, 'chemistry', 'blood', 'pharmacology', 'pharmacokinetics', None, None, 'drug effects', 'chemistry', 'chemistry', 'pharmacology', 'blood', None, None, None, 'chemistry', 'blood']",0.0,cocoa,0.20430107526881722,"['Pycnogenol extract', 'grape seed', 'GSPE proanthocyanidins', 'GSPE', 'flavonoids', 'PYC', 'CCX', 'triglycerides', 'cholesterol ester', 'cholesterol', 'pine', 'proanthocyanidins']",1,19
28605022,"A rapid technique using direct analysis in real-time (DART) ambient ionization coupled to a high-resolution accurate mass-mass spectrometer (HRAM-MS) was employed to analyze stains on an individual's pants suspected to have been involved in a violent crime. The victim was consuming chocolate ice cream at the time of the attack, and investigators recovered the suspect's pants exhibiting splatter stains. Liquid chromatography with mass spectral detection (LC-MS) and stereoscopic light microscopy (SLM) were also utilized in this analysis. It was determined that the stains on the pants contained theobromine and caffeine, known components of chocolate. A shard from the ceramic bowl that contained the victim's ice cream and a control chocolate ice cream sample were also found to contain caffeine and theobromine. The use of DART-HRAM-MS was useful in this case due to its rapid analysis capability and because of the limited amount of sample present as a stain.",Forensic Analysis of Stains on Fabric Using Direct Analysis in Real-time Ionization with High-Resolution Accurate Mass-Mass Spectrometry.,[],[],0.0,cocoa,0.18604651162790697,"['theobromine', 'cream', 'caffeine', 'SLM']",1,8
22417537,"Cacao (Theobroma cacao L.) is rich in procyanidins, a large portion of which degrades during the natural fermentation process of producing cocoa powder. Recent advances in technology have enabled scientists to produce unfermented cocoa powder, preserving the original profile of procyanidins present in cocoa and allowing for the development of highly concentrated procyanidin-rich extracts. During this process, the anthocyanins naturally present in unfermented cocoa remain intact, producing a violet color in the final extract. The objective of this study was to selectively remove the violet color in procyanidin-rich extracts produced from unfermented cocoa powder, while maintaining the stability and composition of procyanidins present in the matrix. Several processing parameters, including pH fluctuations, enzymatic treatments, and the addition of potassium meta-bisulfite, were explored to influence the color of procyanidin-rich extracts throughout a 60-d shelf life study. The addition of potassium meta-bisulfite (500 ppm) was found to be the most effective means of removing the violet color present in the treated extracts (L*= 71.39, a*= 8.44, b*= 9.61, chroma = 12.79, and hue = 48.8_) as compared to the control (L*= 52.84, a*= 11.08, b*= 2.24, chroma = 11.28, and hue = 11.4_). The use of potassium meta-bisulfite at all treatment levels (200, 500, and 1000 ppm) did not show any significant detrimental effects on the stability, composition, or amount of procyanidins present in the extracts over the shelf life period as monitored by UV-Vis spectrophotometry and HPLC-MS. This research will enable the food industry to incorporate highly concentrated procyanidin-rich extracts in food products without influencing the color of the final product.",Selective removal of the violet color produced by anthocyanins in procyanidin-rich unfermented cocoa extracts.,"['Anthocyanins', 'Cacao', 'Color', 'Fermentation', 'Food Handling', 'Plant Extracts', 'Proanthocyanidins', 'Seeds', 'Sulfites']","['chemistry', 'chemistry', None, None, 'methods', 'chemistry', 'analysis', 'chemistry', None]",0.0,cocoa,0.14285714285714285,"['anthocyanins', 'potassium', 'Theobroma cacao L.', 'Cacao', 'HPLC-MS', 'procyanidins']",1,11
9583844,"The influence of ascorbic acid on iron absorption from an iron-fortified, chocolate-flavored milk drink (6.3 mg total Fe per serving) was evaluated with a stable-isotope technique in 20 6-7-y-old Jamaican children. Each child received two test meals labeled with 5.6 mg 57Fe and 3.0 mg 58Fe as ferrous sulfate on 2 consecutive days. Three different doses of ascorbic acid (0, 25, and 50 mg per 25-g serving) were evaluated in two separate studies by using a crossover design. Iron isotope ratios were measured by negative thermal ionization mass spectrometry. In the first study, iron absorption was significantly greater (P < 0.0001) after the addition of 25 mg ascorbic acid: geometric mean iron absorption was 1.6% (range: 0.9-4.2%) and 5.1% (2.2-17.3%) for the test meals containing 0 and 25 mg ascorbic acid, respectively. In the second study, a significant difference (P < 0.05) in iron absorption was observed when the ascorbic acid content was increased from 25 to 50 mg: geometric mean iron absorption was 5.4% (range: 2.7-10.8%) compared with 7.7% (range: 4.7-16.5%), respectively. The chocolate drink contained relatively high amounts of polyphenolic compounds, phytic acid, and calcium, all well-known inhibitors of iron absorption. The low iron absorption without added ascorbic acid shows that chocolate milk is a poor vehicle for iron fortification unless sufficient amounts of an iron-absorption enhancer are added. Regular consumption of iron-fortified chocolate milk drinks containing added ascorbic acid could have a positive effect on iron nutrition in population groups vulnerable to iron deficiency.","Influence of ascorbic acid on iron absorption from an iron-fortified, chocolate-flavored milk drink in Jamaican children.","['Animals', 'Ascorbic Acid', 'C-Reactive Protein', 'Cacao', 'Child', 'Cross-Over Studies', 'Female', 'Ferritins', 'Food Analysis', 'Food, Fortified', 'Hemoglobins', 'Humans', 'Intestinal Absorption', 'Iron', 'Jamaica', 'Male', 'Milk']","[None, 'administration & dosage', 'metabolism', None, None, None, None, 'blood', None, 'analysis', 'metabolism', None, 'drug effects', 'administration & dosage', None, None, None]",0.0,cocoa,0.36065573770491804,"['iron', 'calcium', 'Fe', 'ascorbic acid', 'Iron', 'polyphenolic compounds, phytic acid', 'ferrous sulfate']",1,22
24785502,"Surveys were carried out between 2007 and 2009 to determine the aflatoxin B1 content of 3345 commercial Turkish foodstuffs supplied by producers for testing for their own purposes or for export certification. To simplify the reporting of data, foods were categorized as: 1, high sugar products with nuts; 2, nuts and seeds; 3, spices; 4, grain; 5, cocoa products; 6, dried fruit and vegetables; 7, processed cereal products; 8, tea; and 9, baby food and infant formula. Aflatoxin analysis was carried out by high-performance liquid chromatography with fluorescence detection after immunoaffinity column clean-up, with a recoveries ranging from 91% to 99%, depending on the matrix. Of the 3345 samples analysed, 94% contained aflatoxin B1 below the European Union limit of 2 _µg kg(-1), which applies to nuts, dried fruit, and cereals products. The 6% of the 206 contaminated samples were mainly nuts and spices. For pistachios, 24%, 38%, and 42% of the totals of 207, 182, and 24 samples tested for 2007, 2008 and 2009, respectively, were above 2 _µg kg(-1), with 50 samples containing aflatoxin B1 at levels ranging from 10 to 477 _µg kg(-1). ",Surveys of aflatoxin B1 contamination of retail Turkish foods and of products intended for export between 2007 and 2009.,"['Aflatoxin B1', 'Data Collection', 'Diet', 'Edible Grain', 'Environmental Exposure', 'European Union', 'Food Contamination', 'Food Supply', 'Fruit', 'Fungi', 'Humans', 'Infant', 'Infant Formula', 'Nuts', 'Turkey']","['analysis', None, None, 'chemistry', 'analysis', None, 'analysis', None, 'chemistry', None, None, None, None, 'chemistry', None]",0.0,cocoa,0.125,"['5, cocoa products; 6, dried fruit', 'Aflatoxin', 'aflatoxin', '2, nuts']",1,6
18727538,"A fast and simple method to determine vitamin B12 in foods is presented. The method allows, in addition to the determination of added cyanocobalamin, the determination of natural vitamin B12 forms, making it also applicable to nonfortified products, especially those that are milk-based. Vitamin B12 is extracted in sodium acetate buffer in the presence of sodium cyanide (100 degrees C, 30 min). After purification and concentration with an immunoaffinity column, vitamin B12 is determined by liquid chromatography with UV detection (361 nm). The method has been validated in analyses of a large range of products: milk- and soy-based infant formulas, cereals, cocoa beverages, health care products, and polyvitamin premixes. The method showed appropriate performance characteristics: linear response over a large range of concentrations, recovery rates of 100.8 +/- 7.5% (average +/- standard deviation), relative standard deviation of repeatability, RSDr, of 2.1%, and intermediate reproducibility, RSDiR, of 4.3%. Limits of detection and quantitation were 0.10 and 0.30 microg/100 g, respectively, and correlation with the reference microbiological assay was good (R2 = 0.9442). The proposed method is suitable for the routine determination of vitamin B12 in fortified foods, as well as in nonfortified dairy products. It can be used as a faster, more selective, and more precise alternative to the classical microbiological determination.",Determination of vitamin B12 in food products by liquid chromatography/UV detection with immunoaffinity extraction: single-laboratory validation.,"['Chromatography, Affinity', 'Chromatography, High Pressure Liquid', 'Food, Fortified', 'Immunochemistry', 'Indicators and Reagents', 'Reference Standards', 'Reproducibility of Results', 'Solvents', 'Spectrophotometry, Ultraviolet', 'Vitamin B 12', 'Vitamins']","[None, None, 'analysis', None, None, None, None, None, None, 'analysis', 'analysis']",,cocoa,0.1724137931034483,"['cyanocobalamin', 'Vitamin B12', 'vitamin B12', 'sodium cyanide', 'sodium acetate', 'fortified foods', 'premixes']",1,10
26572874,"Antioxidant-rich foods scavenge free radicals and other reactive species, decreasing the risk of different non-communicable chronic diseases. The objective of this study was to review the content of total antioxidant capacity of commonly foods comparing with experimental data and to explore the health benefits due to foods with moderate to high TAC. The TAC was analytically measured using the ""Total Antioxidant Capacity"" (NX2332) test from Randox_‰ (UK) by spectrometry at 600 nm. Brazil nut (Bertholletia excelsa), ""guaran"" (Paullinia cupana Kunth) powder, ready to drink boiled coffee (Coffea arabica L.), and milk chocolate (made from seeds of Theobroma cacao) had the highest TAC values, followed by collard greens (Brassica oleracea L.), beets (Beta vulgaris L.), apples (Malus domestica Borkh.), bananas (Musa paradisiaca), common beans (Phaseolus vulgaris), oranges (Citrus sinensis (L.) Osbeck), onions (Allium cepa L.), and lettuce (Lactuca sativa L.). Other foods also showed antioxidant capacity. The binomial antioxidant capacity of foods and health was extensively discussed according to science literature. Based on the high TAC content of Brazil nuts, guaran, coffee, chocolate, collard greens, apples, beets, beans, oranges, onions and other foods, their regular dietary intake is strongly recommended to reduce the risk of chronic non-communicable diseases. ",An apple plus a Brazil nut a day keeps the doctors away: antioxidant capacity of foods and their health benefits.,"['Bertholletia', 'Cardiovascular Diseases', 'Cerebrovascular Disorders', 'Dietary Supplements', 'Humans', 'Malus', 'Neoplasms', 'Phytotherapy']","[None, 'prevention & control', 'prevention & control', None, None, None, 'prevention & control', None]",,cocoa,0.11538461538461539,"['NX2332', 'Theobroma cacao', 'TAC', 'Antioxidant-rich', 'Paullinia cupana Kunth', 'Coffea arabica L.']",1,9
3806705,"Ethyl ether extracts derived from coffee were tested for in vitro estrogenic and in vivo uterotropic activities. Coffee extracts, unlike tea and cocoa, were found to actively compete with 17 beta-estradiol for uterine cytosol binding sites. The biologically active fractions possessed an unique ultraviolet absorbance spectrum that excluded them from containing flavonoid, coumestan, or resorcyclic acid lactone constituents. Coffee extracts administered to immature female mice for 3 d in feeding studies displayed significant (p less than 0.05) uterotropic responses, which were similar to results obtained in mice treated with a standard 17 beta-estradiol dose. Additional studies in mice disclosed that coffee extracts did not reduce the uterotropic effect normally induced by 17 beta-estradiol when administered simultaneously with estradiol. The complete estrogenic effects of coffee constituents, coupled with their failure to inhibit a biological response evoked by estradiol, strongly suggest that coffee contains constituent(s) that are weakly estrogenic.",Studies on the estrogenic activity of a coffee extract.,"['Animals', 'Binding, Competitive', 'Cacao', 'Coffee', 'Cytosol', 'Estradiol', 'Ether', 'Female', 'Genistein', 'Isoflavones', 'Mice', 'Ovariectomy', 'Receptors, Estrogen', 'Spectrophotometry, Ultraviolet', 'Tea', 'Uterus']","[None, None, None, 'toxicity', 'metabolism', 'metabolism', None, None, None, None, None, None, 'metabolism', None, None, 'metabolism']",,cocoa,0.16666666666666666,"['resorcyclic acid lactone', 'cocoa', 'estradiol', 'flavonoid, coumestan', 'Ethyl ether', 'beta-estradiol']",1,9
21535643,"Chocolate storage is critical to final product quality. Inadequate storage, especially with temperature fluctuations, may lead to rearrangement of triglycerides that make up the bulk of the chocolate matrix; this rearrangement may lead to fat bloom. Bloom is the main cause of quality loss in the chocolate industry. The effect of storage conditions leading to bloom formation on texture and flavor attributes by human and instrumental measures has yet to be reported. Therefore, the impact of storage conditions on the quality of dark chocolate by sensory and instrumental measurements was determined. Dark chocolate was kept under various conditions and analyzed at 0, 4, and 8 wk of storage. Ten members of a descriptive panel analyzed texture and flavor. Instrumental methods included texture analysis, color measurement, lipid polymorphism by X-ray diffraction and differential scanning calorimetry, triglyceride concentration by gas chromatography, and surface properties by atomic force microscopy. Results were treated by analysis of variance, cluster analysis, principal component analysis, and linear partial least squares regression analysis. Chocolate stored 8 wk at high temperature without fluctuations and 4 wk with fluctuations transitioned from form V to VI. Chocolates stored at high temperature with and without fluctuations were harder, more fracturable, more toothpacking, had longer melt time, were less sweet, and had less cream flavor. These samples had rougher surfaces, fewer but larger grains, and a heterogeneous surface. Overall, all stored dark chocolate experienced instrumental or perceptual changes attributed to storage condition. Chocolates stored at high temperature with and without fluctuations were most visually and texturally compromised. Practical Application: Many large chocolate companies do their own ""in-house"" unpublished research and smaller confectionery facilities do not have the means to conduct their own research. Therefore, this study relating sensory and instrumental data provides published evidence available for application throughout the confectionery industry.",Impact of storage on dark chocolate: texture and polymorphic changes.,"['Cacao', 'Calorimetry, Differential Scanning', 'Candy', 'Chemical Phenomena', 'Color', 'Female', 'Flame Ionization', 'Food Handling', 'Hot Temperature', 'Humans', 'Male', 'Microscopy, Atomic Force', 'Powder Diffraction', 'Quality Control', 'Sensation', 'Surface Properties', 'Taste', 'Time Factors', 'Transition Temperature', 'Triglycerides']","['chemistry', None, 'analysis', None, None, None, None, None, 'adverse effects', None, None, None, None, None, None, None, None, None, None, 'analysis']",0.0,cocoa,0.05,"['triglycerides', 'triglyceride', 'Chocolates', 'cream flavor']",1,5
21561068,"The physicochemical properties of acidified milk gels after the addition of cocoa flavanols were studied. As the flavanol level increased (from 0 to 2.5 mg/g), syneresis and gel elasticity (tan __) were found to significantly increase and decrease, respectively. Flavanol addition reduced the stress at fracture, with no changes in fracture strain, suggesting that the bond type (i.e., covalent vs noncovalent) was the underlying factor explaining the ease of fracture. Gels made from recombined milks containing the casein fraction of heated milk and the serum of heated flavanol/milk mixtures showed the lowest values of G' and fracture stress. It was concluded that whey proteins/flavanol interactions were responsible for the poor mechanical properties of flavanol-added acidified milk gels. High-performance liquid chromatography analysis of milk sera showed that 60% of the total available monomeric flavanols was found in the serum phase from which 75% was non-associated to whey proteins. Concomitantly, >70% of flavanols with degree of polymerization >3 were found to be associated with the casein fraction.",Physicochemical properties of acidified skim milk gels containing cocoa flavanols.,"['Animals', 'Cacao', 'Chemical Phenomena', 'Elasticity', 'Flavanones', 'Gels', 'Milk', 'Polymerization']","[None, 'chemistry', None, None, 'chemistry', 'chemistry', 'chemistry', None]",0.0,cocoa,0.13333333333333333,"['Flavanol', 'cocoa flavanols', 'flavanol', 'proteins/flavanol', 'flavanols']",1,6
11025151,"Cocoa and chocolate contain the tetrahydroisoquinoline alkaloid salsolinol up to a concentration of 25 microg/g. Salsolinol is a dopaminergic active compound which binds to the D(2) receptor family, especially to the D(3) receptor with a K(i) of 0.48+/-0.021 micromol/l. It inhibits the formation of cyclic AMP and the release of beta-endorphin and ACTH in a pituitary cell system. Taking the detected concentration and the pharmacological properties into account, salsolinol seems to be one of the main psychoactive compounds present in cocoa and chocolate and might be included in chocolate addiction.",In vitro pharmacological activity of the tetrahydroisoquinoline salsolinol present in products from Theobroma cacao L. like cocoa and chocolate.,"['Adrenocorticotropic Hormone', 'Animals', 'Cacao', 'Cyclic AMP', 'Food Analysis', 'Gas Chromatography-Mass Spectrometry', 'Isoquinolines', 'Mice', 'Receptors, Dopamine', 'Stereoisomerism', 'Substance-Related Disorders', 'Tumor Cells, Cultured', 'beta-Endorphin']","['metabolism', None, 'chemistry', 'metabolism', None, None, 'analysis', None, 'drug effects', None, 'metabolism', 'drug effects', 'drug effects']",1.0,cocoa,0.23076923076923078,"['tetrahydroisoquinoline', 'salsolinol', 'cyclic AMP', 'Salsolinol', 'Cocoa']",1,6
22953918,"Silicon is a trace element for humans, and is absorbed from food in the form of orthosilicic acid. Instant food products are part of a constantly growing market of convenience foods, which have not been evaluated yet as sources of silicon. In this study the total and soluble silicon contents in different instant food products were determined by using graphite furnace atomic absorption spectrometry (GF-AAS). A selection of instant products commercially available in Wroclaw were analyzed: soups, main courses, coffee drinks, jellies and puddings. Total silicon contents in soups, main courses and coffee drinks ranged widely and reached the values: 0.10-30.20, 0.63-37.91 and 0.21-13.37mg/serving, respectively. These products contained 0.05-1.26mg of soluble silicon per serving. The total silicon content in jellies and puddings did not exceed 0.36mg and 2.42mg/serving, respectively. Among the analyzed desserts the highest level of soluble silicon was found in chocolate puddings: 0.36-0.41mg/serving. The silicon level in servings of the studied instant products when prepared with the appropriate amount of water was also estimated. The mean content of silicon determined in samples of drinking water from Wroc_aw and the vicinity, which was used for the estimation, amounted to 7.09mg/l. The total silicon content in ready-to-eat products ranged from 1.32 to 39.21mg/serving. In conclusion, some of the analyzed instant foods contained very high amounts of silicon, however the content of the soluble, and hence available, form of this element was low.",Instant food products as a source of silicon.,"['Fast Foods', 'Food Analysis', 'Nutritive Value', 'Silicon', 'Trace Elements']","['analysis', None, None, 'analysis', 'analysis']",0.0,cocoa,0.0,[],1,0
18215649,"The spontaneous formation of the neurotoxic carcinogen acrylamide in a wide range of cooked foods has recently been discovered. These foods include bread and other bakery products, crisps, chips, breakfast cereals, and coffee. To date, the diminutive size of acrylamide (71.08 Da) has prevented the development of screening immunoassays for this chemical. In this study, a polyclonal antibody capable of binding the carcinogen was produced by the synthesis of an immunogen comprising acrylamide derivatised with 3-mercaptobenzoic acid (3-MBA), and its conjugation to the carrier protein bovine thyroglobulin. Antiserum from the immunised rabbit was harvested and fully characterised. It displayed no binding affinity for acrylamide or 3-MBA but had a high affinity for 3-MBA-derivitised acrylamide. The antisera produced was utilised in the development of an ELISA based detection system for acrylamide. Spiked water samples were assayed for acrylamide content using a previously published extraction method validated for coffee, crispbread, potato, milk chocolate and potato crisp matrices. Extracted acrylamide was then subjected to a rapid 1-h derivatisation with 3-MBA, pre-analysis. The ELISA was shown to have a high specificity for acrylamide, with a limit of detection in water samples of 65.7 microgkg(-1), i.e. potentially suitable for acrylamide detection in a wide range of food commodities. Future development of this assay will increase sensitivity further. This is the first report of an immunoassay capable of detecting the carcinogen, as its small size has necessitated current analytical detection via expensive, slower, physico-chemical techniques such as Gas or Liquid Chromatography coupled to Mass Spectrometry.","Development of a high-throughput enzyme-linked immunosorbent assay for the routine detection of the carcinogen acrylamide in food, via rapid derivatisation pre-analysis.","['Acrylamide', 'Animals', 'Carcinogens', 'Enzyme-Linked Immunosorbent Assay', 'Female', 'Food Analysis', 'Mice', 'Mice, Inbred BALB C', 'Time Factors']","['analysis', None, 'analysis', 'methods', None, None, None, None, None]",0.0,cocoa,0.16049382716049382,"['Spiked', 'cooked foods', '3-mercaptobenzoic acid', 'acrylamide', 'acrylamide derivatised']",1,13
16500886,"In the current study, we screened 7 clonal lines from single seed phenotypes of Lamiaceae family for the inhibition of alpha-amylase, alpha-glucosidase and angiotensin converting enzyme (ACE) inhibitory activity. Water extracts of oregano had the highest alpha-glucosidase inhibition activity (93.7%), followed by chocolate mint (85.9%) and lemon balm (83.9%). Sage (78.4 %), and three different clonal lines of rosemary: rosemary LA (71.4%), rosemary 6 (68.4%) and rosemary K-2 (67.8%) also showed significant alpha-glucosidase inhibitory activity. The alpha-glucosidase inhibitory activity of the extracts was compared to selected specific phenolics detected in the extracts using HPLC. Catechin had the highest alpha-glucosidase inhibitiory activity (99.6 %) followed by caffeic acid (91.3 %), rosmarinic acid (85.1%) and resveratrol (71.1 %). Catechol (64.4%), protocatechuic acid (55.7%) and quercetin (36.9%) also exhibited significant alpha-glucosidase inhibitory activity. Results suggested that alpha-glucosidase inhibitory activity of the clonal extracts correlated to the phenolic content, antioxidant activity and phenolic profile of the extracts. The clonal extracts of the herbs and standard phenolics tested in this study did not have any effect on the alpha-amylase activity. We also investigated the ability of the clonal extracts to inhibit rabbit lung angiotensin I-converting enzyme (ACE). The water extracts of rosemary, rosemary LA had the highest ACE inhibitory activity (90.5%), followed by lemon balm (81.9%) and oregano (37.4 %). Lower levels of ACE inhibition were observed with ethanol extracts of oregano (18.5 %) and lemon balm (0.5 %). Among the standard phenolics only resveratrol (24.1 %), hydroxybenzoic acid (19.3 %) and coumaric acid (2.3 %) had ACE inhibitory activity.",Evaluation of clonal herbs of Lamiaceae species for management of diabetes and hypertension.,"['Angiotensin-Converting Enzyme Inhibitors', 'Antihypertensive Agents', 'Chromatography, High Pressure Liquid', 'Diabetes Mellitus, Type 2', 'Enzyme Inhibitors', 'Ethanol', 'Glycoside Hydrolase Inhibitors', 'Humans', 'Hypertension', 'Hypoglycemic Agents', 'In Vitro Techniques', 'Lamiaceae', 'Phytotherapy', 'Plant Extracts', 'Water', 'alpha-Amylases']","[None, 'therapeutic use', None, 'drug therapy', 'therapeutic use', None, None, None, 'drug therapy', 'therapeutic use', None, 'chemistry', None, 'analysis', None, 'antagonists & inhibitors']",0.0,cocoa,0.23255813953488372,"['oregano', 'protocatechuic acid', 'Lamiaceae', 'resveratrol', 'caffeic acid', 'rosemary', 'hydroxybenzoic acid', 'ethanol', 'Catechol', 'angiotensin', 'LA', 'coumaric acid', 'rosemary, rosemary LA', 'rosmarinic acid', 'Catechin', 'quercetin']",1,20
12963011,"High levels of acrylamide have been found in foods heated at high temperatures, especially in carbohydrate rich foods. Several kinds of foods (industrially produced) representing different food/product groups available on the Swedish market have been analysed for acrylamide. A considerable variation in levels of acrylamide between single foodstuffs (different brands) within food categories were found, which also applies for levels in different food categories. Using recent Swedish food consumption data the dietary intake of acrylamide for the Swedish adult population was assessed based on foodstuffs with low to high levels of acrylamide (<30-2300 microg/kg), such as processed potato products, bread, breakfast cereals, biscuits, cookies, snacks and coffee. The estimated dietary intake of acrylamide per person (total population) given as the 5th, 50th and 95th percentile were 9.1, 27 and 62 microg/day respectively, from those food/product groups (mean 31 microg/day). No acrylamide was found in many other foodstuffs analysed and those were therefore not included in the dietary intake assessment of acrylamide. However, an additional minor contribution of a few microg/day of acrylamide from foods/products like poultry, meat, fish, cocoa powder and chocolates cannot be excluded. An average daily intake of 35 microg corresponds to 0.5 microg per kg body weight and day (body weight 70 kg). Risk assessments of acrylamide, made by US EPA and WHO, imply that this dietary intake of acrylamide could be associated with potential health risks.",Dietary intake of acrylamide in Sweden.,"['Acrylamides', 'Adolescent', 'Adult', 'Aged', 'Chromatography, Liquid', 'Data Collection', 'Diet', 'Eating', 'Female', 'Food Analysis', 'Humans', 'Male', 'Middle Aged', 'Spectrometry, Mass, Electrospray Ionization', 'Sweden']","['analysis', None, None, None, None, None, None, None, None, None, None, None, None, None, None]",0.0,cocoa,0.15384615384615385,"['EPA', 'acrylamide']",1,12
29083186,"Peanut is an important food allergen, but it cannot currently be reliably detected and quantified in processed foods at low levels. A level of 3 mg protein/kg is increasingly being used as a reference dose above which precautionary allergen labeling is applied to food products. Two exemplar matrices (chocolate dessert and chocolate bar) were prepared and incurred with 0, 3, 10, or 50 mg/kg peanut protein using a commercially available lightly roasted peanut flour ingredient. After simple buffer extraction employing an acid-labile detergent, multiple reaction monitoring (MRM) experiments were used to assess matrix effects on the detection of a set of seven peptide targets derived from peanut allergens using either conventional or microfluidic chromatographic separation prior to mass spectrometry. Microfluidic separation provided greater sensitivity and increased ionization efficiency at low levels. Individual monitored transitions were detected in consistent ratios across the dilution series, independent of matrix. The peanut protein content of each sample was then determined using ELISA and the optimized MRM method. Although other peptide targets were detected with three transitions at the 50 mg/kg peanut protein level in both matrices, only Arah2(Q6PSU2)",Microfluidic Separation Coupled to Mass Spectrometry for Quantification of Peanut Allergens in a Complex Food Matrix.,[],[],0.0,cocoa,0.016666666666666666,['roasted peanut flour'],1,1
25889873,"Two dimensional electrophoresis and nano-LC-MS were performed in order to identify alterations in protein abundance that correlate with maturation of cacao zygotic and somatic embryos. The cacao pod proteome was also characterized during development. The recently published cacao genome sequence was used to create a predicted proteolytic fragment database. Several hundred protein spots were resolved on each tissue analysis, of which 72 variable spots were subjected to MS analysis, resulting in 49 identifications. The identified proteins represent an array of functional categories, including seed storage, stress response, photosynthesis and translation factors. The seed storage protein was strongly accumulated in cacao zygotic embryos compared to their somatic counterpart. However, sucrose treatment (60 g L(-1)) allows up-regulation of storage protein in SE. A high similarity in the profiles of acidic proteins was observed in mature zygotic and somatic embryos. Differential expression in both tissues was observed in proteins having high pI. Several proteins were detected exclusively in fruit tissues, including a chitinase and a 14-3-3 protein. We also identified a novel cacao protein related to known mabinlin type sweet storage proteins. Moreover, the specific presence of thaumatin-like protein, another sweet protein, was also detected in fruit tissue. We discuss our observed correlations between protein expression profiles, developmental stage and stress responses.","Proteome analysis during pod, zygotic and somatic embryo maturation of Theobroma cacao.","['Cacao', 'Chromatography, Liquid', 'Electrophoresis, Gel, Two-Dimensional', 'Gene Expression Regulation, Developmental', 'Gene Expression Regulation, Plant', 'Mass Spectrometry', 'Nanotechnology', 'Plant Proteins', 'Proteome', 'Proteomics', 'Seeds', 'Zygote']","['embryology', None, None, None, None, None, None, 'metabolism', 'metabolism', 'methods', 'genetics', 'metabolism']",0.0,cocoa,0.030303030303030304,"['sucrose', 'cacao zygotic']",1,2
22664313,"After absorption in the gastrointestinal tract, (-)-epicatechin is extensively transformed into various conjugated metabolites. These metabolites, chemically different from the aglycone forms found in foods, are the compounds that reach the circulatory system and the target organs. Therefore, it is imperative to identify and quantify these circulating metabolites to investigate their roles in the biological effects associated with (-)-epicatechin intake. Using authentic synthetic standards of (-)-epicatechin sulfates, glucuronides, and O-methyl sulfates, a novel LC-MS/MS-MRM analytical methodology to quantify (-)-epicatechin metabolites in biological matrices was developed and validated. The optimized method was subsequently applied to the analysis of plasma and urine metabolites after consumption of dark chocolate, an (-)-epicatechin-rich food, by humans. (-)-Epicatechin-3'-__-d-glucuronide (C(max) 290 _± 49 nM), (-)-epicatechin 3'-sulfate (C(max) 233 _± 60 nM), and 3'-O-methyl epicatechin sulfates substituted in the 4', 5, and 7 positions were the most relevant (-)-epicatechin metabolites in plasma. When plasmatic metabolites were divided into their substituent groups, it was revealed that (-)-epicatechin glucuronides, sulfates, and O-methyl sulfates represented 33 _± 4, 28 _± 5, and 33 _± 4% of total metabolites (AUC(0-24)(h)), respectively, after dark chocolate consumption. Similar metabolites were found in urine samples collected over 24h. The total urine excretion of (-)-epicatechin was 20 _± 2% of the amount ingested. In conclusion, we describe the entire metabolite profile and its degree of elimination after administration of (-)-epicatechin-containing food. These results will help us understand more precisely the mechanisms and the main metabolites involved in the beneficial physiological effects of flavanols.",Elucidation of (-)-epicatechin metabolites after ingestion of chocolate by healthy humans.,"['Adult', 'Analysis of Variance', 'Area Under Curve', 'Cacao', 'Catechin', 'Chromatography, Reverse-Phase', 'Half-Life', 'Health', 'Humans', 'Limit of Detection', 'Mass Spectrometry', 'Reference Standards', 'Young Adult']","[None, None, None, 'metabolism', 'analogs & derivatives', 'standards', None, None, None, None, 'standards', None, None]",0.0,cocoa,0.1625,"['glucuronides', ""(-)-Epicatechin-3'-__-d-glucuronide"", 'LC-MS/MS-MRM', 'aglycone', 'flavanols', '(-)-epicatechin glucuronides', '(-)-epicatechin']",1,13
2209520,"Thoroughbred geldings were fed racehorse cubes containing a predetermined concentration of theobromine in the form of cocoa husk. They were offered 7 kg of cubes per day, divided between morning and evening feed, and food consumption was monitored. Urinary concentrations of theobromine were determined following the consumption of cubes containing 11.5, 6.6, 2.0 and 1.2 mg per kg of theobromine, to verify whether or not such concentrations would produce positive urine tests. Pre-dose urine samples were collected to verify the absence of theobromine before each experiment. It became apparent from the results of the first three administrations that the limit of detection of theobromine, using such procedures, would be reached at a feed level of about 1 mg per kg theobromine. Therefore the final administration, using cubes containing 1.2 mg per kg theobromine, was singled out for additional analytical work and quantitative procedures were developed to measure urinary concentrations of theobromine. It was anticipated that the results would form a basis for discussions relating to the establishment of a threshold value for theobromine in horse urine. The Stewards of the Jockey Club subsequently gave notice that they had established a threshold level for theobromine in urine of 2 micrograms/ml.",The excretion of theobromine in Thoroughbred racehorses after feeding compounded cubes containing cocoa husk--establishment of a threshold value in horse urine.,"['Animal Feed', 'Animals', 'Cacao', 'Chromatography, High Pressure Liquid', 'Gas Chromatography-Mass Spectrometry', 'Horses', 'Male', 'Reference Values', 'Reproducibility of Results', 'Theobromine']","[None, None, None, None, None, 'metabolism', None, None, None, 'administration & dosage']",,cocoa,0.17543859649122806,['theobromine'],1,10
21548445,"Labeling of major food allergens is mandatory for the safety of allergic consumers. Although enzyme-linked immunosorbent assay, polymerase chain reaction, and mass spectrometry are sensitive and specific instruments to detect trace amounts of food proteins, they cannot measure the ability of food constituents to trigger activation of mast cells or basophils.",Human basophils: a unique biological instrument to detect the allergenicity of food.,"['Allergens', 'Antigens, CD', 'Arachis', 'Basophils', 'Case-Control Studies', 'Child', 'Female', 'Food Hypersensitivity', 'Humans', 'Immunoglobulin E', 'Male', 'Mast Cells', 'Peanut Hypersensitivity', 'Platelet Membrane Glycoproteins', 'Tetraspanin 30']","['immunology', 'genetics', 'immunology', 'immunology', None, None, None, 'immunology', None, 'immunology', None, 'immunology', 'immunology', 'genetics', None]",0.0,cocoa,0.0,[],1,0
12557249,"Essential oils and their corresponding hydrosols, obtained after distillation of various scented Pelargonium (Geraniaceae) leaves were assessed for their antimicrobial activity in a model food system. Both the essential oils and hydrosols were used at 1000 ppm in broccoli soup, previously inoculated with Enterobacter aerogenes (at 10(5) cfu g(-1)) and Staphylococcus aureus (at 10(4) cfu g(-1)). The results showed a complete inhibition of S. aureus in the broccoli soup by the essential oils of 'Sweet Mimosa', 'Mabel Grey', P. graveolens, 'Atomic Snowflake', 'Royal Oak', 'Attar of Roses' and a lesser effect by 'Chocolate Peppermint' and 'Clorinda'; the hydrosols, however, had a potentiating effect on the bacterial population in the food. Both extracts showed a complete inhibition of S. aureus in the Maximum Recovery Diluent (MRD). Antibacterial activity against E. aerogenes in the broccoli soup was generally very much reduced: only the essential oil of 'Mabel Grey' showed complete inhibition and virtually no reductions in colonies were seen with the other essential oils; the hydrosols again caused an increase in bacterial colonies. All the essential oils, bar Chocolate Peppermint showed complete inhibition of E. aerogenes in MRD, but the hydrosols showed no effect. The results strongly suggest that the residual hydrosols from distillation of these plant essential oils have no potential as antibacterial agents in foods, in contrast to most of the essential oils, which show potential against some micro-organisms, but only in some food systems. The problem of food component interference and its possible management is discussed.",The comparative effect of novel Pelargonium essential oils and their corresponding hydrosols as antimicrobial agents in a model food system.,"['Brassica', 'Chromatography, Gas', 'Enterobacter aerogenes', 'Food Microbiology', 'Food Preservatives', 'Foodborne Diseases', 'Humans', 'Microbial Sensitivity Tests', 'Pelargonium', 'Phytotherapy', 'Plant Leaves', 'Plant Oils', 'Staphylococcus aureus']","[None, None, 'drug effects', None, 'administration & dosage', 'prevention & control', None, None, None, None, None, 'pharmacology', 'drug effects']",0.0,cocoa,0.0,[],1,0
24804047,"Acrylamide (AA) is a chemical found in starchy foods that have been cooked at high temperatures. The objective of this study is to monitor the levels of AA in a total of 274 samples of potato chips, chips (except potato chips), biscuits, French fries, breakfast cereals, chocolate products, tea, seasoned laver, and nut products sampled in Korean market. These processed foods include (1) potato chips, (2) chips (except potato chips), (3) biscuits, (4) French fries, (5) breakfast cereals, (6) chocolate products, (7) tea, (8) seasoned laver, and (9) nut products. Samples used for this study were cleaned up using HLB Oasis polymeric and Accucat mixed-mode anion and cation exchange solid-phase extraction cartridge. Liquid chromatography-tandem mass spectroscopy (LC-MS/MS) was validated in-house as an efficient analytical method for the routine analysis of AA in various food products. AA was detected with a Fortis dC18 (1.7 __m, 100 mm _ 2.1 mm) column using 0.5% methanol/0.1% acetic acid in water as the mobile phase. Good results were obtained with respect to repeatability (RSDs < 5%). The recoveries obtained for a variety of food matrices ranged between 94.5% and 107.6%. Quantification during routine monitoring was sensitive enough to detect AA at a concentration of 10 __g/kg. A total of 274 food samples were analyzed for AA. The AA levels in the food groups were in the following order: potato chips > French fries > biscuits > tea > chips (except potato chips) > seasoned laver > breakfast cereals > chocolate products > nut products. AA was detected at levels ranging from not detectable to 1435 __g/kg. ",In-house-validated liquid chromatography-tandem mass spectrometry (LC-MS/MS) method for survey of acrylamide in various processed foods from Korean market.,[],[],0.0,cocoa,0.07777777777777778,"['acetic acid', 'Acrylamide', 'AA', 'HLB Oasis']",1,7
26590272,"Microbial starter cultures have extensively been used to enhance the consistency and efficiency of industrial fermentations. Despite the advantages of such controlled fermentations, the fermentation involved in the production of chocolate is still a spontaneous process that relies on the natural microbiota at cocoa farms. However, recent studies indicate that certain thermotolerant Saccharomyces cerevisiae cultures can be used as starter cultures for cocoa pulp fermentation. In this study, we investigate the potential of specifically developed starter cultures to modulate chocolate aroma. Specifically, we developed several new S. cerevisiae hybrids that combine thermotolerance and efficient cocoa pulp fermentation with a high production of volatile flavor-active esters. In addition, we investigated the potential of two strains of two non-Saccharomyces species that produce very large amounts of fruity esters (Pichia kluyveri and Cyberlindnera fabianii) to modulate chocolate aroma. Gas chromatography-mass spectrometry (GC-MS) analysis of the cocoa liquor revealed an increased concentration of various flavor-active esters and a decrease in spoilage-related off-flavors in batches inoculated with S. cerevisiae starter cultures and, to a lesser extent, in batches inoculated with P. kluyveri and Cyb. fabianii. Additionally, GC-MS analysis of chocolate samples revealed that while most short-chain esters evaporated during conching, longer and more-fat-soluble ethyl and acetate esters, such as ethyl octanoate, phenylethyl acetate, ethyl phenylacetate, ethyl decanoate, and ethyl dodecanoate, remained almost unaffected. Sensory analysis by an expert panel confirmed significant differences in the aromas of chocolates produced with different starter cultures. Together, these results show that the selection of different yeast cultures opens novel avenues for modulating chocolate flavor.",Tuning Chocolate Flavor through Development of Thermotolerant Saccharomyces cerevisiae Starter Cultures with Increased Acetate Ester Production.,"['Acetates', 'Cacao', 'Esters', 'Fermentation', 'Flavoring Agents', 'Hot Temperature', 'Humans', 'Saccharomyces cerevisiae', 'Taste']","['metabolism', 'chemistry', 'chemistry', None, 'chemistry', None, None, 'chemistry', None]",1.0,cocoa,0.13793103448275862,"['volatile flavor-active esters', 'acetate esters', 'fruity esters', 'esters', 'ethyl phenylacetate', 'ethyl dodecanoate', 'chocolates', 'ethyl octanoate', 'ethyl', 'phenylethyl acetate', 'short-chain esters', 'decanoate']",1,12
28288289,To assess the effect of four different children's drinks on color stability of resin dental composites.,Effect of Children's Drinks on Color Stability of Different Dental Composites: An in vitro Study.,"['Beverages', 'Color', 'Composite Resins', 'Humans', 'Spectrophotometry', 'Surface Properties']","[None, None, 'chemistry', None, None, None]",,cocoa,0.0,[],1,0
25077686,"The influence of thermally induced reaction products of a known dietary bitter compound, catechin, on bitterness perception was investigated. Catechin was reacted in low-moisture simple Maillard models (200 _C for 15 min) consisting of glycine and a reducing sugar (D-glucose, D-xylose, or D-galactose). Based on liquid chromatrography-mass spectrometry (LC-MS) isotopic labeling techniques, eight reaction products were identified and subsequently structurally elucidated by tandem LC-MS/MS and two-dimensional NMR analysis; six were report to be flavan-3-ol-spiro-C-glycosides reaction products. One of the spiro products was reported to significantly suppress the perceived bitterness intensity of a caffeine solution. Additionally, this specific spiro product was further identified in cocoa and reported to increase in concentration during bean roasting.",Identification of bitter modulating maillard-catechin reaction products.,"['Adult', 'Cacao', 'Catechin', 'Cooking', 'Female', 'Flavoring Agents', 'Hot Temperature', 'Humans', 'Maillard Reaction', 'Male', 'Mass Spectrometry', 'Molecular Structure', 'Taste', 'Young Adult']","[None, 'chemistry', 'chemistry', None, None, 'chemistry', None, None, None, None, None, None, None, None]",1.0,cocoa,0.24324324324324326,"['low-moisture simple Maillard', 'D-glucose', 'D-xylose', 'glycine', 'caffeine', 'D-galactose', 'Catechin', 'catechin', 'flavan-3-ol-spiro-C-glycosides']",1,9
24165745,"Pigments of food and beverages could affect dental bleaching efficacy. The aim of this investigation was to evaluate color change and mineral loss of tooth enamel as well as the influence of staining solutions normally used by adolescent patients undergoing home bleaching. Initial hardness and baseline color were measured on enamel blocks. Specimens were divided into five groups (n=5): G1 (control) specimens were kept in artificial saliva throughout the experiment (3 weeks); G2 enamel was exposed to 10% carbamide peroxide for 6 h daily, and after this period, the teeth were cleaned and stored in artificial saliva until the next bleaching session; and G3, G4, and G5 received the same treatments as G2, but after bleaching, they were stored for 1 h in cola soft drink, melted chocolate, or red wine, respectively. Mineral loss was obtained by the percentage of hardness reduction, and color change was determined by the difference between the data obtained before and after treatments. Data were subjected to analysis of variance and Fisher's test (_±=0.05). G3 and G5 showed higher mineral loss (92.96 _± 5.50 and 94.46 _± 1.00, respectively) compared to the other groups (p ___ 0.05). G5 showed high-color change (9.34 _± 2.90), whereas G1 presented lower color change (2.22 _± 0.44) (p ___ 0.05). Acidic drinks cause mineral loss of the enamel, which could modify the surface and reduce staining resistance after bleaching.",Mineral loss and color change of enamel after bleaching and staining solutions combination.,"['Analysis of Variance', 'Animals', 'Beverages', 'Cattle', 'Color', 'Dental Enamel', 'Hardness', 'Peroxides', 'Spectrophotometry', 'Tooth Bleaching Agents', 'Tooth Demineralization', 'Urea']","[None, None, None, None, None, 'chemistry', 'drug effects', 'pharmacology', None, 'pharmacology', None, 'analogs & derivatives']",,cocoa,0.02631578947368421,"['92.96 _', 'carbamide peroxide']",1,2
11696092,The aim of this study was to identify the causative agent of a smoky/phenolic taint in refrigerated full cream chocolate milk.,Formation of guaiacol in chocolate milk by the psychrotrophic bacterium Rahnella aquatilis.,"['Animals', 'Benzaldehydes', 'Cacao', 'Cold Temperature', 'Colony Count, Microbial', 'Food Microbiology', 'Food Preservation', 'Gas Chromatography-Mass Spectrometry', 'Guaiacol', 'Milk', 'Rahnella']","[None, None, 'microbiology', None, None, None, None, None, 'chemistry', 'microbiology', 'growth & development']",0.0,cocoa,0.0,[],1,0
28764077,"Infants and toddlers are highly vulnerable to exposure to lead due to its higher absorption in small children than in adults. This study describes the optimisation and validation of a very sensitive method for the determination of low levels of lead in foods mostly consumed by infants and toddlers. This method, based on inductively coupled plasma-mass spectrometry with a programmable temperature cyclonic spray chamber, attained a limit of quantification (LOQ) of 0.6 or 0.9_µgPbkg",Levels of lead in foods from the first French total diet study on infants and toddlers.,"['Child, Preschool', 'Diet', 'Diet Surveys', 'Feeding Behavior', 'Food', 'Humans', 'Infant', 'Lead']","[None, None, None, None, None, None, None, None]",0.0,cocoa,0.0,[],1,0
16076092,"A rapid liquid chromatography electrospray ionization tandem mass spectrometry with negative ion detection method was developed and validated to determine cocoa flavonoid metabolites in human plasma and urine after the intake of a standard portion of a cocoa beverage. A chromatographic run time of only 9 min provided clear separation of all metabolites and internal standards. Samples were analyzed in a product-ion scan of m/z 289, 369, and 465 to identify the metabolites and in multiple reaction monitoring acquisition mode to quantify (-)-epicatechin ((-)-Ec) (289/ 245), (-)-epicatechin-glucuronide ((-)-EcG) (465/289), and (-)-epicatechin-sulfate ((-)-EcS) (369/289). One (-)-Ec-G and three (-)-Ec-S were identified and confirmed in urine as the major metabolites, and one (-)-Ec-G was the only metabolite present in plasma volunteers (n = 5) at a mean concentration of 625.7 +/- 198.3 nmol/L at 2 h after consumption of a cocoa beverage containing 54.4 mg of (-)-Ec.",Rapid liquid chromatography tandem mass spectrometry assay to quantify plasma (-)-epicatechin metabolites after ingestion of a standard portion of cocoa beverage in humans.,"['Adolescent', 'Adult', 'Beverages', 'Cacao', 'Catechin', 'Chromatography, Liquid', 'Female', 'Flavonoids', 'Humans', 'Male', 'Mass Spectrometry', 'Middle Aged', 'Spectrometry, Mass, Electrospray Ionization']","[None, None, None, 'chemistry', 'blood', 'methods', None, 'administration & dosage', None, None, 'methods', None, None]",0.0,cocoa,0.09302325581395349,"['(-)-EcG', '(-)-epicatechin-sulfate', '(-)-epicatechin-glucuronide', '(-)-epicatechin']",1,4
12059153,"The cocoa roasting process at different temperatures (at 125 and 135 degrees C for 3 min, plus 44 and 52 min, respectively, heating-up times) was evaluated by measuring the initial and final free amino acids distribution, flavor index, formol number, browning measurement, and alkylpyrazines content in 15 cocoa bean samples of different origins. These samples were also analyzed in manufactured cocoa powder. The effect of alkalinization of cocoa was studied. Results indicated that the final concentration and ratio of tetramethylpyrazine/trimethylpyrazine (TMP/TrMP) increased rapidly at higher roasting temperatures. The samples roasted with alkalies (pH between 7.20 and 7.92), such as sodium carbonate, or potassium plus air injected in the roaster during thermal treatment, exhibited a greater degree of brown color formation, but the amount of alkylpyrazines generated was adversely affected. The analysis of alpha-free amino acids at the end of the roasting process demonstrated the importance of the thermal treatment conditions and the pH values on nibs (cocoa bean cotyledons), liquor, or cocoa. Higher pH values led to a lower concentration of aroma and a higher presence of brown compounds.",Factors affecting the formation of alkylpyrazines during roasting treatment in natural and alkalinized cocoa powder.,"['Amino Acids', 'Cacao', 'Carbonates', 'Chemical Phenomena', 'Chemistry, Physical', 'Food Handling', 'Gas Chromatography-Mass Spectrometry', 'Hydrogen-Ion Concentration', 'Indicators and Reagents', 'Potassium', 'Pyrazines', 'Spectrophotometry', 'Taste']","['analysis', 'chemistry', None, None, None, None, None, None, None, None, 'analysis', None, None]",1.0,cocoa,0.13333333333333333,"['potassium', 'cocoa', 'amino acids', 'sodium carbonate', 'cocoa roasting', 'alkylpyrazines', 'tetramethylpyrazine/trimethylpyrazine', 'final free amino acids']",1,8
20100378,"An increasing number of scientific studies support that flavanol-rich foods and beverages such as cocoa can promote human health, and are beneficial agents for the prevention of some diseases. Our previous studies showed that long-term cocoa intake enhances the antioxidant status in lymphoid organs and also modulates lymphocyte functionality in healthy young rats. Cocoa polyphenolic antioxidants seem to be the best candidates for those effects. However, data regarding polyphenol metabolites in tissues after a long-term cocoa intake are scarce. In the present study we mainly focus on the uptake and accumulation of epicatechin metabolites in lymphoid organs, including the thymus, spleen and mesenteric lymphoid nodes, as well as in the liver and testes after a diet rich in cocoa. Ten young weaned Wistar rats were fed randomly with a 10 % (w/w) cocoa diet or a control diet for 3 weeks, corresponding to their infancy and youth. Tissues were treated with a solid-phase extraction and analysed by liquid chromatography-tandem MS. The major compounds recovered in these tissues were glucuronide derivatives of epicatechin and methylepicatechin. The highest concentration of these metabolites was found in the thymus, testicles and liver, followed by lymphatic nodes and spleen. The high amount of epicatechin metabolites found in the thymus supports our previous findings showing its high antioxidant capacity compared with other tissues such as the spleen. Moreover, this is the first time that epicatechin metabolites have been found in high concentrations in the testes, confirming other studies that have suggested the testes as an important site of oxidation.",Distribution of epicatechin metabolites in lymphoid tissues and testes of young rats with a cocoa-enriched diet.,"['Animals', 'Cacao', 'Catechin', 'Diet', 'Female', 'Liver', 'Lymphoid Tissue', 'Male', 'Rats', 'Rats, Wistar', 'Testis']","[None, 'metabolism', 'metabolism', None, None, 'metabolism', 'metabolism', None, None, None, 'metabolism']",0.0,cocoa,0.09090909090909091,"['epicatechin', 'cocoa', 'glucuronide', 'Cocoa polyphenolic', 'polyphenol']",1,8
28130543,"The detection of disaccharides in urine is under investigation to act as a marker for intravenous abuse of disaccharide formulations, like liquid methadone with syrup (sucrose), methadone tablets (lactose and sucrose), or buprenorphine tablets (lactose). As the detection time in urine has not yet been investigated and a routine method for detecting disaccharides is still lacking, a study was performed to estimate the window of detection in urine after intravenous consumption of disaccharides. Furthermore, an analytical LC-MSMS method for the quantification of sucrose and lactose in urine was validated. The method was applied to urine samples of intravenous substitute consumers, with urine being sampled before intravenous use of substitutes and approximately 30 minutes later. Twenty users provided information regarding their most recent prior intravenous consumption. Disaccharides were detectable in all 20 urine samples about 30 minutes after consumption. A cut off for both disaccharides of 40mg/L was used. Based on these conditions 81% of the persons who consumed in a time frame of 24 hours ago showed positive results for disaccharides. The study showed that the validated LC-MSMS method with an easy and fast workup is usable for daily routine in the laboratory. It might be helpful for methadone and buprenorphine prescribing physicians to check whether the opiate maintenance treatment patient takes his or her substitution medicines orally as intended, or continues with intravenous misuse by injecting substitution medicines instead of heroin.",Monitoring Intravenous Abuse of Methadone or Buprenorphine in Opiate Maintenance Treatment (OMT): A Simple and Fast LC-MS-MS Method for the Detection of Disaccharides in Urine Samples.,"['Adult', 'Biomarkers', 'Buprenorphine', 'Carbonated Beverages', 'Case-Control Studies', 'Chocolate', 'Chromatography, Liquid', 'Female', 'Humans', 'Lactose', 'Limit of Detection', 'Male', 'Methadone', 'Middle Aged', 'Opiate Alkaloids', 'Reproducibility of Results', 'Substance Abuse Detection', 'Substance Abuse, Intravenous', 'Sucrose', 'Tandem Mass Spectrometry', 'Young Adult']","[None, 'urine', 'urine', None, None, None, None, None, None, 'urine', None, None, 'urine', None, 'urine', None, 'methods', 'urine', 'urine', None, None]",0.0,cocoa,0.24050632911392406,"['disaccharides of', 'Disaccharides', 'sucrose', 'syrup', 'methadone', 'heroin', 'buprenorphine', 'disaccharides', 'lactose']",1,19
18032884,"The beneficial effects of cocoa polyphenols depend on the amount consumed, their bioavailability and the biological activities of the formed conjugates. The food matrix is one the factors than can affect their bioavailability, but previous studies have concluded rather contradictory results about the effect of milk on the bioavailability of polyphenols.",Milk does not affect the bioavailability of cocoa powder flavonoid in healthy human.,"['Adolescent', 'Adult', 'Animals', 'Biological Availability', 'Cacao', 'Chromatography, Liquid', 'Cross-Over Studies', 'Female', 'Flavonoids', 'Humans', 'Male', 'Middle Aged', 'Milk', 'Prospective Studies', 'Tandem Mass Spectrometry']","[None, None, None, None, None, None, None, None, 'pharmacokinetics', None, None, None, None, None, None]",,cocoa,0.13333333333333333,"['polyphenols', 'cocoa polyphenols']",1,2
18502705,"Flavonoids, a subclass of polyphenols, are major constituents of many plant-based foods and beverages, including tea, wine and chocolate. Epidemiological studies have shown that a flavonoid-rich diet is associated with reduced risk of cardiovascular diseases. The majority of the flavonoids survive intact until they reach the colon where they are then extensively metabolized into smaller fragments. Here, we describe the development of GC-MS-based methods for the profiling of phenolic microbial fermentation products in urine, plasma, and fecal water. Furthermore, the methods are applicable for profiling products obtained from in vitro batch culture fermentation models. The methods incorporate enzymatic deconjugation, liquid-liquid extraction, derivatization, and subsequent analysis by GC-MS. At the level of individual compounds, the methods gave recoveries better than 80% with inter-day precision being better than 20%, depending on the matrix. Limits of detection were below 0.1 microg/ml for most phenolic acids. The newly developed methods were successfully applied to samples from human and in-vitro intervention trials, studying the metabolic impact of flavonoid intake. In conclusion, the methods presented are robust and generally applicable to diverse biological fluids. Its profiling character is useful to investigate on a large scale the gut microbiome-mediated bioavailability of flavonoids.",GC-MS methods for metabolic profiling of microbial fermentation products of dietary polyphenols in human and in vitro intervention studies.,"['Colon', 'Computational Biology', 'Diet', 'Feces', 'Fermentation', 'Flavonoids', 'Gas Chromatography-Mass Spectrometry', 'Humans', 'Metabolism', 'Phenols', 'Phenylacetates', 'Polyphenols', 'Reproducibility of Results', 'Uncertainty']","['microbiology', 'methods', None, 'chemistry', 'physiology', 'blood', 'methods', None, None, 'blood', 'blood', None, None, None]",0.0,cocoa,0.07575757575757576,"['polyphenols', 'flavonoid-rich', 'acids', 'flavonoids']",1,5
27055484,"Analysis of the complex composition of cocoa beans provides fundamental information for evaluating the quality and nutritional aspects of cocoa-based food products, nutraceuticals and supplements. Cameroon, the world's fourth largest producer of cocoa, has been defined as ""Africa in miniature"" because of the variety it habitats. In order to evaluate the nutritional characteristics of cocoa beans from five different regions of Cameroon, we studied their polyphenolic content, volatile compounds and fatty acids composition. The High Performance Thin Layer Chromatography (HPTLC) analysis showed that the Mbalmayo sample had the highest content of theobromine (11.6___mg/g) and caffeic acid (2.1___mg/g), while the Sanchou sample had the highest level of (-)-epicatechin (142.9___mg/g). Concerning fatty acids, the lowest level of stearic acid was found in the Mbalmayo sample while the Bertoua sample showed the highest content of oleic acid. Thus, we confirmed that geographical origin influences the quality and nutritional characteristics of cocoa from these regions of Cameroon. ","Nutritional composition, bioactive compounds and volatile profile of cocoa beans from different regions of Cameroon.","['Antioxidants', 'Cacao', 'Caffeic Acids', 'Cameroon', 'Catechin', 'Chocolate', 'Cinnamates', 'Dietary Fats', 'Dietary Supplements', 'Fatty Acids', 'Flavonoids', 'Food Quality', 'Humans', 'Nutritive Value', 'Principal Component Analysis', 'Seeds', 'Theobromine', 'Vegetable Proteins', 'Volatile Organic Compounds', 'Xanthines']","['analysis', 'chemistry', 'analysis', None, 'analysis', 'analysis', 'analysis', 'analysis', 'analysis', 'analysis', 'analysis', None, None, None, None, 'chemistry', 'analysis', 'analysis', 'analysis', 'analysis']",2.0,cocoa,0.1346153846153846,"['caffeic acid', 'theobromine', 'stearic acid', 'oleic acid', 'fatty acids', '(-)-epicatechin']",1,7
18024588,"Chemical analyses of residues extracted from pottery vessels from Puerto Escondido in what is now Honduras show that cacao beverages were being made there before 1000 B.C., extending the confirmed use of cacao back at least 500 years. The famous chocolate beverage served on special occasions in later times in Mesoamerica, especially by elites, was made from cacao seeds. The earliest cacao beverages consumed at Puerto Escondido were likely produced by fermenting the sweet pulp surrounding the seeds.",Chemical and archaeological evidence for the earliest cacao beverages.,"['Alcoholic Beverages', 'Archaeology', 'Beverages', 'Cacao', 'Caffeine', 'Ceramics', 'Equipment Design', 'Fermentation', 'Food Packaging', 'Gas Chromatography-Mass Spectrometry', 'History, Ancient', 'Honduras', 'Humans', 'Indians, Central American', 'Theobromine']","['history', None, 'history', 'chemistry', 'analysis', 'history', None, None, 'history', None, None, None, None, 'history', 'analysis']",0.0,cocoa,0.08695652173913043,"['Honduras', 'cacao']",1,2
20598878,"The aim of this work was to conduct the experimental study of pyrolysis of fast-growing aquatic biomass -Lemna minor (commonly known as duckweed) with the emphasis on the characterization of main products of pyrolysis. The yields of pyrolysis gas, pyrolytic oil (bio-oil) and char were determined as a function of pyrolysis temperature and the sweep gas (Ar) flow rate. Thermogravimetric/differential thermogravimetric (TG/DTG) analyses of duckweed samples in inert (helium gas) and oxidative (air) atmosphere revealed differences in the TG/DTG patterns obtained for duckweed and typical plant biomass. The bio-oil samples produced by duckweed pyrolysis at different reaction conditions were analyzed using GC-MS technique. It was found that pyrolysis temperature had minor effect on the bio-oil product slate, but exerted major influence on the relative quantities of the individual pyrolysis products obtained. While, the residence time of the pyrolysis vapors had negligible effect on the yield and composition of the duckweed pyrolysis products.",Pyrolysis of fast-growing aquatic biomass -Lemna minor (duckweed): Characterization of pyrolysis products.,"['Biofuels', 'Biomass', 'Gas Chromatography-Mass Spectrometry', 'Poaceae', 'Temperature', 'Thermogravimetry', 'Water']","[None, None, None, 'growth & development', None, None, None]",0.0,cocoa,0.02,['helium'],1,1
3941071,"Glycerol-3-phosphate acyltransferase has been purified from the post-microsomal supernatant of cocoa seeds using differential ammonium sulfate solubility along with anion exchange and gel filtration chromatography. Chromatofocusing and isoelectric focusing revealed a series of proteins with acyltransferase activity having isoelectric points close to 5.2. Gel filtration on Sephacryl S-300 in 500 mM NaCl, along with polyacrylamide gel electrophoresis (denaturing and non-denaturing) and immunochemical analysis, gave evidence that the native enzyme has a molecular weight of 2 X 10(5) and consists of an aggregate of 10 Mr 20,000 subunits. The highly purified enzyme carries an acyl donor, probably acyl-CoA, although this is not firmly established. The hydrophobic nature of the purified enzyme was demonstrated by its firm binding to octyl-Sepharose. Mass spectrometric analysis of reaction products revealed the presence of both palmitic and stearic acids. Considering that 1) the fatty acids were derived from the purified enzyme; 2) they were found exclusively in the 1-position of glycerol 3-phosphate; 3) the fatty acid positioning and composition is consistent with that found in cocoa butter, the major storage product of cocoa seeds; and 4) the enzyme is found in the post-microsomal supernatant, it seems reasonable to conclude that the first step in cocoa butter biosynthesis is catalyzed by glycerol-3-phosphate acyltransferase in the cytoplasm of cocoa cotyledon cells.",Cocoa butter biosynthesis. Purification and characterization of a soluble sn-glycerol-3-phosphate acyltransferase from cocoa seeds.,"['Acyltransferases', 'Animals', 'Cacao', 'Chromatography, Gel', 'Glycerol-3-Phosphate O-Acyltransferase', 'Isoelectric Focusing', 'Kinetics', 'Macromolecular Substances', 'Molecular Weight', 'Plants, Edible', 'Rabbits', 'Radioimmunoassay', 'Seeds', 'Solubility']","['isolation & purification', None, 'enzymology', None, 'isolation & purification', None, None, None, None, 'enzymology', None, None, 'analysis', None]",0.0,cocoa,0.22033898305084745,"['NaCl', 'stearic acids', 'cocoa butter', 'polyacrylamide', 'cocoa seeds', 'glycerol 3-phosphate', 'fatty acids', 'Glycerol-3-phosphate', 'palmitic', 'ammonium sulfate', 'glycerol-3-phosphate', 'fatty acid']",1,13
18969491,"An optical chemical sensor based on immobilization of 2-(5-bromo-2-pyridylazo)-5-(diethylamino)phenol (Br-PADAP) in Nafion membrane is described. The membranes were cast onto glass substrates and were used for the determination of nickel in aqueous solutions by spectrophotometry. The sensor system is highly transparent, mechanically stable and showed no evidence of reagent leaching. The influence of several parameters such as pH, ligand concentration, and type and concentration of regenerating solution were optimized. The sensor system showed good sensitivity in the range 0.5-20mugml(-1) with a detection limit of 0.3mugml(-1) Ni(II). The sensor has been incorporated into a home-made flow-through cell for determination of nickel in flowing streams with improved sensitivity, precision and detection limit. The calibration curve in the flow system was linear in the range 0.1-16mugml(-1) with a detection limit of 0.07mugml(-1). The sensor is easily regenerated by dilute nitric acid solution. The proposed method was successfully applied to the determination of nickel content in vegetable oil and chocolate samples and the results were compared with those obtained using atomic absorption spectrometry.",Development of an optical chemical sensor based on 2-(5-bromo-2-pyridylazo)-5-(diethylamino)phenol in Nafion for determination of nickel ion.,[],[],0.0,cocoa,0.10526315789473684,"['Nafion', 'nickel', '2-(5-bromo-2-pyridylazo)-5-(diethylamino)phenol', 'nitric acid']",1,6
10563905,"Color-generating reactions of protein-bound lysine with carbohydrates were studied under thermal as well as under physiological conditions to gain insights into the role of protein/carbohydrate reactions in the formation of food melanoidins as well as nonenzymatic browning products in vivo. EPR spectroscopy of orange-brown melanoidins, which were isolated from heated aqueous solutions of bovine serum albumin and glycolaldehyde, revealed the protein-bound 1,4-bis(5-amino-5-carboxy-1-pentyl)pyrazinium radical cation (CROSSPY) as a previously unknown type of cross-linking amino acid leading to protein dimerization. To verify their formation in foods, wheat bread crust and roasted cocoa as well as coffee beans, showing elevated nonenzymatic browning, were investigated by EPR spectroscopy. An intense radical was detected, which, by comparison with the radical formed upon reaction bovine serum albumin with glycolaldehyde, was identified as the protein-bound CROSSPY. The radical-assisted protein oligomerization as well as the browning of bovine serum albumin in the presence of glycolaldehyde occurred also rapidly under physiological conditions, thereby suggesting CROSSPY formation to be probably involved also in nonenzymatic glycation reactions in vivo.",Radical-assisted melanoidin formation during thermal processing of foods as well as under physiological conditions.,"['Chromatography, High Pressure Liquid', 'Color', 'Cooking', 'Electron Spin Resonance Spectroscopy', 'Food Analysis', 'Food Handling', 'Free Radicals', 'Mass Spectrometry', 'Polymers', 'Spectrophotometry, Ultraviolet', 'Sulfites']","[None, None, None, None, None, None, None, None, 'chemical synthesis', None, 'chemistry']",0.0,cocoa,0.21153846153846154,"['glycolaldehyde', 'carbohydrates', 'bovine', 'roasted cocoa', 'amino acid', 'lysine', 'coffee beans']",1,11
29899211,"Thaumatin-like protein from banana (designated BanTLP) has been purified by employing a simple protocol consisting of diethylaminoethyl Sephadex (DEAE__Sephadex) chromatography, gel filtration on Sephadex G50, and reversed-phase chromatography. The purified protein was identified by MALDI-TOF mass spectrometry, with an estimated molecular weight of 22.1 kDa. BanTLP effectively inhibited in vitro spore germination of ",Antifungal Activity of an Abundant Thaumatin-Like Protein from Banana against ,[],[],0.0,cocoa,0.058823529411764705,['DEAE_\x81_Sephadex'],1,1
14509366,"We previously reported the inhibitory effect of various methyloxantines and phenolic compounds on tumor-induced angiogenesis and the production of angiogenic growth factors. The aim of the present work was to evaluate the effect of chocolate (CH), food containing substantial amounts of methyloxantine theobromine and polyphenols (mainly catechins), given to mice during pregnancy and the lactation period, on weight of organs, length of limbs, and bone vascular endothelial growth factor (VEGF) concentration (tested by ELISA), in 4-week old offspring. The study was performed on 2-month old Balb/c mice fed during pregnancy and lactation 400 mg of CH daily. Content of polyphenols (catechines) and theobromine in the chocolate was estimated by high liquid perforance chromatography (HPLC). Concentration of VEGF was tested by ELISA. Feeding pregnant mice chocolate produced the following effects: decrease of relative length of limbs and thigh bones in 4-week old progeny and decrease in VEGF content of offspring femoral bones.",Chocolate feeding of pregnant mice influences length of limbs of their progeny.,"['Administration, Oral', 'Animal Feed', 'Animals', 'Animals, Newborn', 'Bone and Bones', 'Cacao', 'Chromatography, High Pressure Liquid', 'Enzyme-Linked Immunosorbent Assay', 'Female', 'Mice', 'Mice, Inbred BALB C', 'Phytotherapy', 'Pregnancy', 'Vascular Endothelial Growth Factor A']","[None, None, None, None, 'drug effects', None, None, None, None, None, None, None, None, 'drug effects']",,cocoa,0.08928571428571429,"['methyloxantine theobromine', 'polyphenols', 'catechins', 'theobromine']",1,5
28272800,"Many factors can influence antioxidative and antimicrobial characteristics of plant materials. The quality of cocoa as functional food ingredient is influenced through its processing. The main aim of this study was to test if there is difference in polyphenol content, antioxidant capacity, and antimicrobial activity between nonalkalized and alkalized cocoa powders. To estimate polyphenol and flavonoid content in cocoa samples the spectrophotometric microassays were used. Flavan-3ols were determined with reversed-phase high-performance liquid chromatography (RP-HPLC). Antimicrobial activity against 3 Gram positive bacteria, 4 Gram negative bacteria and 1 strain of yeast was determined using broth microdilution method. Total polyphenol content was 1.8 times lower in alkalized cocoa samples than in natural ones. Epicatechin/catechin ratio was changed due to the process of alkalization in favor of catechin (2.21 in natural and 1.45 in alkalized cocoa powders). Combined results of 3 antioxidative tests (DPPH, FRAP, ABTS) were used for calculation of RACI (Relative Antioxidant Capacity Index) and GAS (Global Antioxidant Score) values that were consistently higher in natural than in alkalized cocoa extracts. Obtained results have shown significant correlations between these values and phenolic content (0.929 ___ r ___ 0.957, P < 0.01). Antimicrobial activity varied from 5.0 to 25.0 mg/ml (MICs), while Candida albicans was the most sensitive tested microorganism. Cocoa powders subjected to alkalization had significantly reduced content of total and specific phenolic compounds and reduced antioxidant capacity (P < 0.05), but their antimicrobial activity was equal for Gram-positive bacteria or even significantly enhanced for Gram-negative bacteria.","Correlation between Antimicrobial, Antioxidant Activity, and Polyphenols of Alkalized/Nonalkalized Cocoa Powders.","['Anti-Infective Agents', 'Antioxidants', 'Cacao', 'Candida albicans', 'Catechin', 'Chromatography, Reverse-Phase', 'Color', 'Flavonoids', 'Gram-Negative Bacteria', 'Gram-Positive Bacteria', 'Hydrogen-Ion Concentration', 'Microbial Sensitivity Tests', 'Plant Extracts', 'Polyphenols', 'Powders', 'Proanthocyanidins']","['pharmacology', 'pharmacology', 'chemistry', 'drug effects', 'pharmacology', None, None, 'pharmacology', 'drug effects', 'drug effects', None, None, 'pharmacology', 'pharmacology', None, 'pharmacology']",1.0,cocoa,0.0898876404494382,"['flavonoid', 'cocoa', 'polyphenol', 'ABTS', 'MICs', 'catechin']",1,8
19272093,"Synopsis Non-saponifiable lipid fraction (ICSB) extracted from cocoa shell butter was solubilized in dimethylformamide (DMF) and analysed for its biological activity on growth of rat and human fibroblasts. Non-saponifiables (10 mug ml(-1)) partially protected cells from toxicity of DMF (1%) and allowed the growth of fibroblasts cultivated in optimal conditions (10% fetal calf serum-FCS, 37 degrees C) or improved the survival of cells maintained in altered conditions (2.5% FCS, 35 degrees C). At higher concentration (ICSB 50 mug ml(-1), DMF 1%), the protective effect was suppressed. ICSB was fractionated by chromatography into four compounds: sterols, terpenic alcohols, tocopherols and hydrocarbons +/- carotenoids. We found that biological activity of ICSB was mostly due to the major fraction containing sterols.",Non-saponifiable fraction of cocoa shell butter: effect on rat and human skin fibroblasts.,[],[],,cocoa,0.21568627450980393,"['FCS', 'dimethylformamide', 'DMF', 'tocopherols', 'cocoa shell butter', 'hydrocarbons', 'carotenoids', 'sterols']",1,11
28911615,"Candies, chewing gums, dried fruits, jellies, chocolate, and shredded squid pieces imported from 17 countries were surveyed for their aluminum content. The samples were bought from candy shops, supermarkets, and convenience stores, and through online shopping. Sample selection focused on imported candies and snacks. A total of 67 samples, including five chewing gums, seven dried fruits, 13 chocolates, two jellies, two dried squid pieces, and 38 candies, were analyzed. The content of aluminum was analyzed by inductively coupled plasma optical emission spectrometry (ICP OES). The limit of quantitation for aluminum was 1.53__mg/kg. The content of aluminum ranged from not detected (ND) to 828.9__mg/kg. The mean concentrations of aluminum in chewing gums, dried fruits, chocolate, jellies, dried squid pieces, and candies were 36.62__mg/kg, 300.06__mg/kg, 9.1__mg/kg, 2.3__mg/kg, 7.8__mg/kg, and 24.26__mg/kg, respectively. Some samples had relatively high aluminum content. The highest aluminum content of 828.9__mg/kg was found in dried papaya threads imported from Thailand. Candies imported from Thailand and Vietnam had aluminum contents of 265.7__mg/kg and 333.1__mg/kg, respectively. Exposure risk assessment based on data from the Taiwan National Food Consumption Database was employed to calculate the percent provisional tolerable weekly intake (%PTWI). The percent provisional tolerable weekly intake of aluminum for adults (19-50__years) and children (3-6__years) based on the consumption rate of the total population showed that candies and snacks did not contribute greatly to aluminum exposure. By contrast, in the exposure assessment based on the consumers-only consumption rate, the estimated values of weekly exposure to aluminum from dried papaya threads in adults (19-50__years) and children (3-6__years) were 4.18__mg/kg body weight (bw)/wk and 7.93__mg/kg bw/wk, respectively, for 50",Investigation of aluminum content of imported candies and snack foods in Taiwan.,"['Aluminum', 'Candy', 'Humans', 'Snacks', 'Taiwan']","[None, None, None, None, None]",1.0,cocoa,0.08823529411764706,"['bw/wk', 'aluminum']",1,9
16197573,"Dietary polyphenols are suggested to participate in the prevention of CVD and cancer. It is essential for epidemiological studies to be able to compare intake of the main dietary polyphenols in populations. The present paper describes a fast method suitable for the analysis of polyphenols in urine, selected as potential biomarkers of intake. This method is applied to the estimation of polyphenol recovery after ingestion of six different polyphenol-rich beverages. Fifteen polyphenols including mammalian lignans (enterodiol and enterolactone), several phenolic acids (chlorogenic, caffeic, m-coumaric, gallic, and 4-O-methylgallic acids), phloretin and various flavonoids (catechin, epicatechin, quercetin, isorhamnetin, kaempferol, hesperetin, and naringenin) were simultaneously quantified in human urine by HPLC coupled with electrospray ionisation mass-MS (HPLC-electrospray-tandem mass spectrometry) with a run time of 6 min per sample. The method has been validated with regard to linearity, precision, and accuracy in intra- and inter-day assays. It was applied to urine samples collected from nine volunteers in the 24 h following consumption of either green tea, a grape-skin extract, cocoa beverage, coffee, grapefruit juice or orange juice. Levels of urinary excretion suggest that chlorogenic acid, gallic acid, epicatechin, naringenin or hesperetin could be used as specific biomarkers to evaluate the consumption of coffee, wine, tea or cocoa, and citrus juices respectively.",Polyphenol levels in human urine after intake of six different polyphenol-rich beverages.,"['Adult', 'Beverages', 'Biomarkers', 'Cacao', 'Caffeine', 'Calibration', 'Case-Control Studies', 'Chromatography, High Pressure Liquid', 'Citrus paradisi', 'Citrus sinensis', 'Coffee', 'Diet', 'Female', 'Flavonoids', 'Humans', 'Male', 'Phenols', 'Polyphenols', 'Sensitivity and Specificity', 'Spectrometry, Mass, Electrospray Ionization', 'Statistics, Nonparametric', 'Tea', 'Theobromine', 'Time Factors']","[None, None, 'urine', None, None, None, None, None, None, None, None, None, None, 'administration & dosage', None, None, 'administration & dosage', None, None, None, None, None, None, None]",1.0,cocoa,0.35714285714285715,"['phenolic acids', 'chlorogenic acid', 'naringenin', 'gallic acid', 'chlorogenic', 'quercetin', 'catechin', 'polyphenols', 'coffee, wine, tea or cocoa', 'phloretin', 'caffeic', '4-O-methylgallic acids', 'kaempferol', 'gallic', 'grapefruit juice', 'green tea', 'hesperetin', 'enterolactone', 'epicatechin', 'flavonoids', 'extract, cocoa beverage, coffee', 'polyphenol', 'polyphenol-rich', 'isorhamnetin']",1,30
28959635,"Levels of organochlorine pesticides (OCPs) were determined in dried cocoa beans obtained from cocoa produce stores at Ondo and Ile-Ife, Southwestern Nigeria. Cocoa beans samples were sun dried to a constant weight, pulverized and soxhlet extracted with dichloromethane to obtain the OCPs. Qualitative identification and quantitative evaluation of the extracted OCPs after clean-up on silica gel were accomplished with the aid of a Gas Chromatography coupled with an Electron Capture Detector (GC-ECD). Levels of OCPs in cocoa beans from Ondo had a mean range of ND (p, p'-DDE) to 82.17___±__54.53__ng/g (p, p'-DDT) were higher than the OCPs levels in cocoa beans from Ile-Ife with a mean range of 0.37___±__0.63__ng/g (Endrin) to 57.76___±__81.48__ng/g (p, p'-DDT). The higher levels of OCPs detected in the cocoa beans from Ondo could be an indication of higher volume of OCPs application by cocoa farmers in Ondo and its environs since cocoa plantations were more concentrated than Ile-Ife environs. Levels of OCPs determined in the cocoa beans were within the Maximum Residue Limit (MRLs) for OCPs set by the World Health Organization/Food and Agricultural Organization. The study established the presence of OCPs in an important crop of Nigeria. Hence, there is the need to keep monitoring ecotoxicological chemical substances in agricultural food products of Nigeria so as to take steps that ensure health safety of end users.","Organochlorine pesticide residues in dried cocoa beans obtained from cocoa stores at Ondo and Ile-Ife, Southwestern Nigeria.",[],[],1.0,cocoa,0.19230769230769232,"['Endrin', ""p, p'-DDT"", 'organochlorine pesticides', 'OCPs', 'dichloromethane']",1,15
3239114,"The fatty acid composition including trans fatty acids of 12 brands of nut-nougat creams were analyzed by capillary gas chromatography. The creams consisted mainly of sugar and partially hydrogenated vegetable oil. The lipid content, which was quantified gravimetrically, amounted to between 30 and 38.2% in the different brands. The fatty acid composition varied considerably between the different creams. Linoleic acid, the major polyunsaturated fatty acid (PUFA), ranged from 12 to 39%. Palmitic acid (16:0), which was the main fatty acid, varied from 9 to 27%. The total trans fatty acid content of the 12 creams ranged from 0.9 to 12.3%. Only two of the creams contained less than 1% of trans fatty acids; 18:1t was the trans fatty acid found in the greatest amounts, whereas 16:1t and 14:1t were only found in trace amounts. Three samples had amounts of 18:2tt, 18:2ct, and 18:2tc between 0.7 and 1.06%; only small amounts of linoleate isomers were detected in the other creams. Our results show that trans fatty acids are present in every brand of chocolate cream tested. Since the potential risk of arteriosclerosis and cancer resulting from the consumption of trans fatty acids is not yet clear, different ways of production should be used in order to eliminate them from the creams that are a preferred bread spread of infants and children.",Trans fatty acid content of selected brands of West German nut-nougat cream.,"['Cacao', 'Candy', 'Dietary Fats', 'Fatty Acids', 'Germany, West', 'Humans', 'Hydrogenation', 'Plant Oils', 'Plants, Edible']","['analysis', 'analysis', 'analysis', 'analysis', None, None, None, 'analysis', 'analysis']",,cocoa,0.3469387755102041,"['PUFA', 'nut-nougat', 'Palmitic acid', 'linoleate', 'fatty acids', 'polyunsaturated fatty acid', '18:1', '14:1', 'Linoleic acid', 'fatty acid']",1,17
12488137,"Epicatechin is a flavan-3-ol that is commonly present in green teas, red wine, cocoa products, and many fruits, such as apples. There is considerable interest in the bioavailability of epicatechin after oral ingestion. In vivo studies have shown that low levels of epicatechin are absorbed and found in the circulation as glucuronides, methylated and sulfated forms. Recent research has demonstrated protective effects of epicatechin and one of its in vivo metabolites, 3'-O-methyl epicatechin, against neuronal cell death induced by oxidative stress. Thus, we are interested in the ability of ingested epicatechin to cross the blood brain barrier and target the brain. Rats were administered 100 mg/kg body weight/d epicatechin orally for 1, 5, and 10 d. Plasma and brain extracts were analyzed by HPLC with photodiode array detection and LC-MS/MS. This study reports the presence of the epicatechin glucuronide and 3'-O-methyl epicatechin glucuronide formed after oral ingestion in the rat brain tissue.",Uptake and metabolism of epicatechin and its access to the brain after oral ingestion.,"['Administration, Oral', 'Animals', 'Biological Availability', 'Brain', 'Catechin', 'Chromatography, High Pressure Liquid', 'Male', 'Mass Spectrometry', 'Rats', 'Rats, Wistar']","[None, None, None, 'metabolism', 'administration & dosage', None, None, None, None, None]",0.0,cocoa,0.21153846153846154,"['epicatechin', 'glucuronides', 'green teas', ""3'-O-methyl epicatechin glucuronide"", 'Epicatechin', 'epicatechin glucuronide']",1,11
25802220,"In recent years, there has been an increasing interest in identifying and characterizing the yeast flora associated with diverse types of habitat because of the many potential desirable technological properties of these microorganisms, especially in food applications. In this study, a total of 101 yeast strains were isolated from the skins of tropical fruits collected in several locations in the South West Indian Ocean. Sequence analysis of the D1/D2 domains of the large subunit (LSU) ribosomal RNA gene identified 26 different species. Among them, two species isolated from the skins of Cape gooseberry and cocoa beans appeared to represent putative new yeast species, as their LSU D1/D2 sequence was only 97.1% and 97.4% identical to that of the yeasts Rhodotorula mucilaginosa and Candida pararugosa, respectively. A total of 52 Volatile Organic Compounds (VOCs) were detected by Head Space Solid Phase Micro Extraction coupled to Gas Chromatography and Mass Spectroscopy (HS-SPME-GC/MS) from the 26 yeast species cultivated on a glucose rich medium. Among these VOCs, 6 uncommon compounds were identified, namely ethyl but-2-enoate, ethyl 2-methylbut-2-enoate (ethyl tiglate), ethyl 3-methylbut-2-enoate, 2-methylpropyl 2-methylbut-2-enoate, butyl 2-methylbut-2-enoate and 3-methylbutyl 2-methylbut-2-enoate, making them possible yeast species-specific markers. In addition, statistical methods such as Principal Component Analysis allowed to associate each yeast species with a specific flavor profile. Among them, Saprochaete suaveolens (syn: Geotrichum fragrans) turned to be the best producer of flavor compounds, with a total of 32 out of the 52 identified VOCs in its flavor profile. ",A comparative study on the potential of epiphytic yeasts isolated from tropical fruits to produce flavoring compounds.,"['Cluster Analysis', 'DNA, Ribosomal', 'Flavoring Agents', 'Food Microbiology', 'Fruit', 'Madagascar', 'Reunion', 'Tropical Climate', 'Volatile Organic Compounds', 'Yeasts']","[None, 'genetics', 'analysis', None, 'microbiology', None, None, None, 'analysis', 'chemistry']",0.0,cocoa,0.09859154929577464,"['glucose', 'ethyl 3-methylbut-2-enoate', 'butyl 2-methylbut-2-enoate', 'ethyl but-2-enoate', '2-methylpropyl 2-methylbut-2-enoate', 'ethyl 2-methylbut-2-enoate', 'ethyl tiglate']",1,7
19680899,"The caffeine content of different beverages from Argentina's market was measured. Several brands of coffees, teas, mates, chocolate milks, soft and energy drinks were analysed by high-performance liquid chromatography (HPLC) with ultraviolet detection. The highest concentration level was found in short coffee (1.38 mg ml(-1)) and the highest amount per serving was found in instant coffee (95 mg per serving). A consumption study was also carried out among 471 people from 2 to 93 years of age to evaluate caffeine total dietary intake by age and to identify the sources of caffeine intake. The mean caffeine intake among adults was 288 mg day(-1) and mate was the main contributor to that intake. The mean caffeine intake among children of 10 years of age and under was 35 mg day(-1) and soft drinks were the major contributors to that intake. Children between 11 and 15 years old and teenagers (between 16 and 20 years) had caffeine mean intakes of 120 and 240 mg day(-1), respectively, and mate was the major contributor to those intakes. Drinking mate is a deep-rooted habit among Argentine people and it might be the reason for their elevated caffeine mean daily intake.",Caffeine levels in beverages from Argentina's market: application to caffeine dietary intake assessment.,"['Adolescent', 'Adult', 'Aged', 'Aged, 80 and over', 'Analysis of Variance', 'Argentina', 'Beverages', 'Cacao', 'Caffeine', 'Carbonated Beverages', 'Central Nervous System Stimulants', 'Child', 'Child, Preschool', 'Coffee', 'Cross-Sectional Studies', 'Diet Surveys', 'Female', 'Humans', 'Male', 'Middle Aged', 'Pregnancy', 'Surveys and Questionnaires', 'Tea', 'Young Adult']","[None, None, None, None, None, None, 'analysis', 'chemistry', 'administration & dosage', 'analysis', 'administration & dosage', None, None, 'chemistry', None, None, None, None, None, None, None, None, 'chemistry', None]",0.0,cocoa,0.109375,['caffeine'],1,7
12654472,"(-)-epicatechin is one of the most potent antioxidants present in the human diet. Particularly high levels are found in black tea, apples, and chocolate. High intake of catechins has been associated with reduced risk of cardiovascular diseases. There have been several reports concerning the bioavailability of catechins, however, the chemical structure of (-)-epicatechin metabolites in blood, tissues, and urine remains unclear. In the present study, we purified and elucidated the chemical structure of (-)-epicatechin metabolites in human and rat urine after oral administration. Three metabolites were purified from human urine including (-)-epicatechin-3'-O-glucuronide, 4'-O-methyl-(-)-epicatechin-3'-O-glucuronide, and 4'-O-methyl-(-)-epicatechin-5 or 7-O-glucuronide, according to 1H- and 13C-NMR, HMBC, and LC-MS analyses. The metabolites purified from rat urine were 3'-O-methyl-(-)-epicatechin, (-)-epicatechin-7-O-glucuronide, and 3'-O-methyl-(-)-epicatechin-7-O-glucuronide. These compounds were also detected in the blood of humans and rats by LC-MS. The presence of these metabolites in blood and urine suggests that catechins are metabolized and circulated in the body after administration of catechin-containing foods.",Structures of (-)-epicatechin glucuronide identified from plasma and urine after oral ingestion of (-)-epicatechin: differences between human and rat.,"['Administration, Oral', 'Adult', 'Animals', 'Catechin', 'Chromatography, High Pressure Liquid', 'Female', 'Free Radicals', 'Gas Chromatography-Mass Spectrometry', 'Glucuronates', 'Glucuronic Acid', 'Humans', 'Magnetic Resonance Spectroscopy', 'Male', 'Models, Chemical', 'Rats', 'Rats, Sprague-Dawley', 'Species Specificity', 'Time Factors']","[None, None, None, 'administration & dosage', None, None, None, None, 'blood', 'blood', None, None, None, None, None, None, None, None]",0.0,cocoa,0.1896551724137931,"[""4'-O-methyl-(-)-epicatechin-3'-O-glucuronide"", ""3'-O-methyl-(-)-epicatechin-7-O-glucuronide"", ""(-)-epicatechin-3'-O-glucuronide"", '(-)-epicatechin-7-O-glucuronide', 'catechins', '7-O-glucuronide', '(-)-epicatechin']",1,11
10917931,"Diets that are rich in plant foods have been associated with a decreased risk for specific disease processes and certain chronic diseases. In addition to essential macronutrients and micronutrients, the flavonoids in a variety of plant foods may have health-enhancing properties. Chocolate is a food that is known to be rich in the flavan-3-ol epicatechin and procyanidin oligomers. However, the bioavailability and the biological effects of the chocolate flavonoids are poorly understood. To begin to address these issues, we developed a method based on HPLC coupled with electrochemical (coulometric) detection to determine the physiological levels of epicatechin, catechin and epicatechin dimers. This method allows for the determination of 20 pg (69 fmol) of epicatechin, which translates to plasma concentrations as low as 1 nmol/L. We next evaluated the absorption of epicatechin, from an 80-g semisweet chocolate (procyanidin-rich chocolate) bolus. By 2 h after ingestion, there was a 12-fold increase in plasma epicatechin, from 22 to 257 nmol/L (P < 0.01). Consistent with the antioxidant properties of epicatechin, within the same 2-h period, there was a significant increase of 31% in plasma total antioxidant capacity (P < 0.04) and a decrease of 40% in plasma 2-thiobarbituric acid reactive substances (P < 0.01). Plasma epicatechin and plasma antioxidant capacity approached baseline values by 6 h after ingestion. These results show that it is possible to determine basal levels of epicatechin in plasma. The data support the concept that the consumption of chocolate can result in significant increases in plasma epicatechin concentrations and decreases in plasma baseline oxidation products.",Epicatechin in human plasma: in vivo determination and effect of chocolate consumption on plasma oxidation status.,"['Adult', 'Antioxidants', 'Biflavonoids', 'Biological Availability', 'Cacao', 'Catechin', 'Cholesterol', 'Chromatography, High Pressure Liquid', 'Female', 'Humans', 'Male', 'Middle Aged', 'Oxidative Stress', 'Proanthocyanidins']","[None, 'pharmacokinetics', None, None, 'metabolism', 'administration & dosage', 'blood', None, None, None, None, None, 'drug effects', None]",0.0,cocoa,0.18292682926829268,"['epicatechin', 'flavonoids', '2-thiobarbituric acid', 'flavan-3-ol epicatechin', 'procyanidin', 'catechin']",1,15
15935584,"Caffeine is a mild central nervous stimulant that occurs naturally in coffee beans, cocoa beans and tea leaves. In large doses, it can be profoundly toxic, resulting in arrhythmia, tachycardia, vomiting, convulsions, coma and death. The average cup of coffee or tea in the United States is reported to contain between 40 and 150 mg caffeine although specialty coffees may contain much higher doses. Over-the-counter supplements that are used to combat fatigue typically contain 100-200 mg caffeine per tablet and doses of 32-200mg are included in a variety of prescription drug mixtures. Fatal caffeine overdoses in adults are relatively rare and require the ingestion of a large quantity of the drug, typically in excess of 5 g. Over a period of approximately 12 months our office reported two cases of fatal caffeine intoxication. In the first case, the femoral blood of a 39-year-old female with a history of intravenous drug use contained 192 mg/L caffeine. In the second case, femoral blood from a 29-year-old male with a history of obesity and diabetes contained 567 mg/L caffeine. In both cases, the cause of death was ruled as caffeine intoxication and the manner of death was accidental.",Fatal caffeine overdose: two case reports.,"['Adult', 'Caffeine', 'Central Nervous System Stimulants', 'Drug Overdose', 'Fatal Outcome', 'Female', 'Forensic Medicine', 'Gas Chromatography-Mass Spectrometry', 'Humans', 'Male']","[None, 'blood', 'blood', None, None, None, None, None, None, None]",0.0,cocoa,0.12903225806451613,"['Caffeine', 'caffeine']",1,8
11759010,"The cacao bean husk has been shown to possess two types of cariostatic substances, one showing anti-glucosyltransferase (GTF) activity and the other antibacterial activity, and to inhibit experimental dental caries in rats infected with mutans streptococci. In the present study, chromatographic purification revealed high-molecular-weight polyphenolic compounds and unsaturated fatty acids as active components. The former, which showed strong anti-GTF activity, were polymeric epicatechins with C-4beta and C-8 intermolecular bonds estimated to be 4636 in molecular weight in an acetylated form. The latter, which showed bactericidal activity against Streptococcus mutans, were determined to be oleic and linoleic acids, and demonstrated a high level of activity at a concentration of 30 microgram/mL. The cariostatic activity of the cacao bean husk is likely caused by these biologically active constituents.",Identification of cariostatic substances in the cacao bean husk: their anti-glucosyltransferase and antibacterial activities.,"['Anti-Infective Agents, Local', 'Cacao', 'Cariostatic Agents', 'Catechin', 'Chromatography', 'Enzyme Inhibitors', 'Fatty Acids, Unsaturated', 'Glucans', 'Glucosyltransferases', 'Molecular Structure', 'Molecular Weight', 'Plant Extracts', 'Seeds', 'Streptococcus mutans']","['isolation & purification', 'chemistry', 'isolation & purification', 'isolation & purification', None, 'isolation & purification', 'isolation & purification', 'antagonists & inhibitors', 'antagonists & inhibitors', None, None, 'chemistry', None, 'drug effects']",0.0,cocoa,0.14705882352941177,"['linoleic acids', 'unsaturated fatty acids', 'epicatechins', 'C-8', 'oleic']",1,5
16819905,"A naturally decaffeinated tea, Camellia sinensis var. ptilophylla (cocoa tea), has long been popular in southern China as a healthy beverage. Our experiments indicate that a single oral administration of 500 mg/kg of cocoa tea extract suppresses increases in plasma triacylgycerol (TG) levels when fed with 5 mL/kg of olive or lard oil in mice and that the inhibition rates are 22.9% and 31.5%, respectively, compared with controls. Under the same condition, cocoa tea extract did not affect the level of plasma free fatty acid. Likewise, the extract reduced the lymphatic absorption of lipids at 250 and 500 mg/kg. Also, cocoa tea extract and polyphenols isolated from cocoa tea inhibit pancreatic lipase. These findings suggest that cocoa tea has hypolipemic activity, which may be due to the suppression of digestive lipase activity by the polyphenols contained within the tea.",Evaluation of the hypolipemic property of Camellia sinensisVar. ptilophylla on postprandial hypertriglyceridemia.,"['Animals', 'Camellia sinensis', 'Catechin', 'Chromatography, High Pressure Liquid', 'Dietary Fats', 'Enzyme Inhibitors', 'Fatty Acids, Nonesterified', 'Flavonoids', 'Food', 'Hypolipidemic Agents', 'Lipase', 'Male', 'Mice', 'Mice, Inbred ICR', 'Olive Oil', 'Phenols', 'Plant Extracts', 'Plant Oils', 'Polyphenols', 'Triglycerides']","[None, 'chemistry', 'pharmacology', None, None, 'pharmacology', 'blood', 'isolation & purification', None, 'administration & dosage', 'antagonists & inhibitors', None, None, None, None, 'isolation & purification', 'administration & dosage', 'administration & dosage', None, 'blood']",0.0,cocoa,0.27906976744186046,"['polyphenols', 'decaffeinated tea', 'triacylgycerol', 'Camellia', 'cocoa tea', 'fatty acid', 'cocoa tea extract']",1,12
11976402,"Excessive peroxidation of biomembranes is thought to contribute to the initiation and progression of numerous degenerative diseases. The present study examined the inhibitory effects of a cocoa extract, individual cocoa flavanols (-)-epicatechin and (+)-catechin, and procyanidin oligomers (dimer to decamer) isolated from cocoa on rat erythrocyte hemolysis. In vitro, the flavanols and the procyanidin oligomers exhibited dose-dependent protection against 2,2'-azo-bis (2-amidinopropane) dihydrochloride (AAPH)-induced erythrocyte hemolysis between concentrations of 2.5 and 40 microM. Dimer, trimer, and tetramer showed the strongest inhibitory effects at 10 microM, 59.4%, 66.2%, 70.9%; 20 microM, 84.1%, 87.6%, 81.0%; and 40 microM, 90.2%, 88.9%, 78.6%, respectively. In a subsequent experiment, male Sprague-Dawley rats (approximately 200 g; n = 5-6) were given a 100-mg intragastric dose of a cocoa extract. Blood was collected over a 4-hr time period. Epicatechin and catechin, and the dimers (-)-epicatechin-(4beta>8)-epicatechin (Dimer B2) and (-)-epicatechin-(4beta>6)-epicatechin (Dimer B5) were detected in the plasma with concentrations of 6.4 microM, and 217.6, 248.2, and 55.4 nM, respectively. Plasma antioxidant capacity (as measured by the total antioxidant potential [TRAP] assay) was elevated (P < 0.05) between 30 and 240 min following the cocoa extract feeding. Erythrocytes obtained from the cocoa extract-fed animals showed an enhanced resistance to hemolysis (P < 0.05). This enhanced resistance was also observed when erythrocytes from animals fed the cocoa extract were mixed with plasma obtained from animals given water only. Conversely, plasma obtained from rats given the cocoa extract improved the resistance of erythrocytes obtained from rats given water only. These results show cocoa flavanols and procyanidins can provide membrane protective effects.",Inhibitory effects of cocoa flavanols and procyanidin oligomers on free radical-induced erythrocyte hemolysis.,"['Amidines', 'Animals', 'Antioxidants', 'Biflavonoids', 'Cacao', 'Catechin', 'Chromatography, High Pressure Liquid', 'Dimerization', 'Dose-Response Relationship, Drug', 'Erythrocytes', 'Free Radicals', 'Hemolysis', 'Male', 'Mass Spectrometry', 'Plant Extracts', 'Proanthocyanidins', 'Rats', 'Rats, Sprague-Dawley']","['pharmacology', None, 'analysis', None, 'chemistry', 'analogs & derivatives', None, None, None, 'drug effects', 'pharmacology', 'drug effects', None, None, 'pharmacology', None, None, None]",,cocoa,0.18888888888888888,"['dihydrochloride', 'cocoa flavanols', ""2,2'-azo-bis"", 'cocoa flavanols (-)-epicatechin', '2-amidinopropane', 'catechin', '(+)-catechin', 'Epicatechin', 'flavanols', 'procyanidin', 'cocoa extract', 'procyanidins']",1,17
24720622,"In this study, we determined, by atomic absorption spectrophotometry, the potassium amount leached by soaking or boiling foods identified by children suffering from chronic renal failure as ""pleasure food"" and that they cannot eat because of their low-potassium diet, and evaluated whether addition of sodium polystyrene sulfonate resin (i.e. Kayexalate_‰) during soaking or boiling modulated potassium loss. A significant amount of potassium content was removed by soaking (16% for chocolate and potato, 26% for apple, 37% for tomato and 41% for banana) or boiling in a large amount of water (73% for potato). Although Kayexalate_‰ efficiently dose-dependently removed potassium from drinks (by 48% to 73%), resin addition during soaking or boiling did not eliminate more potassium from solid foods. Our results therefore provide useful information for dietitians who elaborate menus for people on potassium-restricted diets and would give an interesting alternative to the systematic elimination of all potassium-rich foods from their diet.",Effects of water soaking and/or sodium polystyrene sulfonate addition on potassium content of foods.,"['Adolescent', 'Appetite', 'Cation Exchange Resins', 'Child', 'Cooking', 'Diet', 'Food Handling', 'Humans', 'Kidney Failure, Chronic', 'Pleasure', 'Polystyrenes', 'Potassium', 'Water']","[None, None, None, None, None, 'psychology', 'methods', None, 'diet therapy', None, None, None, None]",0.0,cocoa,0.1276595744680851,"['sodium polystyrene sulfonate resin', 'potassium']",1,6
22656242,"2-Substituted-5-methyl-3-oxazolines, a novel class of aroma precursors that are able to release the respective Strecker aldehydes by hydrolysis, were identified. Hydrolysis can take place after the addition of water or with human saliva during mastication, respectively. 2-Isobutyl-, 2-sec-isobutyl-, 2-isopropyl, and 2-benzyl-5-methyl-3-oxazolines were synthesized and structurally identified by means of gas chromatography-mass spectrometry (GC-MS) in the electron impact mode and in the chemical ionization mode as well as by one- and two-dimensional NMR experiments. With these compounds at hand, a variety of stability experiments were performed using headspace-GC-MS or proton transfer reaction-MS techniques on the basis of stable isotope dilution assays, proving the ability to release the respective Strecker aldehydes was dependent on the pH value as well as on the hydrolysis time. After the addition of water at 37 _C, for example, >70 mol % of 3-methylbutanal or >40 mol % of phenylacetaldehyde was liberated from a solution of 2-isobutyl-5-methyl-3-oxazoline or 2-benzyl-5-methyl-3-oxazoline, respectively, after 5 min. Furthermore, the presence of 2-isobutyl-5-methyl-3-oxazoline in dark chocolate containing 70% cocoa was proven by GC-MS.",New insights into the formation of aroma-active strecker aldehydes from 3-oxazolines as transient intermediates.,"['Aldehydes', 'Cacao', 'Molecular Structure', 'Oxazoles']","['chemistry', 'chemistry', None, 'chemistry']",0.0,cocoa,0.18181818181818182,"['3-methylbutanal', 'cocoa', '2-benzyl-5-methyl-3-oxazoline', '2-isobutyl-5-methyl-3-oxazoline', 'aroma precursors', 'phenylacetaldehyde', '2-Isobutyl-']",1,8
9662953,"Viscosity and Yield Value of Casson are two chocolate properties. They are very important in the technological processes and they affect to the final product acepptation. In this study viscosity, yield value and fatty acid composition were determined of chocolates elaborated with different fat sources. A correlation study was made between these three variables. Viscosity and yield value were calculated with the Casson's education using a viscometer brookfield and fatty acids composition by gas-chromatography. Positive correlations between viscosity and yield value with stearic and palmitic acids contents have been found. Negative correlations between yield value and lauric content and viscosity and oleic acid content have been observed. The viscosity variations were relationed with total content of cocoa butter of different chocolates.",[Effect on viscosity and yield value of addition of different vegetable fat sources used in chocolate].,"['Cacao', 'Fats, Unsaturated', 'Humans', 'Oleic Acid', 'Plant Oils', 'Viscosity']","['chemistry', None, None, None, None, None]",,cocoa,0.14634146341463414,"['lauric', 'oleic acid', 'fatty acids', 'stearic', 'palmitic acids', 'fatty acid']",1,6
28946303,"Substantial equivalence studies were performed in three Theobroma spp., cacao, bicolor and grandiflorum through chemical composition analysis and protein profiling of fruit (pulp juice and seeds). Principal component analysis of sugar, organic acid, and phenol content in pulp juice revealed equivalence among the three species, with differences in some of the compounds that may result in different organoleptic properties. Proteins were extracted from seeds and pulp juice, resolved by two dimensional electrophoresis and major spots subjected to mass spectrometry analysis and identification. The protein profile, as revealed by principal component analysis, was variable among the three species in both seed and pulp, with qualitative and quantitative differences in some of protein species. The functional grouping of the identified proteins correlated with the biological role of each organ. Some of the identified proteins are of interest, being minimally discussed, including vicilin, a protease inhibitor, and a flavonol synthase/flavanone 3-hydroxylase.",Substantial equivalence analysis in fruits from three Theobroma species through chemical composition and protein profiling.,"['Cacao', 'Fruit', 'Humans', 'Mixed Function Oxygenases', 'Plant Proteins', 'Seeds']","[None, None, None, None, None, None]",1.0,cocoa,0.0392156862745098,"['phenol', 'flavonol synthase/flavanone']",1,2
16508183,"The purpose of this study was to evaluate the bitterness-suppressing effect of three jellies, all commercially available on the Japanese market as swallowing aids, on two dry syrups containing the macrolides clarithromycin (CAM) or azithromycin (AZM). The bitterness intensities of mixtures of the dry syrups and acidic jellies were significantly greater than those of water suspensions of the dry syrups in human gustatory sensation tests. On the other hand, the mixture with a chocolate jelly, which has a neutral pH, was less bitter than water suspensions of the dry syrups. The bitterness intensities predicted by the taste sensor output values correlated well with the observed bitterness intensities in human gustatory sensation tests. When the concentrations of CAM and AZM in solutions extracted from physical mixtures of dry syrup and jelly were determined by HPLC, concentrations in the solutions extracted from mixtures with acidic jellies were higher than those from mixtures with a neutral jelly (almost 90 times higher for CAM, and almost 7-10 times higher for AZM). Thus, bitterness suppression is correlated with the pH of the jelly. Finally, a drug dissolution test for dry syrup with and without jelly was performed using the paddle method. There was no significance difference in dissolution profile. It was concluded the appropriate choice of jelly with the right pH is essential for taste masking. Suitable jellies might be used to improve patient compliance, especially in children. The taste sensor may be used to predict the bitterness-suppressing effect of the jelly.",Evaluation of bitterness suppression of macrolide dry syrups by jellies.,"['Adult', 'Anti-Bacterial Agents', 'Azithromycin', 'Cacao', 'Chromatography, High Pressure Liquid', 'Clarithromycin', 'Data Interpretation, Statistical', 'Flavoring Agents', 'Humans', 'Hydrogen-Ion Concentration', 'Macrolides', 'Quinine', 'Solubility', 'Solutions', 'Taste']","[None, 'adverse effects', 'adverse effects', None, None, 'adverse effects', None, 'chemistry', None, None, 'adverse effects', 'pharmacology', None, None, 'drug effects']",0.0,cocoa,0.14864864864864866,"['syrup', 'azithromycin', 'AZM', 'syrups', 'macrolides clarithromycin']",1,11
22503716,"Human biomonitoring of nickel has gained interest in environmental medicine due to its wide distribution in the environment and its allergenic potential. There are indications that the prevalence of nickel sensitization in children is increased by nickel exposure and that oral uptake of nickel can exacerbate nickel dermatitis in nickel-sensitive individuals. Urinary nickel measurement is a good indicator of exposure. However, data on nickel levels in urine of children are rare. For the first time, the German Environmental Survey on children (GerES IV) 2003-2006 provided representative data to describe the internal nickel exposure of children aged 3-14 years in Germany. Nickel was measured after enrichment in the organic phase of urine by graphite furnace atomic absorption spectrometry with Zeeman background correction. Nickel levels (n=1576) ranged from <0.5 to 15 __g/l. Geometric mean was 1.26 __g/l. Multivariate regression analysis showed that gender, age, socio-economic status, being overweighted, consumption of hazelnut spread, nuts, cereals, chocolate and urinary creatinine were significant predictors for urinary nickel excretion of children who do not smoke. 20.2% of the variance could be explained by these variables. With a contribution of 13.8% the urinary creatinine concentration was the most important predictor. No influence of nickel intake via drinking water and second hand smoke exposure was observed.",Levels and predictors of urinary nickel concentrations of children in Germany: results from the German Environmental Survey on children (GerES IV).,"['Adolescent', 'Cacao', 'Child', 'Child, Preschool', 'Cotinine', 'Creatinine', 'Drinking Water', 'Edible Grain', 'Environmental Monitoring', 'Environmental Pollutants', 'Female', 'Food Contamination', 'Germany', 'Health Surveys', 'Humans', 'Male', 'Nickel', 'Nuts', 'Surveys and Questionnaires']","[None, None, None, None, 'urine', 'urine', 'analysis', None, None, 'urine', None, None, None, None, None, None, 'urine', None, None]",0.0,cocoa,0.17567567567567569,"['nickel', 'creatinine', 'Nickel']",1,13
22922535,"Six facultatively anaerobic, non-motile lactic acid bacteria were isolated from spontaneous cocoa bean fermentations carried out in Brazil, Ecuador and Malaysia. Phylogenetic analysis revealed that one of these strains, designated M75(T), isolated from a Brazilian cocoa bean fermentation, had the highest 16S rRNA gene sequence similarity towards Weissella fabaria LMG 24289(T) (97.7%), W. ghanensis LMG 24286(T) (93.3%) and W. beninensis LMG 25373(T) (93.4%). The remaining lactic acid bacteria isolates, represented by strain M622, showed the highest 16S rRNA gene sequence similarity towards the type strain of Fructobacillus tropaeoli (99.9%), a recently described species isolated from a flower in South Africa. pheS gene sequence analysis indicated that the former strain represented a novel species, whereas pheS, rpoA and atpA gene sequence analysis indicated that the remaining five strains belonged to F. tropaeoli; these results were confirmed by DNA-DNA hybridization experiments towards their respective nearest phylogenetic neighbours. Additionally, matrix-assisted laser desorption/ionization time-of-flight mass spectrometry proved successful for the identification of species of the genera Weissella and Fructobacillus and for the recognition of the novel species. We propose to classify strain M75(T) (___=___LMG 26217(T) ___=___CCUG 61472(T)) as the type strain of the novel species Weissella fabalis sp. nov.",Characterization of strains of Weissella fabalis sp. nov. and Fructobacillus tropaeoli from spontaneous cocoa bean fermentations.,"['Base Composition', 'Brazil', 'Cacao', 'DNA, Bacterial', 'Ecuador', 'Fermentation', 'Food Microbiology', 'Genes, Bacterial', 'Leuconostocaceae', 'Malaysia', 'Molecular Sequence Data', 'Nucleic Acid Hybridization', 'Peptidoglycan', 'Phylogeny', 'RNA, Ribosomal, 16S', 'Sequence Analysis, DNA', 'Weissella']","[None, None, 'microbiology', 'genetics', None, None, None, None, 'classification', None, None, None, 'analysis', None, 'genetics', None, 'classification']",0.0,cocoa,0.1774193548387097,"['M75(T', 'atpA', 'lactic acid', 'cocoa bean fermentations', '___CCUG 61472(T)', 'lactic acid bacteria', '___=___LMG', 'Weissella', '24286(T']",1,11
1189616,"A procedure based on extraction, column chromatography and precipitation is described for the separation of ethylene oxide-1,2-14C fumigated coca-powder derivatives in 9 different groups. As it was found in wheat [1], the major portion of radioactivity lies in water extract; in coca-powder the major portion of radioactivity is also found in low molecular components.","[Group separation of ethylene oxide 1,2-14c fumigated coca-powder derivatives and their distribution of radioactivity (author's transl)].","['Cacao', 'Carbon Radioisotopes', 'Ethylene Oxide', 'Hydrolysis']","['analysis', None, None, None]",,cocoa,0.05263157894736842,"['ethylene oxide-1,2-14C']",1,1
11185658,"Cacao is rich in polyphenols such as (-)-epicatechin, and a colored component of cacao (cacao-red) is polyphenol, which is an antioxidant. These properties stimulated an investigation of the effects of cacao liquor polyphenols (CLP) on low-density lipoprotein (LDL) oxidation. The 2.2 '-azobis(4-methoxy-2,4-dimethylvaleronitrile) (AMVN-CH2O)-induced oxidizability of LDL was assessed by monitoring the absorbance at 234 nm. In vitro. 0.1-0.5 mg/dL CLP prolonged the oxidation lag time of LDL in a dose-dependent manner. Compared with the controls, it was prolonged 1.7-fold in the presence of 0.1 mg/dL CLP, 2.9-fold at 0.2 mg/dL, 3.8-fold at 0.3 mg/dL, 5.4-fold at 0.4 mg/dL, and 6.4-fold at 0.5 mg/dL. Furthermore, we enlisted 13 male volunteers to consume 35 g delipidated cocoa. Venous blood samples were taken before and at 2 h and 4 h after consuming the cocoa. The oxidation lag time of LDL before cocoa ingestion was 59.0 +/- 6.3 min, but it was prolonged at 2 h after cocoa (68.3 +/- 6.0 min); before returning to the initial lag time (61.7 +/- 5.7 min) before consumption. Thus we have shown that cocoa inhibited LDL oxidation both in vitro and ex vivo.",Antioxidant effects of polyphenols in chocolate on low-density lipoprotein both in vitro and ex vivo.,"['Adult', 'Antioxidants', 'Arteriosclerosis', 'Azo Compounds', 'Cacao', 'Cholesterol, LDL', 'Dose-Response Relationship, Drug', 'Flavonoids', 'Humans', 'In Vitro Techniques', 'Male', 'Nitriles', 'Oxidation-Reduction', 'Phenols', 'Polymers', 'Polyphenols', 'Spectrophotometry', 'Time Factors']","[None, 'pharmacology', 'blood', 'pharmacology', 'chemistry', 'blood', None, None, None, None, None, 'pharmacology', None, 'pharmacology', 'pharmacology', None, None, None]",,cocoa,0.17307692307692307,"['polyphenols', 'cocoa', 'cacao-red', 'polyphenol', 'cacao', 'cacao liquor polyphenols', 'Cacao', '(-)-epicatechin']",1,9
20153860,"Quality control of cacao beans is a significant issue in the chocolate industry. In this report, we describe how moisture damage to cacao beans alters the volatile chemical signature of the beans in a way that can be tracked quantitatively over time. The chemical signature of the beans is monitored via sampling the headspace of the vapor above a given bean sample. Headspace vapor sampled with solid-phase micro-extraction (SPME) was detected and analyzed with comprehensive two-dimensional gas chromatography combined with time-of-flight mass spectrometry (GCxGC-TOFMS). Cacao beans from six geographical origins (Costa Rica, Ghana, Ivory Coast, Venezuela, Ecuador, and Panama) were analyzed. Twenty-nine analytes that change in concentration levels via the time-dependent moisture damage process were measured using chemometric software. Biomarker analytes that were independent of geographical origin were found. Furthermore, prediction algorithms were used to demonstrate that moisture damage could be verified before there were visible signs of mold by analyzing subsets of the 29 analytes. Thus, a quantitative approach to quality screening related to the identification of moisture damage in the absence of visible mold is presented.",Quantitative assessment of moisture damage for cacao bean quality using two-dimensional gas chromatography combined with time-of-flight mass spectrometry and chemometrics.,"['Artificial Intelligence', 'Cacao', 'Costa Rica', 'Gas Chromatography-Mass Spectrometry', 'Models, Chemical', 'Principal Component Analysis', 'Regression Analysis', 'Water']","[None, 'chemistry', None, 'methods', None, None, None, 'adverse effects']",0.0,cocoa,0.09375,"['headspace', 'cacao beans', 'Headspace', 'Cacao', 'SPME']",1,6
9554600,"The authors conducted a matched case-control study to investigate the effects of caffeine intake during pregnancy on birth weight. From January to November 1992, in the first 24 hours after delivery, 1,205 mothers (401 cases and 804 controls) were interviewed and their newborns were examined to assess birth weight and gestational age by means of the method of Capurro et al. (J Pediatr 1978;93:120-2). The cases were children with birth weight < 2,500 g and gestational age > or = 28 weeks. Cases and controls were matched for time of birth and hospital of delivery and were recruited from the four maternity hospitals in Pelotas, southern Brazil. Daily maternal caffeine intake during pregnancy for each trimester was estimated. To assess caffeine intake, 10% of the mothers were reinterviewed at their households and samples of reported information on drip coffee and mat© (a caffeine-containing drink widely used in South America) were collected and sent to the laboratory for caffeine determination through liquid chromatography. When instant coffee was reported, the weight of powder was measured using a portable scale, and caffeine intake was estimated from a reference table. Caffeine intake from tea, chocolate, soft drinks, and medicines was estimated from a reference table. Analyses were performed by conditional logistic regression. Crude analyses showed no effect of caffeine on low birth weight, preterm births or intrauterine growth retardation. The results did not change after allowing for confounders.",Caffeine intake and low birth weight: a population-based case-control study.,"['Beverages', 'Birth Weight', 'Caffeine', 'Case-Control Studies', 'Coffee', 'Female', 'Fetal Growth Retardation', 'Gestational Age', 'Humans', 'Infant, Low Birth Weight', 'Infant, Newborn', 'Infant, Premature', 'Multivariate Analysis', 'Pregnancy']","['analysis', 'drug effects', 'administration & dosage', None, 'chemistry', None, 'chemically induced', None, None, None, None, None, None, None]",,cocoa,0.1111111111111111,"['Caffeine', 'caffeine', 'Pelotas', 'Capurro']",1,9
528451,"Aflatoxin was produced in both non-autoclaved and autoclaved Ivory Coast cocoa beans inoculated with Aspergillus parasiticus NRRL 2999 under optimum laboratory growth conditions. Total aflatoxin levels ranged from 213 to 5597 ng/g substrate. Aflatoxin was quantitated by using high pressure liquid chromatography (HPLC). Raw, non-autoclaved cocoa beans, also inoculated with aspergilli, produced 6359 ng aflatoxin/g substrate. Variation in aflatoxin production between bean varieties was observed. Total aflatoxin levels of 10,446 and 23,076 ng/g substrate were obtained on Ivory Coast beans inoculated with A. parasiticus NRRL 2999 and NRRL 3240, respectively. Aflatoxin production on Trinidad and Malaysian beans was 28 and 65 ng aflatoxin/g substrate. These data support previously reported low level natural aflatoxin contamination in cocoa.",Production of aflatoxin in cocoa beans.,"['Aflatoxins', 'Aspergillus', 'Cacao']","['biosynthesis', 'metabolism', None]",,cocoa,0.21428571428571427,"['NRRL 3240', 'Aflatoxin', 'aflatoxin', 'A. parasiticus NRRL 2999']",1,9
24974581,"The determination of cefaclor in a new, complex chocolate matrix was performed by using a simple sample preparation (dispersion in dilute hydrochloric acid at 80 degrees C, centrifugation, washing with cyclohexane), followed by ion pair HPLC on a Kinetex pentafluorophenyl core-shell stationary phase with UV detection at 265 nm. We obtained good linearity (R2 = 0.9976) and precision (average RSD 0.86%) for the relevant concentration range. The preparations, although hand-made in this pilot phase, showed good uniformity of content. After being stored for four weeks in a refrigerator the preparation did not contain recognizable amounts of decomposition products.",Analysis of cefaclor in novel chocolate-based camouflage capsules.,"['Anti-Bacterial Agents', 'Cacao', 'Capsules', 'Cefaclor', 'Chemistry, Pharmaceutical', 'Chromatography, High Pressure Liquid', 'Dosage Forms', 'Gelatin', 'Reference Standards', 'Reproducibility of Results', 'Spectrophotometry, Ultraviolet']","['administration & dosage', None, None, 'administration & dosage', None, None, None, None, None, None, None]",,cocoa,0.10344827586206896,"['hydrochloric acid', 'cefaclor', 'Kinetex pentafluorophenyl']",1,3
16954822,"A proteomic analysis of procyanidin B(2) isolated from cocoa against oxidized low-density lipoprotein-induced lipid-laden macrophage formation was performed. Of approximately 400 detected proteins, 12 were differentially expressed as a result of B(2) treatment. They were subsequently identified by liquid chromatography-electrospray ionization-tandem mass spectrometry and the SWISS-PROT database. Further reverse transcriptase-polymerase chain reaction and Western blot analysis revealed that B(2) strongly inhibited arachidonic acid inflammatory reactions, apoptosis, and their coupled mitogen-activated protein kinase and NF-kappaB pathways. To highlight proteins or genes with similar expressed patterns and similarly biological function induced by B(2) in lipid-laden macrophages, a cluster and Kyoto Encyclopedia of Genes and Genomes pathway analysis were performed. The data were mapped to multiple pathways. Further validation of the bioinformatic results revealed that activation of Wnt signaling may contribute to the cardioprotection of B(2). The differentially expressed genes and proteins mentioned above induced by B(2) are through regulating nuclear transcription factors, activating peroxisome proliferator-activated receptor-gamma and inhibiting AP-1 mRNA expressions. These in vitro data help to interpret the beneficial effects of B(2) in reducing the risk of atherosclerosis after consumption of flavonoid-rich foods. Many differentially expressed genes induced by B(2) help to uncover novel targets and may help to target disease interactions in atherosclerosis in the future.",Inhibitory effects of procyanidin B(2) dimer on lipid-laden macrophage formation.,"['Amino Acid Sequence', 'Arachidonate 5-Lipoxygenase', 'Biflavonoids', 'Catechin', 'Cyclooxygenase 2', 'Dimerization', 'Energy Metabolism', 'Gene Expression', 'Humans', 'Lipid Metabolism', 'Lipoproteins, LDL', 'Macrophages', 'Molecular Sequence Data', 'PPAR gamma', 'Proanthocyanidins', 'RNA, Messenger', 'Scavenger Receptors, Class E', 'Signal Transduction', 'U937 Cells', 'Wnt Proteins']","[None, 'analysis', 'pharmacology', 'pharmacology', 'analysis', None, None, 'drug effects', None, 'drug effects', 'pharmacology', 'drug effects', None, 'physiology', 'pharmacology', 'analysis', 'analysis', 'drug effects', None, 'physiology']",0.0,cocoa,0.03896103896103896,"['procyanidin B(2', 'flavonoid-rich', 'arachidonic acid inflammatory reactions']",1,3
18257943,"The effect of different food matrices on the metabolism and excretion of polyphenols is uncertain. The objective of the study was to evaluate the possible effect of milk on the excretion of (2)-epicatechin metabolites from cocoa powder after its ingestion with and without milk. Twenty-one volunteers received the following three test meals each in a randomised cross-over design with a 1-week interval between meals: (1) 250 ml whole milk as a control; (2) 40 g cocoa powder dissolved in 250 ml whole milk (CC-M); (3) 40 g cocoa powder dissolved in 250 ml water (CC-W). Urine was collected before consumption and during the 0-6, 6-12 and 12-24 h periods after consumption. (2)-Epicatechin metabolite excretion was measured using liquid chromatography-MS. One (2)-epicatechin glucuronide and three (2)-epicatechin sulfates were detected in urine excreted after the intake of the two cocoa beverages (CC-M and CC-W). The results show that milk does not significantly affect the total amount of metabolites excreted in urine. However, differences in metabolite excretion profiles were observed; there were changes in the glucuronide and sulfate excretion rates, and the sulfation position between the period of excretion and the matrix. The matrix in which polyphenols are consumed can affect their metabolism and excretion, and this may affect their biological activity. Thus, more studies are needed to evaluate the effect of these different metabolite profiles on the body.",The effects of milk as a food matrix for polyphenols on the excretion profile of cocoa (-)-epicatechin metabolites in healthy human subjects.,"['Adolescent', 'Adult', 'Animals', 'Cacao', 'Catechin', 'Cross-Over Studies', 'Female', 'Flavonoids', 'Food', 'Glucuronides', 'Humans', 'Linear Models', 'Male', 'Middle Aged', 'Milk', 'Phenols', 'Polyphenols', 'Sulfuric Acid Esters', 'Young Adult']","[None, None, None, None, 'analogs & derivatives', None, None, 'metabolism', None, 'urine', None, None, None, None, None, 'metabolism', None, 'urine', None]",0.0,cocoa,0.06944444444444445,"['polyphenols', 'sulfate', 'glucuronide']",1,5