An LC-MS-based metabolomics approach for exploring urinary metabolome modifications after cocoa consumption
Abstract
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.
Integrity signals
Registry
Cites
Statistics
Claims the paper makes
Claims other papers make about this one
Each is checked against this paper’s own text: does it say what the citing paper says it does?
High-resolution LC-Q-TOF MS with electrospray ionization has successfully detected compounds such as terpene metabolites, diketopiperazine metabolites, phenylvalerolactones, and benzoxazinoid metabolites, which are candidate biomarkers of food intake not easily detected by NMR or GC-MS.
“This technique has been successful in detecting compounds such as terpene metabolites, diketopiperazine metabolites, phenylvalerolactones, and benzoxazinoid metabolites, which are interesting candidate biomarkers of food intake that would not be easily detected in biofluids by NMR or GC-MS (49,86,96).”
From The food metabolome: a window over dietary exposure (2014) · cites this paper as [96]
Cites
Gentleman R: R: A language for data analysis and graphics
Ihaka, R., & Gentleman, R. (1996) · Journal of Computational and Graphical Statistics · doi:10.1080/10618600.1996.10474713 · Cited by 11,747 · see citing works
Dietary polyphenols and the prevention of diseases
Scalbert, A., Manach, C., Morand, C., Rémésy, C., & Jiménez, L. (2005) · Critical Reviews in Food Science and Nutrition · doi:10.1080/1040869059096 · Cited by 2,999 · see citing works
Bioavailability and bioefficacy of polyphenols in humans. II. Review of 93 intervention studies
Williamson, G., & Manach, C. (2005) · American Journal of Clinical Nutrition · doi:10.1093/ajcn/81.1.243s · Cited by 1,340 · see citing works
Wiklund, S., Johansson, E., Sjöström, L., Mellerowicz, E. J., Edlund, U. G., Shockcor, J. P., Gottfries, J., Möritz, T., & Trygg, J. (2007) · Analytical Chemistry · doi:10.1021/ac0713510 · Cited by 1,234 · see citing works
Nutraceuticals: Facts and fiction
Espı́n, J. C., García‐Conesa, M., & Tomás-Barberán, F. A. (2007) · Phytochemistry · doi:10.1016/j.phytochem.2007.09.014 · Cited by 815 · see citing works
Metabolomics: applications to food science and nutrition research
Wishart, D. S. (2008) · Trends in Food Science & Technology · doi:10.1016/j.tifs.2008.03.003 · Cited by 672 · see citing works
Chemistry, natural sources, dietary intake and pharmacokinetic properties of ferulic acid: A review
Zhao, Z., & Moghadasian, M. H. (2008) · Food Chemistry · doi:10.1016/j.foodchem.2008.02.039 · Cited by 621 · see citing works
PermutMatrix: a graphical environment to arrange gene expression profiles in optimal linear order
Caraux, G., & Pinloche, S. (2004) · Bioinformatics · doi:10.1093/bioinformatics/bti141 · Cited by 608 · see citing works
Plasma antioxidants from chocolate
Serafini, M., Bugianesi, R., Maiani, G., Valtuena, S., De Santis, S., & Crozier, A. (2003) · Nature · doi:10.1038/4241013a · Cited by 539 · see citing works
Gika, H., Theodoridis, G. A., Wingate, J. E., & Wilson, I. D. (2007) · Journal of Proteome Research · doi:10.1021/pr070183p · Cited by 502 · see citing works
Plumb, R. S., Johnson, K. A., Rainville, P. D., Smith, B. W., Wilson, I. D., Castro‐Perez, J. M., & Nicholson, J. K. (2006) · Rapid Communications in Mass Spectrometry · doi:10.1002/rcm.2550 · Cited by 486 · see citing works
Slupsky, C. M., Rankin, K. N., Wagner, J., Fu, H., Chang, D., Weljie, A. M., Saude, E. J., Lix, B., Adamko, D. J., Shah, S. L., et al. (2007) · Analytical Chemistry · doi:10.1021/ac0708588 · Cited by 398 · see citing works
Rios, L. Y., Gonthier, M., Rémésy, C., Mila, I., Lapierre, C., Lazarus, S. A., Williamson, G., & Scalbert, A. (2003) · American Journal of Clinical Nutrition · doi:10.1093/ajcn/77.4.912 · Cited by 331 · see citing works
Cocoa and health: a decade of research
Cooper, K., Donovan, J. L., Waterhouse, A. L., & Williamson, G. (2007) · British Journal Of Nutrition · doi:10.1017/s0007114507795296 · Cited by 302 · see citing works
Walsh, M. C., Brennan, L., Malthouse, J. P. G., Roche, H. M., & Gibney, M. J. (2006) · American Journal of Clinical Nutrition · doi:10.1093/ajcn/84.3.531 · Cited by 291 · see citing works
Dimensionality Reduction and Visualization in Principal Component Analysis
Ivosev, G., Burton, L., & Bonner, R. F. (2008) · Analytical Chemistry · doi:10.1021/ac800110w · Cited by 286 · see citing works
Li, C., Lee, M., Sheng, S., Meng, X., Prabhu, S., Winnik, B., Huang, B. M., Chung, J. Y., Yan, S., Ho, C., et al. (2000) · Chemical Research in Toxicology · doi:10.1021/tx9901837 · Cited by 276 · see citing works
Nutritional metabonomics: applications and perspectives.
Rezzi, S., Ramadan, Z., Fay, L., & Kochhar, S. (2007) · Journal of Proteome Research · doi:10.1021/pr060522z · Cited by 274 · see citing works
Metabonomics Techniques and Applications to Pharmaceutical Research & Development
Lindon, J., Holmes, E., & Nicholson, J. (2006) · Pharmaceutical Research · doi:10.1007/s11095-006-0025-z · Cited by 265 · see citing works
Tomás-Barberán, F. A., Cienfuegos‐Jovellanos, E., Marín, A., Muguerza, B., Gil‐Izquierdo, Á., Cerdá, B., Zafrilla, P., Morillas, J., Mulero, J., Ibarra, A., et al. (2007) · Journal of Agricultural and Food Chemistry · doi:10.1021/jf070121j · Cited by 248 · see citing works
Structure elucidation of phase II metabolites by tandem mass spectrometry: an overview
Levsen, K., Schiebel, H., Behnke, B., Dötzer, R., Dreher, W., Elend, M., & Thiele, H. (2004) · Journal of Chromatography A · doi:10.1016/j.chroma.2004.08.165 · Cited by 244 · see citing works
A 1H NMR-based metabonomic study of urine and plasma samples obtained from healthy human subjects
Lenz, E. M., Bright, J. D., Wilson, I. D., Morgan, S. R., & Nash, A. (2003) · Journal of Pharmaceutical and Biomedical Analysis · doi:10.1016/s0731-7085(03)00410-2 · Cited by 241 · see citing works
Gika, H., Macpherson, E., Theodoridis, G. A., et al. (2008) · Journal of Chromatography B · doi:10.1016/j.jchromb.2008.05.048 · Cited by 231 · see citing works
Plumb, R. S., Granger, J. H., Stumpf, C. L., et al. (2005) · The Analyst · doi:10.1039/b501767j · Cited by 219 · see citing works
Investigation of aromatic compounds in roasted cocoa powder
Bonvehí, J. S. (2005) · European Food Research and Technology · doi:10.1007/s00217-005-1147-y · Cited by 216 · see citing works
Flavanol and Flavonol Contents of Cocoa Powder Products: Influence of the Manufacturing Process
Andrés‐Lacueva, C., Monagas, M., Khan, N., Izquierdo-Pulido, M., Urpí-Sardà, M., Permanyer, J., & Lamuela-Raventós, R. M. (2008) · Journal of Agricultural and Food Chemistry · doi:10.1021/jf0728754 · Cited by 213 · see citing works
Self-citationEpicatechin, procyanidins, and phenolic microbial metabolites after cocoa intake in humans and rats
Urpí-Sardà, M., Monagas, M., Khan, N., Lamuela-Raventós, R. M., Santos‐Buelga, C., Sacanella, E., Castell, M., Permanyer, J., & Andrés‐Lacueva, C. (2009) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-009-2676-1 · Cited by 209 · see citing works
Self-citationStark, T. D., & Hofmann, T. F. (2005) · Journal of Agricultural and Food Chemistry · doi:10.1021/jf051313m · Cited by 171 · see citing works
Martín, M. Á., Granado‐Serrano, A. B., Ramos, S., et al. (2009) · The Journal of Nutritional Biochemistry · doi:10.1016/j.jnutbio.2008.10.009 · Cited by 149 · see citing works
Dietary intake of fish vs. formulations leads to higher plasma concentrations of n−3 fatty acids
Visioli, F., Risé, P., Barassi, M. C., Marangoni, F., & Galli, C. (2003) · Lipids · doi:10.1007/s11745-003-1077-x · Cited by 147 · see citing works
Determination of carryover and contamination for mass spectrometry-based chromatographic assays
Hughes, N. C., Wong, E. Y. K., Fan, J., & Bajaj, N. (2007) · The AAPS Journal · doi:10.1208/aapsj0903042 · Cited by 132 · see citing works
Milk and absorption of dietary flavanols
Schroeter, H., Holt, R. R., Orozco, T. J., Schmitz, H. H., & Keen, C. L. (2003) · Nature · doi:10.1038/426787b · Cited by 122 · see citing works
Mullen, W., Borges, G., Donovan, J. L., Edwards, C. A., Serafini, M., Lean, M. E. J., & Crozier, A. (2009) · American Journal of Clinical Nutrition · doi:10.3945/ajcn.2008.27339 · Cited by 121 · see citing works
Establishing Reporting Standards for Metabolomic and Metabonomic Studies: A Call for Participation
Fiehn, O., Kristal, B. S., van Ommen, B., Sumner, L. W., Sansone, S., Taylor, C., Hardy, N. W., & Kaddurah-Daouk, R. F. (2006) · OMICS A Journal of Integrative Biology · doi:10.1089/omi.2006.10.158 · Cited by 109 · see citing works
Metabolism of alkaloids in coffee plants
Ashihara, H. (2006) · Brazilian Journal of Plant Physiology · doi:10.1590/s1677-04202006000100001 · Cited by 105 · see citing works
Chocolate, Lifestyle, and Health
Visioli, F., Bernaert, H., Corti, R., Ferri, C., Heptinstall, S., Molinari, E., Poli, A., Serafini, M., Smit, H. J., Vinson, J. A., et al. (2009) · Critical Reviews in Food Science and Nutrition · doi:10.1080/10408390802066805 · Cited by 99 · see citing works
Sang, S., Lee, M., Yang, I., Buckley, B., & Yang, C. S. (2008) · Rapid Communications in Mass Spectrometry · doi:10.1002/rcm.3546 · Cited by 94 · see citing works
Guy, P. A., Tavazzi, I., Bruce, S. J., et al. (2008) · Journal of Chromatography B · doi:10.1016/j.jchromb.2008.04.034 · Cited by 92 · see citing works
Roura, E., Andrés‐Lacueva, C., Estruch, R., Mata-Bilbao, M. L., Izquierdo-Pulido, M., & Lamuela-Raventós, R. M. (2008) · British Journal Of Nutrition · doi:10.1017/s0007114508922534 · Cited by 91 · see citing works
Wang, Y., Wang, J., Yao, M., Zhao, X., Fritsche, J., Schmitt‐Kopplin, P., Cai, Z., Wan, D., Lu, X., Yang, S., et al. (2008) · Analytical Chemistry · doi:10.1021/ac8002402 · Cited by 78 · see citing works
Fardet, A., Llorach, R., Martin, J., Besson, C., Lyan, B., Pujos‐Guillot, E., & Scalbert, A. (2008) · Journal of Proteome Research · doi:10.1021/pr800034h · Cited by 73 · see citing works
Self-citationInstrumental and experimental effects in LC–MS-based metabolomics
Burton, L., Ivosev, G., Tate, S. A., Impey, G., Wingate, J., & Bonner, R. F. (2008) · Journal of Chromatography B · doi:10.1016/j.jchromb.2008.04.044 · Cited by 62 · see citing works
Evaluation of purine alkaloids and diketopiperazines contents in processed cocoa powder
Bonvehí, J. S., & Coll, F. V. (2000) · European Food Research and Technology · doi:10.1007/pl00005510 · Cited by 57 · see citing works
Unno, T., Tamemoto, K., Yayabe, F., & Kakuda, T. (2003) · Journal of Agricultural and Food Chemistry · doi:10.1021/jf034578e · Cited by 57 · see citing works
Hodson, M. P., Dear, G. J., Roberts, A. D., Haylock, C. L., Ball, R. J., Plumb, R. S., Stumpf, C. L., Griffin, J. L., & Haselden, J. N. (2006) · Analytical Biochemistry · doi:10.1016/j.ab.2006.12.037 · Cited by 51 · see citing works
Serum metabolic profiling of abnormal savda by liquid chromatography/mass spectrometry
Yin, P., Mohemaiti, P., Chen, J., Zhao, X., Lu, X., Yimiti, A., Upur, H., & Xu, G. (2008) · Journal of Chromatography B · doi:10.1016/j.jchromb.2008.05.043 · Cited by 43 · see citing works
Elimination of theobromine metabolites in healthy adults
Rodopoulos, N., Höjvall, L., & Norman, A. (1996) · Scandinavian Journal of Clinical and Laboratory Investigation · doi:10.3109/00365519609090590 · Cited by 43 · see citing works
Human urine: Epicatechin metabolites and antioxidant activity after cocoa beverage intake
Roura, E., Almajano, M. P., Mata-Bilbao, M. L., Andrés‐Lacueva, C., Estruch, R., & Lamuela-Raventós, R. M. (2007) · Free Radical Research · doi:10.1080/10715760701435236 · Cited by 32 · see citing works
Thevis, M., Opfermann, G., Krug, O., & Schänzer, W. (2004) · Rapid Communications in Mass Spectrometry · doi:10.1002/rcm.1518 · Cited by 30 · see citing works
Ducruix, C., Vailhen, D., Werner, E., Fiévet, J., Bourguignon, J., Tabet, J., Ezan, É., & Junot, C. (2007) · Chemometrics and Intelligent Laboratory Systems · doi:10.1016/j.chemolab.2007.08.002 · Cited by 25 · see citing works
Flagged first, then by citations
Cited by
Sorted by citations
The food metabolome: a window over dietary exposure
Scalbert, A., Brennan, L., Manach, C., Andres-Lacueva, C., Dragsted, L. O., Draper, J., Rappaport, S. M., van der Hooft, J. J., & Wishart, D. S. (2014) · The American Journal of Clinical Nutrition · doi:10.3945/ajcn.113.076133 · Cited by 519 · see citing works
Self-citationPujos-Guillot, E., Hubert, J., Martin, J.-F., Lyan, B., Quintana, M., Claude, S., Chabanas, B., Rothwell, J. A., Bennetau-Pelissero, C., Scalbert, A., et al. (2013) · Journal of Proteome Research · doi:10.1021/pr300997c · Cited by 166 · see citing works
Lloyd, A. J., Beckmann, M., Favé, G., Mathers, J. C., & Draper, J. (2011) · British Journal Of Nutrition · doi:10.1017/s0007114511001164 · Cited by 152 · see citing works
- Authors
- Llorach, R., Urpi-Sarda, M., Jauregui, O., Monagas, M., & Andres-Lacueva, C.
- Affiliations
- Department of Nutrition and Food Science, XaRTA-INSA, Pharmacy Faculty, University of Barcelona, Barcelona, Spain, Scientific and Technical Services, University of Barcelona, Barcelona, Spain, Instituto de Fermentaciones Industriales (CSIC), Madrid, Spain, and INGENIO−CONSOLIDER program Fun-C-Food, CSD2007-063, Barcelona, Spain
- Venue
- Journal of Proteome Research
- Publisher
- American Chemical Society (ACS)
- Published
- 2009-10-05
- Volume
- 8
- Issue
- 11
- Pages
- 5060-5068
- ISSN
- 1535-3893 (ISSN-L)
- 1535-3907
- OpenAlex
- W2118827828
- Cited by
- 144
- References
- 50
- Citations by year
- 2026: 2 · 2025: 1 · 2024: 2 · 2023: 2 · 2022: 5 · 2021: 6 · 2020: 5 · 2019: 8 · 2018: 10 · 2017: 10 · 2016: 5 · 2015: 10 · 2014: 21 · 2013: 22 · 2012: 13
- FWCI
- 18.47
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Journal of Proteome Research (publishedVersion)
- PubMed (publishedVersion)
- Topics
- Life Sciences › Agricultural and Biological Sciences › Food Science › Food Chemistry and Fat Analysis
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Metabolomics and Mass Spectrometry Studies
- Health Sciences › Medicine › Biochemistry › Phytochemicals and Antioxidant Activities
- Keywords
- cocoa consumption, urinary metabolome, polyphenol metabolites, alkaloid derivatives, diketopiperazines, gut microbiota metabolites
- MeSH terms
- Adolescent, Adult, Animals, Cacao, Chromatography, Liquid, Diet, Female, Flavonoids, Humans, Male, Middle Aged, Milk, Phenols, Mass Spectrometry, Urine, Biomarkers, Metabolomics, Young Adult
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
