Combined urinary biomarkers to assess coffee intake using untargeted metabolomics: Discovery in three pilot human intervention studies and validation in cross-sectional studies
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Combined urinary biomarkers to assess coffee intake using untargeted metabolomics: Discovery in three pilot human intervention studies and validation in cross-sectional studies. / Xi, Muyao; Berendsen, Agnes A M; Ernst, Madeleine; Hu, Tu; Vazquez Manjarrez, Natalia; Feskens, Edith J M; Dragsted, Lars Ove; La Barbera, Giorgia.
In: Journal of Agricultural and Food Chemistry, Vol. 69, No. 25, 2021, p. 7230-7241.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Combined urinary biomarkers to assess coffee intake using untargeted metabolomics: Discovery in three pilot human intervention studies and validation in cross-sectional studies
AU - Xi, Muyao
AU - Berendsen, Agnes A M
AU - Ernst, Madeleine
AU - Hu, Tu
AU - Vazquez Manjarrez, Natalia
AU - Feskens, Edith J M
AU - Dragsted, Lars Ove
AU - La Barbera, Giorgia
N1 - CURIS 2021 NEXS 213
PY - 2021
Y1 - 2021
N2 - Coffee is a widely consumed beverage worldwide and has a high content of chlorogenic acids, polyphenols, methylxanthines, and volatile flavor compounds. Scientific evidence to support the beneficial health effects of coffee is limited, and validated urinary biomarkers of coffee intake are therefore needed. We observed 23 common putative biomarkers of coffee intake in three separate parallel intervention studies by ultra-high-performance liquid chromatography-electrospray ionization-quadrupole time-of-flight-mass spectrometry (UHPLC-ESI-QTOF-MS) and multivariate analyses. Baseline samples from the NU-AGE study were used to confirm and validate 16 of these candidate biomarkers, including their robustness, time response, and dose response. These validated candidate biomarkers are N-methylpyridinium cation, 1-methyl-1H-pyrrole-2-carboxaldehyde, 1H-pyrrole-2-carboxaldehyde sulfate, 3-piperidinemethanol, furfurylidene-furfurylamine, 2-furoylglycine, N-substituted-5-(aminoethyl) furan-2-carbaldehyde derivative, 3′,4′-dihydroxyacetophenone sulfate, caffeine, dihydroxystyrene glucuronide, ferulic acid sulfate, 4-ethylcatechol glucuronide, 3-feruloylquinic acid, 3,4-dihydroxystyrene sulfate, one unknown glucuronide, and one unknown sulfate. Combinations of candidate biomarkers gave a better prediction of coffee consumption than individual biomarkers. The robustness of the combined biomarkers requires additional validation in cohort studies covering other populations.
AB - Coffee is a widely consumed beverage worldwide and has a high content of chlorogenic acids, polyphenols, methylxanthines, and volatile flavor compounds. Scientific evidence to support the beneficial health effects of coffee is limited, and validated urinary biomarkers of coffee intake are therefore needed. We observed 23 common putative biomarkers of coffee intake in three separate parallel intervention studies by ultra-high-performance liquid chromatography-electrospray ionization-quadrupole time-of-flight-mass spectrometry (UHPLC-ESI-QTOF-MS) and multivariate analyses. Baseline samples from the NU-AGE study were used to confirm and validate 16 of these candidate biomarkers, including their robustness, time response, and dose response. These validated candidate biomarkers are N-methylpyridinium cation, 1-methyl-1H-pyrrole-2-carboxaldehyde, 1H-pyrrole-2-carboxaldehyde sulfate, 3-piperidinemethanol, furfurylidene-furfurylamine, 2-furoylglycine, N-substituted-5-(aminoethyl) furan-2-carbaldehyde derivative, 3′,4′-dihydroxyacetophenone sulfate, caffeine, dihydroxystyrene glucuronide, ferulic acid sulfate, 4-ethylcatechol glucuronide, 3-feruloylquinic acid, 3,4-dihydroxystyrene sulfate, one unknown glucuronide, and one unknown sulfate. Combinations of candidate biomarkers gave a better prediction of coffee consumption than individual biomarkers. The robustness of the combined biomarkers requires additional validation in cohort studies covering other populations.
KW - Faculty of Science
KW - Beverage
KW - Chromatography
KW - Mass spectrometry
KW - Metabolite
KW - Prediction
U2 - 10.1021/acs.jafc.1c01155
DO - 10.1021/acs.jafc.1c01155
M3 - Journal article
C2 - 34143629
VL - 69
SP - 7230
EP - 7241
JO - Journal of Agricultural and Food Chemistry
JF - Journal of Agricultural and Food Chemistry
SN - 0021-8561
IS - 25
ER -
ID: 272403539