UPLC-QTOF/MS metabolic profiling unveils urinary changes in humans after a whole grain rye versus refined wheat bread intervention

Mol Nutr Food Res. 2013 Mar;57(3):412-22. doi: 10.1002/mnfr.201200571. Epub 2013 Jan 10.

Abstract

Scope: Non-targeted urine metabolite profiling has not been previously exploited in the field of whole grain (WG) products. WG products, particularly rye, are important elements in a healthy Nordic diet. The aim of this study was to identify novel urinary biomarkers of WG rye bread (RB) intake in a randomised crossover study with RB versus refined wheat bread (WB).

Methods and results: UPLC-QTOF/MS metabolite profiling was applied to urine from a 2 × 4 wk crossover intervention with RB versus WB in 20 subjects. Sixteen metabolites were revealed as major contributing biomarkers. The most discriminative metabolite after the cereal intervention was identified as 3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate, which was excreted to a higher extent after the RB versus WB intervention. Other alkylresorcinol metabolites were identified, as well as enterolactone glucuronide, azelaic acid, 2-aminophenol sulphate and its benzoxazinoid precursor 2,4-dihydroxy-1,4-benzoxazin-3-one. Our study also suggests that nitrogen-containing metabolites are other major markers. However, other methodologies will be needed to elucidate their final structure.

Conclusion: The present non-targeted metabolite profiling proved to be a useful approach to identify major urine metabolites discriminating RB intake from that of white wheat bread. Once validated these markers could help evaluate compliance to healthy Nordic diets.

Publication types

  • Randomized Controlled Trial
  • Research Support, Non-U.S. Gov't

MeSH terms

  • 4-Butyrolactone / analogs & derivatives
  • 4-Butyrolactone / urine
  • Adult
  • Aminophenols / urine
  • Benzoxazines / urine
  • Biomarkers / urine*
  • Bread*
  • Cross-Over Studies
  • Diet*
  • Female
  • Humans
  • Lignans / urine
  • Male
  • Mass Spectrometry / methods
  • Metabolome
  • Middle Aged
  • Phenylpropionates / urine
  • Secale*
  • Triticum*

Substances

  • 3-(3,5-dihydroxyphenyl)-1-propanoic acid
  • Aminophenols
  • Benzoxazines
  • Biomarkers
  • Lignans
  • Phenylpropionates
  • 2-aminophenol
  • 2,4-dihydroxy-1,4-benzoxazin-3-one
  • 4-Butyrolactone
  • 2,3-bis(3'-hydroxybenzyl)butyrolactone