title: UPLC-QTOF/MS metabolic profiling unveils urinary changes in humans after a whole grain rye versus refined wheat bread intervention.
abstract: METHODS
  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).
  
  
  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.
  
  
  CONCLUSIONS
  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.
authors: Institute of Public Health and Clinical Nutrition, Clinical Nutrition, Food and Health Research Centre, University of Eastern Finland, Kuopio Campus, Kuopio, Finland. Ext-Isabel.BondiaPons@vtt.fi
authors: Isabel
authors: I
authors: Bondia-Pons
authors: Thaer
authors: T
authors: Barri
authors: Kati
authors: K
authors: Hanhineva
authors: Katri
authors: K
authors: Juntunen
authors: Lars O
authors: LO
authors: Dragsted
authors: Hannu
authors: H
authors: Mykkänen
authors: Kaisa
authors: K
authors: Poutanen
mesh_terms: D015107:4-Butyrolactone / Q000031:analogs & derivatives / Q000652:urine; D000328:Adult; D000627:Aminophenols / Q000652:urine; D048588:Benzoxazines / Q000652:urine; D015415:Biomarkers / Q000652:urine*; D001939:Bread; D018592:Cross-Over Studies; D004032:Diet; D005260:Female; D006801:Humans; D017705:Lignans / Q000652:urine; D008297:Male; D013058:Mass Spectrometry / Q000379:methods; D055442:Metabolome; D008875:Middle Aged; D010666:Phenylpropionates / Q000652:urine; D012434:Secale; D014908:Triticum
chemical_list: C532605:3-(3,5-dihydroxyphenyl)-1-propanoic acid; D000627:Aminophenols; D048588:Benzoxazines; D015415:Biomarkers; D017705:Lignans; D010666:Phenylpropionates; C027667:2-aminophenol; C104846:2,4-dihydroxy-1,4-benzoxazin-3-one; D015107:4-Butyrolactone; C029497:2,3-bis(3'-hydroxybenzyl)butyrolactone