UPLC-QTOF/MS metabolic profiling unveils urinary changes in humans after a whole grain rye versus refined wheat bread intervention
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.
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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 [86]
The recent description of benzoxazinoids in rye helped identify some of their metabolites (2,4-dihydroxy-1,4-benzoxazin-3-one, 2-aminophenol sulfate, and hydroxylated phenylacetamides) in urinary profiles after rye bread consumption.
“As an example, the recent description of benzoxazinoids in rye facilitated the identification of some of their metabolites (2,4-dihydroxy-1,4-benzoxazin-3-one, 2-aminophenol sulfate, and hydroxylated phenylacetamides) in urinary metabolic profiles observed after rye bread consumption (86,114).”
From The food metabolome: a window over dietary exposure (2014) · cites this paper as [86]
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The food metabolome: a window over dietary exposure
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- Authors
- Bondia‐Pons, I., Barri, T., Hanhineva, K., Juntunen, K., Dragsted, L. O., Mykkänen, H., & Poutanen, K.
- Affiliations
- University of Eastern Finland (FI)
- University of Copenhagen (DK)
- Kuopio University Hospital (FI)
- Corresponding author
- Bondia‐Pons, Isabel
- Venue
- Molecular Nutrition & Food Research
- Publisher
- Wiley
- Published
- 2013-01-10
- Volume
- 57
- Issue
- 3
- Pages
- 412-422
- ISSN
- 1613-4125 (ISSN-L)
- 1613-4133
- OpenAlex
- W1996958551
- Cited by
- 83
- References
- 60
- Citations by year
- 2026: 1 · 2025: 3 · 2024: 3 · 2023: 3 · 2022: 5 · 2021: 4 · 2020: 5 · 2019: 7 · 2018: 5 · 2017: 6 · 2016: 12 · 2015: 10 · 2014: 13 · 2013: 6
- FWCI
- 6.12
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Molecular Nutrition & Food Research (publishedVersion)
- PubMed (publishedVersion)
- Research at the University of Copenhagen (University of Copenhagen) (submittedVersion)
- Funders
- Nordic Centre of Excellence on ‘Systems biology in controlled dietary interventions and cohort studies' (070014)
- Nordea Foundation
- Academy of Finland
- Topics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Metabolomics and Mass Spectrometry Studies
- Health Sciences › Nursing › Nutrition and Dietetics › Food composition and properties
- Health Sciences › Medicine › Biochemistry › Phytochemicals and Antioxidant Activities
- Keywords
- urinary biomarkers, dietary intervention, non-targeted metabolite profiling, azelaic acid, benzoxazinoids, nitrogen-containing metabolites
- MeSH terms
- Adult, Aminophenols, Bread, Diet, Female, Humans, Male, Middle Aged, Phenylpropionates, Secale, Mass Spectrometry, Triticum, 4-Butyrolactone, Biomarkers, Lignans, Cross-Over Studies, Benzoxazines, Metabolome
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