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

Isabel Bondia-Pons (Corresponding Author), T. Barri, K. Hanhineva, K. Juntunen, L.O. Dragsted, H. Mykkänen, Kaisa Poutanen

Research output: Contribution to journalArticleScientificpeer-review

56 Citations (Scopus)

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.
Original languageEnglish
Pages (from-to)412-422
Number of pages11
JournalMolecular Nutrition and Food Research
Volume57
Issue number3
DOIs
Publication statusAccepted/In press - 2013
MoE publication typeA1 Journal article-refereed

Fingerprint

whole grain foods
Bread
metabolomics
rye
Triticum
metabolites
wheat
breads
urine
grain products
Urine
biomarkers
sulfates
Sulfates
benzoxazinoids
alkylresorcinols
Biomarkers
Benzoxazines
Secale
Whole Grains

Keywords

  • alkylresorcinols
  • metabolomics
  • rye bread
  • UPLC-QTOF/MS
  • whole grain

Cite this

Bondia-Pons, Isabel ; Barri, T. ; Hanhineva, K. ; Juntunen, K. ; Dragsted, L.O. ; Mykkänen, H. ; Poutanen, Kaisa. / UPLC-QTOF/MS metabolic profiling unveils urinary changes in humans after a whole grain rye versus refined wheat bread intervention. In: Molecular Nutrition and Food Research. 2013 ; Vol. 57, No. 3. pp. 412-422.
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abstract = "ScopeNon‐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 resultsUPLC‐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.ConclusionThe 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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UPLC-QTOF/MS metabolic profiling unveils urinary changes in humans after a whole grain rye versus refined wheat bread intervention. / Bondia-Pons, Isabel (Corresponding Author); Barri, T.; Hanhineva, K.; Juntunen, K.; Dragsted, L.O.; Mykkänen, H.; Poutanen, Kaisa.

In: Molecular Nutrition and Food Research, Vol. 57, No. 3, 2013, p. 412-422.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - UPLC-QTOF/MS metabolic profiling unveils urinary changes in humans after a whole grain rye versus refined wheat bread intervention

AU - Bondia-Pons, Isabel

AU - Barri, T.

AU - Hanhineva, K.

AU - Juntunen, K.

AU - Dragsted, L.O.

AU - Mykkänen, H.

AU - Poutanen, Kaisa

PY - 2013

Y1 - 2013

N2 - ScopeNon‐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 resultsUPLC‐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.ConclusionThe 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.

AB - ScopeNon‐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 resultsUPLC‐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.ConclusionThe 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.

KW - alkylresorcinols

KW - metabolomics

KW - rye bread

KW - UPLC-QTOF/MS

KW - whole grain

U2 - 10.1002/mnfr.201200571

DO - 10.1002/mnfr.201200571

M3 - Article

VL - 57

SP - 412

EP - 422

JO - Molecular Nutrition and Food Research

JF - Molecular Nutrition and Food Research

SN - 1613-4125

IS - 3

ER -