Abstract
Rye (Secale cereale) is among the richest dietary sources
of lignan phytochemicals. Lignans are one of the
suggested metabolite groups to contribute to the
beneficial health effects of whole grain products
evidenced in epidemiological studies. So far, the
complete repertoire of lignan derivatives in rye,
especially in the bran, has not been fully described. In
this study, ten novel oligomeric sesqui- and dilignans
were identified in rye bran by the use of high resolution
LC-MS analysis (i.e., UPLC-qTOF-MS/MS). Putative
identification of lignan components in the bran was
performed by combining: (i) detailed inspection of the
fragmentation behavior of available standard compounds
belonging to different lignan types, (ii) interpretation
of MS/MS data obtained from unknown metabolites in the
samples. This combined analysis, particularly detailed
MS/MS characterization, is most valuable for non-targeted
assays in metabolite-rich matrices such as plant
extracts, in which the verification of identity with
authentic standards for each detected metabolite is
normally not possible. Metabolomics analysis will
increasingly aid in deciphering the active compounds in
dietary products as part of studies aiming at elucidating
the link between human health and nutrition.
Original language | English |
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Pages (from-to) | 399-409 |
Journal | Metabolomics |
Volume | 8 |
Issue number | 3 |
DOIs | |
Publication status | Published - 2012 |
MoE publication type | A1 Journal article-refereed |
Keywords
- Rye
- secale cerease
- whole grain
- bran
- lignan
- phytochemicals
- metabolite profiling
- metabolomics
- LC-MS