Abstract
| Original language | English |
|---|---|
| Pages (from-to) | 399-409 |
| Journal | Metabolomics |
| Volume | 8 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - 2012 |
| MoE publication type | A1 Journal article-refereed |
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Keywords
- Rye
- secale cerease
- whole grain
- bran
- lignan
- phytochemicals
- metabolite profiling
- metabolomics
- LC-MS
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Identification of novel lignans in the whole grain rye bran by non-targeted LC-MS metabolite profiling. / Hanhineva, Kati; Rogachev, Ilana; Aura, Anna-Marja; Aharoni, Asaph; Poutanen, Kaisa; Mykkänen, Hannu.
In: Metabolomics, Vol. 8, No. 3, 2012, p. 399-409.Research output: Contribution to journal › Article › Scientific › peer-review
TY - JOUR
T1 - Identification of novel lignans in the whole grain rye bran by non-targeted LC-MS metabolite profiling
AU - Hanhineva, Kati
AU - Rogachev, Ilana
AU - Aura, Anna-Marja
AU - Aharoni, Asaph
AU - Poutanen, Kaisa
AU - Mykkänen, Hannu
PY - 2012
Y1 - 2012
N2 - 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.
AB - 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.
KW - Rye
KW - secale cerease
KW - whole grain
KW - bran
KW - lignan
KW - phytochemicals
KW - metabolite profiling
KW - metabolomics
KW - LC-MS
U2 - 10.1007/s11306-011-0325-0
DO - 10.1007/s11306-011-0325-0
M3 - Article
VL - 8
SP - 399
EP - 409
JO - Metabolomics
JF - Metabolomics
SN - 1573-3882
IS - 3
ER -