Identification of novel lignans in the whole grain rye bran by non-targeted LC–MS metabolite profiling |
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Authors: | Kati Hanhineva Ilana Rogachev Anna-Marja Aura Asaph Aharoni Kaisa Poutanen Hannu Mykk?nen |
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Institution: | 1. Institute of Public Health and Clinical Nutrition, Food and Health Research Centre, University of Eastern Finland, P.O. Box 1627, 70211, Kuopio, Finland 2. Weizmann Institute of Science, Department of Plant Sciences, P.O. Box 26, 76100, Rehovot, Israel 3. VTT Technical Research Centre of Finland, P.O. Box 1000, 02044, VTT, Finland
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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?CMS 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. |
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