Metabolomics driven analysis of six Nigella species seeds via UPLC-qTOE-MS and GC-MS coupled to chemometrics
Metabolomics driven analysis of six Nigella species seeds via UPLC-qTOE-MS and GC-MS coupled to chemometrics
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DOI：
10.1016/j.foodchem.2013.11.032
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发表时间：
2014-05-15
期刊：
影响因子：
8.8
通讯作者：
Wessjohann, Ludger A.
中科院分区：
文献类型：
--
作者：
Farag, Mohamed A.;Gad, Haidy A.;Wessjohann, Ludger A.
黑种草，俗称黑孜然籽，是一种流行的草药补充剂，含有许多植物化学物质，包括萜类化合物，皂苷，黄酮类化合物，生物碱。只有少数的CA。本文对黑种草属15种植物的化学成分和药理活性进行了研究。在这里，大规模的代谢分析，包括UPLC-PDA-MS和GC-MS与进一步的多变量分析，用于分类6黑种草。在优化的条件下，我们能够注释52个代谢产物，包括8个皂苷，10个黄酮类化合物，6个酚类化合物，10个生物碱，和18个脂肪酸。UPLC-MS谱图中有助于种间区分的主要峰被指定为山奈酚糖苷缀合物，山奈酚-3-O-[吡喃葡萄糖基-（1-> 2）-吡喃半乳糖基-（1 -> 2）-吡喃葡萄糖苷被鉴定为N. sativa.与GC-MS相比，UPLC-MS在黑种草属植物的遗传和地理来源分类上更有效。尽管如此，GC-MS和UPLC-MS都支持黑种草与其他类群的遥远位置。(C)2013爱思唯尔有限公司保留所有权利。
Nigella sativa, commonly known as black cumin seed, is a popular herbal supplement that contains numerous phytochemicals including terpenoids, saponins, flavonoids, alkaloids. Only a few of the ca. 15 species in the genus Nigella have been characterized in terms of phytochemical or pharmacological properties. Here, large scale metabolic profiling including UPLC-PDA-MS and GC-MS with further multivariate analysis was utilized to classify 6 Nigella species. Under optimized conditions, we were able to annotate 52 metabolites including 8 saponins, 10 flavonoids, 6 phenolics, 10 alkaloids, and 18 fatty acids. Major peaks in UPLC-MS spectra contributing to the discrimination among species were assigned as kaempferol glycosidic conjugates, with kaempferol-3-O-[glucopyranosyl-(1 -> 2)-galactopyranosyl-(1 -> 2)-glucopyranoside, identified as potential taxonomic marker for N. sativa. Compared with GC-MS, UPLC-MS was found much more efficient in Nigella sample classification based on genetic and geographical origin. Nevertheless, both GC-MS and UPLC-MS support the remote position of Nigella nigellastrum in relation to the other taxa. (C) 2013 Elsevier Ltd. All rights reserved.