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通过 UPLC-MS 和 GC-MS 进行代谢产物分析,利用多元数据分析方法对葫芦巴种子进行分析。

Metabolite profiling in Trigonella seeds via UPLC-MS and GC-MS analyzed using multivariate data analyses.

机构信息

Pharmacognosy Department, College of Pharmacy, Cairo University, Kasr el Aini St, Cairo, 11562, Egypt.

Pharmacognosy Department, Faculty of Pharmacy, October 6 University, Central axis, Part 1/1, Sixth of October City, 12566, Giza, Egypt.

出版信息

Anal Bioanal Chem. 2016 Nov;408(28):8065-8078. doi: 10.1007/s00216-016-9910-4. Epub 2016 Sep 10.

DOI:10.1007/s00216-016-9910-4
PMID:27614978
Abstract

Trigonella foenum-graecum is a plant of considerable value for its nutritive composition as well as medicinal effects. This study aims to examine Trigonella seeds using a metabolome-based ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) in parallel to gas chromatography-mass spectrometry (GC-MS) coupled with multivariate data analyses. The metabolomic differences of seeds derived from three Trigonella species, i.e., T. caerulea, T. corniculata, and T. foenum-graecum, were assessed. Under specified conditions, we were able to identify 93 metabolites including 5 peptides, 2 phenolic acids, 22 C/O-flavonoid conjugates, 26 saponins, and 9 fatty acids using UPLC-MS. Several novel dipeptides, saponins, and flavonoids were found in Trigonella herein for the first time. Samples were classified via unsupervised principal component analysis (PCA) followed by supervised orthogonal projection to latent structures-discriminant analysis (OPLS-DA). A distinct separation among the investigated Trigonella species was revealed, with T. foenum-graecum samples found most enriched in apigenin-C-glycosides, viz. vicenins 1/3 and 2, compared to the other two species. In contrast to UPLC-MS, GC-MS was less efficient to classify specimens, with differences among specimens mostly attributed to fatty acyl esters. GC-MS analysis of Trigonella seed extracts led to the identification of 91 metabolites belonging mostly to fatty acyl esters, free fatty acids followed by organic acids, sugars, and amino acids. This study presents the first report on primary and secondary metabolite compositional differences among Trigonella seeds via a metabolomics approach and reveals that, among the species examined, the official T. foenum-graecum presents a better source of Trigonella secondary bioactive metabolites.

摘要

鹰嘴豆是一种具有相当营养价值和药用功效的植物。本研究旨在使用基于代谢组学的超高效液相色谱-质谱联用(UPLC-MS)与气相色谱-质谱联用(GC-MS)结合多元数据分析方法来研究鹰嘴豆种子。评估了来自三种鹰嘴豆物种,即天蓝苜蓿、毛蕊花和鹰嘴豆的种子的代谢组学差异。在规定的条件下,我们能够使用 UPLC-MS 鉴定出 93 种代谢物,包括 5 种肽、2 种酚酸、22 种 C/O-黄酮苷、26 种皂苷和 9 种脂肪酸。本文首次在鹰嘴豆中发现了几种新的二肽、皂苷和类黄酮。通过无监督主成分分析(PCA)和有监督正交偏最小二乘判别分析(OPLS-DA)对样品进行分类。结果表明,所研究的鹰嘴豆物种之间存在明显的分离,与其他两种物种相比,T. foenum-graecum 样品中富含芹菜素-C-糖苷,即 vicenins 1/3 和 2。与 UPLC-MS 相比,GC-MS 对标本的分类效果较差,标本之间的差异主要归因于脂肪酸酯。GC-MS 分析鹰嘴豆种子提取物鉴定出 91 种代谢物,主要属于脂肪酸酯、游离脂肪酸,其次是有机酸、糖和氨基酸。本研究通过代谢组学方法首次报道了鹰嘴豆种子中初级和次级代谢物组成差异,并表明在所研究的物种中,官方的 T. foenum-graecum 是鹰嘴豆次级生物活性代谢物的更好来源。

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