Division of Pharmacognosy, Institute of Biology, Leiden University, Leiden, The Netherlands.
Phytochemistry. 2010 May;71(7):773-84. doi: 10.1016/j.phytochem.2010.02.001. Epub 2010 Mar 2.
The genus Ilex to which mate (Ilex paraguariensis) belongs, consists of more than 500 species. A wide range of metabolites including saponins and phenylpropanoids has been reported from Ilex species. However, despite the previous works on the Ilex metabolites, the metabolic similarities between species which can be used for chemotaxonomy of the species are not clear yet. In this study, nuclear magnetic resonance (NMR) spectroscopy-based metabolomics was applied to the classification of 11 South American Ilex species, namely, Ilex argentina, Ilex brasiliensis, Ilex brevicuspis, Ilex dumosa var. dumosa, I. dumosa var. guaranina, Ilex integerrima, Ilex microdonta, I. paraguariensis var. paraguariensis, Ilex pseudobuxus, Ilex taubertiana, and Ilex theezans. (1)H NMR combined with principal component analysis (PCA), partial least square-discriminant analysis (PLS-DA) and hierarchical cluster analysis (HCA) showed a clear separation between species and resulted in four groups based on metabolomic similarities. The signal congestion of (1)H NMR spectra was overcome by the implementation of two-dimensional (2D)-J-resolved and heteronuclear single quantum coherence (HSQC). From the results obtained by 1D- and 2D-NMR-based metabolomics it was concluded that species included in group A (I. paraguariensis) were metabolically characterized by a higher amount of xanthines, and phenolics including phenylpropanoids and flavonoids; group B (I. dumosa var. dumosa and I. dumosa var. guaranina) with oleanane type saponins; group C (I. brasiliensis, I. integerrima, I. pseudobuxus and I. theezans) with arbutin and dicaffeoylquinic acids, and group D (I. argentina, I. brevicuspis, I. microdonta and I. taubertiana) with the highest level of ursane-type saponins. Clear metabolomic discrimination of Ilex species and varieties in this study makes the chemotaxonomic classification of Ilex species possible.
该属的马黛茶（Ilex paraguariensis）属于，由超过 500 种组成。从马黛茶属物种中已报道了包括三萜皂苷和苯丙素在内的多种代谢产物。然而，尽管以前对马黛茶代谢产物进行了研究，但物种之间的代谢相似性尚不清楚，这些相似性可用于物种的化学分类。在这项研究中，基于核磁共振（NMR）光谱的代谢组学被应用于 11 种南美马黛茶物种的分类，即阿根廷马黛茶（Ilex argentina）、巴西马黛茶（Ilex brasiliensis）、短刺马黛茶（Ilex brevicuspis）、多刺马黛茶（Ilex dumosa var. dumosa）、瓜拉尼马黛茶（I. dumosa var. guaranina）、全缘马黛茶（Ilex integerrima）、微齿马黛茶（Ilex microdonta）、巴拉圭马黛茶（Ilex paraguariensis var. paraguariensis）、假石南马黛茶（Ilex pseudobuxus）、塔伯坦马黛茶（Ilex taubertiana）和喜树马黛茶（Ilex theezans）。（1）H NMR 结合主成分分析（PCA）、偏最小二乘判别分析（PLS-DA）和层次聚类分析（HCA）显示了物种之间的明显分离，并基于代谢相似性分为四组。通过二维（2D）-J 分辨和异核单量子相干（HSQC）克服了（1）H NMR 谱的信号拥挤。从基于 1D 和 2D-NMR 的代谢组学获得的结果得出结论，属于组 A（巴拉圭马黛茶）的物种在黄嘌呤和包括苯丙素和类黄酮在内的酚类物质的含量较高；组 B（多刺马黛茶和瓜拉尼马黛茶）含有齐墩果烷型皂苷；组 C（巴西马黛茶、全缘马黛茶、假石南马黛茶和喜树马黛茶）含有熊果酸和二咖啡酰奎宁酸；组 D（阿根廷马黛茶、短刺马黛茶、微齿马黛茶和塔伯坦马黛茶）含有最高水平的乌苏烷型皂苷。本研究对马黛茶属物种和品种的代谢组学进行了清晰的区分，使得马黛茶属物种的化学分类成为可能。
