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采用高效液相色谱和 UHPLC/LTQ-Orbitrap MS 结合化学计量学对 果实中的标记成分进行化学特征分析和筛选。

Chemical Profiling and Screening of the Marker Components in the Fruit of by HPLC and UHPLC/LTQ-Orbitrap MS with Chemometrics.

机构信息

School of Chinese Materia Medica, Beijing University of Chinese Medicine, Yangguang South Avenue, Fangshan District, Beijing 102488, China.

出版信息

Molecules. 2018 Jun 21;23(7):1501. doi: 10.3390/molecules23071501.

Abstract

L. which is known as “Golden Shower”, is used as an ornamental plant due to its flowers, and fruit parts of this plant have a high medicinal value. There are few reports providing a comprehensive overview of the chemical composition of its fruit or explaining the differences between samples from different sources because of the complexity of its chemical components. The purpose of the present study was to establish a fingerprint evaluation system based on Similarity Analysis (SA), Hierarchical Cluster Analysis (HCA) and Principal Component Analysis (PCA) for the composition identification and quality control of this herb. Twelve samples from Xinjiang and Sichuan provinces in China and India were analyzed by HPLC, and there were fifteen common peaks in the twelve batches. Molecular weight and formula information can be derived from thirty-one peaks by UHPLC/LTQ-Orbitrap MS, molecular structure information of twenty components was obtained, of which ten compounds were identified by comparison with standard materials. Samples of twelve batches were divided according to their similarity into four groups, which were basically consistent with three different fruit-producing areas. Five compounds were finally considered to be chemical markers to determine the quality of this herb. A fingerprints method combined with chemometrics was established to differentiate the origin of the fruit of which has the advantages of effectivity and convenience, laying the foundation for the quality evaluation of this herb from different sources.

摘要

淫羊藿,又称“金樱子”,因其花朵和果实部分具有很高的药用价值,被用作观赏植物。由于其化学成分复杂,关于其果实的化学成分的综合概述以及不同来源样品之间差异的报道很少。本研究旨在建立基于相似度分析(SA)、层次聚类分析(HCA)和主成分分析(PCA)的指纹评价体系,用于鉴定该草药的组成和质量控制。采用 HPLC 对来自中国新疆和四川以及印度的 12 个样本进行分析,在这 12 批样品中发现了 15 个共有峰。通过 UHPLC/LTQ-Orbitrap MS 可从 31 个峰中得到分子量和分子式信息,从 20 个成分中得到分子结构信息,其中 10 个化合物通过与标准物质比较进行了鉴定。根据相似度将 12 批样品分为四组,基本上与三个不同的产果地区一致。最后,确定了 5 种化合物作为化学标志物来确定该草药的质量。建立了一种结合化学计量学的指纹图谱方法来区分淫羊藿果实的产地,该方法具有有效性和便利性的优点,为不同来源的淫羊藿质量评价奠定了基础。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d7b/6100387/ffe2a03f68f3/molecules-23-01501-g001.jpg

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