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基于超高效液相色谱-四极杆-轨道阱高分辨质谱联用技术结合化学计量学对不同地理来源库拉索芦荟的化学指纹图谱进行全面鉴定及潜在质量标志物筛选

Comprehensive Identification of Chemical Fingerprint and Screening of Potential Quality Markers of Aloe vera (L.) Burm. f. from Different Geographical Origins via Ultra-High-Performance Liquid Chromatography Hyphenated with Quadrupole-Orbitrap-High-Resolution Mass Spectrometry Combined with Chemometrics.

作者信息

Yan Yahui, Abdulla Rahima, Ma Qingling, Aisa Haji Akber

机构信息

Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi, 830011, (P.R. China).

University of the Chinese Academy of Sciences, Beijing 100049, China.

出版信息

J Chromatogr Sci. 2023 Apr 24;61(4):312-321. doi: 10.1093/chromsci/bmad009.

DOI:10.1093/chromsci/bmad009
PMID:36892173
Abstract

An integrated strategy was developed for the systematic chemical fingerprint and chemometrics analysis for the quality assessment of Aloe vera (L.) Burm. f. The ultra-performance liquid chromatography fingerprint was established, and all common peaks were tentatively identified by using ultra-high-performance liquid chromatography hyphenated with quadrupole-orbitrap-high-resolution mass spectrometry. Afterwards, the datasets of common peaks were subjected to hierarchical cluster analysis, principal component analysis and partial least squares discriminant analysis to holistically compare the differences. The results revealed that the samples were predicted to fall into four clusters, which were related to four different geographical locations. Using the proposed strategy, aloesin, aloin A, aloin B, aloeresin D and 7-O-methylaloeresin A were rapidly determined to be the potential characteristic quality markers. Finally, five screened compounds in 20 batches of samples were simultaneously quantified, and their total contents were ranked as follows: Sichuan province > Hainan province > Guangdong province > Guangxi province, which suggests that geographical origins may be an important factor affecting the quality of A. vera (L.) Burm. f. This new strategy can not only be used to explore possibly the latent active substance candidates for pharmacodynamic studies, but it is also an efficient analytical strategy for other complex traditional Chinese medicine systems.

摘要

开发了一种综合策略,用于对库拉索芦荟(Aloe vera (L.) Burm. f.)的质量评估进行系统的化学指纹图谱和化学计量学分析。建立了超高效液相色谱指纹图谱,并使用超高效液相色谱与四极杆-轨道阱-高分辨率质谱联用对所有共有峰进行了初步鉴定。之后,对共有峰数据集进行层次聚类分析、主成分分析和偏最小二乘判别分析,以全面比较差异。结果显示,样品预计分为四类,这与四个不同的地理位置相关。使用所提出的策略,快速确定了芦荟素、芦荟苷A、芦荟苷B、芦荟树脂D和7-O-甲基芦荟树脂A为潜在的特征性质量标志物。最后,对20批样品中的5种筛选出的化合物进行了同时定量,其总含量排序如下:四川省>海南省>广东省>广西壮族自治区,这表明地理来源可能是影响库拉索芦荟质量的一个重要因素。这种新策略不仅可用于探索可能用于药效学研究的潜在活性物质候选物,也是用于其他复杂中药体系的一种有效分析策略。

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