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基于超高效液相色谱-四极杆飞行时间质谱联用技术结合化学计量学对溪黄草不同部位化学成分的分析

[Analysis of chemical compositions in different parts of Isodon japonicus using UPLC-Q-TOF-MS technique combined with chemometrics].

作者信息

Hu Qian-Nan, Tian Chun-Fang, Wei Chao-Fa, Lan Xiao-Yan, Li Xiang, Zhou Li, Qiu Zi-Dong, Zhang Yuan, Zhu Jia-Ming, Li Wen-Yue, Kang Li-Ping

机构信息

Tianjin University of Traditional Chinese Medicine Tianjin 301617, China State Key Laboratory for Quality Ensurance and Sustainable Use of Dao-di Herbs, National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences Beijing 100700, China.

State Key Laboratory for Quality Ensurance and Sustainable Use of Dao-di Herbs, National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences Beijing 100700, China.

出版信息

Zhongguo Zhong Yao Za Zhi. 2024 May;49(9):2478-2488. doi: 10.19540/j.cnki.cjcmm.20240122.201.

DOI:10.19540/j.cnki.cjcmm.20240122.201
PMID:38812147
Abstract

In order to analyze the similarities and differences of chemical compositions between the roots and stems and leaves of Isodon japonicus(IJ), this study utilized UPLC-Q-TOF-MS technology to systematically characterize its chemical compositions, analyzed and identified the structure of its main compounds, and established a method for simultaneous determination of its content by refe-rence substance. A total of 34 major compounds in IJ, including 14 reference compounds, were identified or predicted online. Moreover, an UPLC-UV content determination method was developed for 11 compounds [danshensu, caffeic acid, vicenin-2,(1S,2S)-globoidnan B, rutin,(+)-rabdosiin,(-)-rabdosiin,(1S,2S)-rabdosiin, shimobashiric acid C, rosmarinic acid, and pedalitin]. The method exhibited excellent separation, stability, and repeatability, with a wide linear range(0.10-520.00 μg·mL(-1)) and high linearity(R2>0.999). The average recovery rates ranged from 94.72% to 104.2%. The principal component analysis(PCA) demonstrated a clear difference between the roots and stems and leaves of IJ, indicating good separation by cluster. Furthermore, the orthogonal partial least squares discriminant analysis(OPLS-DA) model was employed, and six main differentially identified compounds were identified: rosmarinic acid, shimobashiric acid C, epinodosin, pedalitin, rutin, and(1S,2S)-rabdosiin. In summary, this study established a strategy and method for distinguishing different parts of IJ, providing a valuable tool for quality control of IJ and a basis for the ratio-nal utilization and sustainable development of IJ.

摘要

为分析夏枯草根、茎、叶之间化学成分的异同,本研究采用超高效液相色谱-四极杆飞行时间质谱技术对其化学成分进行系统表征,分析鉴定其主要化合物结构,并建立了对照品同时测定其含量的方法。共鉴定或在线预测出夏枯草中34种主要化合物,其中包括14种对照品。此外,建立了11种化合物[丹参素、咖啡酸、异荭草苷、(1S,2S)-球松素B、芦丁、(+)-夏枯草苷、(-)-夏枯草苷、(1S,2S)-夏枯草苷、岛津酸C、迷迭香酸和芹菜素]的超高效液相色谱-紫外含量测定方法。该方法分离度、稳定性和重复性良好,线性范围宽(0.10 - 520.00μg·mL⁻¹),线性关系良好(R²>0.999)。平均回收率在94.72%至104.2%之间。主成分分析(PCA)表明夏枯草根、茎、叶之间存在明显差异,聚类分离效果良好。此外,采用正交偏最小二乘法判别分析(OPLS-DA)模型,鉴定出6种主要差异化合物:迷迭香酸、岛津酸C、表夏枯草苷、芹菜素、芦丁和(1S,2S)-夏枯草苷。综上所述,本研究建立了区分夏枯草不同部位的策略和方法,为夏枯草的质量控制提供了有价值的工具,也为夏枯草的合理利用和可持续发展奠定了基础。

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