Chemical Characterization of the Traditional Chinese Medicine Zishui Qingxin Yin by Ultra-High Performance Liquid Chromatography and Q Exactive Orbitrap Mass Spectrometers Combined With Molecular Networking and Quantitative Analysis of the Main Components by High-Performance Liquid Chromatography With Diode Array Detection

IF 2.8 3区工程技术 Q2 CHEMISTRY, ANALYTICAL

Journal of separation science Pub Date : 2025-05-06 DOI:10.1002/jssc.70166

Fei Pang, Yi-Wei Zhou, Ying-Chu Shi, Yu-Xin Yu, Jiu-Xia Gao, Ling Zhang, Jia Xu

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引用次数: 0

Abstract

Atopic dermatitis is a recurrent, pruritic, localized eczema. Zishui Qingxin Yin (ZSQXY) is derived from two classic prescriptions, Daochi San and Bao He Wan, and has a significant antipruritic effect in clinical practice, but the pharmacodynamic material basis of its action is still unclear. In this study, ultra-high performance liquid chromatography and Q Exactive Orbitrap mass spectrometers combined with Molecular Networking method was established to comprehensively analyze its chemical components. A total of 247 chemical compounds were identified, of which 12 were new compounds; the structural types included 89 flavonoids, 54 terpenoids, 56 alkaloids, 39 phenylpropanoids, and 18 other compounds, and the identified compounds were classified into different traditional Chinese medicines. At the same time, high-performance liquid chromatography with diode array detection was used to determine the content of 14 compounds with higher contents in ZSQXY. This study provides a scientific basis for further studying the mechanism of action, metabolic characteristics, and subsequent development of ZSQXY.

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超高效液相色谱- Q精确轨道阱质谱结合分子网络技术对中药紫水清心饮进行化学表征，高效液相色谱-二极管阵列检测对主要成分进行定量分析

特应性皮炎是一种复发性、瘙痒性、局部性湿疹。紫水清心饮（ZSQXY）是由道池散和保和丸两种经典方药衍生而来，在临床实践中具有显著的止痒作用，但其作用的药效学物质基础尚不清楚。本研究建立了超高效液相色谱和Q萃取轨道rap质谱结合分子网络方法对其化学成分进行综合分析。共鉴定出247个化合物，其中12个为新化合物；其中黄酮类化合物89种，萜类化合物54种，生物碱56种，苯丙类化合物39种，其他化合物18种。同时采用高效液相色谱二极管阵列检测对ZSQXY中含量较高的14个化合物进行了含量测定。本研究为进一步研究ZSQXY的作用机制、代谢特性及后续开发提供了科学依据。

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来源期刊

Journal of separation science 化学-分析化学

CiteScore

6.30

自引率

16.10%

发文量

408

审稿时长

1.8 months

期刊介绍： The Journal of Separation Science (JSS) is the most comprehensive source in separation science, since it covers all areas of chromatographic and electrophoretic separation methods in theory and practice, both in the analytical and in the preparative mode, solid phase extraction, sample preparation, and related techniques. Manuscripts on methodological or instrumental developments, including detection aspects, in particular mass spectrometry, as well as on innovative applications will also be published. Manuscripts on hyphenation, automation, and miniaturization are particularly welcome. Pre- and post-separation facets of a total analysis may be covered as well as the underlying logic of the development or application of a method.