基于指纹图谱结合化学计量学和一测多评法的坐浴安散质量控制研究*

覃翔; 梁洁; 陈壮; 梁国成; 黄蓓; 黄燕琼; 余彤彤

doi:10.16155/j.0254-1793.2024-0167

药物分析杂志 >

2024 , Vol. 44 >Issue 11: 1885 - 1898

DOI: https://doi.org/10.16155/j.0254-1793.2024-0167

成分分析

基于指纹图谱结合化学计量学和一测多评法的坐浴安散质量控制研究^*

覃翔 ,
梁洁 ,
陈壮 ,
梁国成 ,
黄蓓 ,
黄燕琼 ,
余彤彤

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1.广西中医药大学附属瑞康医院,南宁 530011;
2.广西中医药大学药学院,南宁 530200;
3.广西壮瑶药工程技术研究中心,南宁 530200;
4.广西中医药大学第一附属医院,南宁 530023;
5.桂林医学院,桂林 541100

第一作者 Tel:13978633631;E-mail:47858686@qq.com

** 梁洁 Tel:13397710568;E-mail:liangjie1101@126.com
黄燕琼 Tel:18677057142;E-mail:26017473@qq.com

收稿日期: 2024-03-13

网络出版日期: 2025-01-07

基金资助

* 广西中医药管理局自筹经费科研课题(GXZYZ20210471)

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Quality control of Zuoyu’an San research based on fingerprint combined with chemometrics and QAMS^*

QIN Xiang ,
LIANG Jie ,
CHEN Zhuang ,
LIANG Guo-cheng ,
HUANG Bei ,
HUANG Yan-qiong ,
YU Tong-tong

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1. Ruikang Hospital Affiliated to Guangxi University of Chinese Medicine, Nanning 530011, China;
2. School of Pharmacy, Guangxi University of Chinese Medicine, Nanning 530200, China;
3. Guangxi Zhuang Yao Medicine Engineering Technology Research Center, Nanning 530200, China;
4. The First Affiliated Hospital of Guangxi University of Chinese Medicine, Nanning 530023, China;
5. Guilin Medical University, Guilin 541100, China

Received date: 2024-03-13

Online published: 2025-01-07

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摘要

目的:建立坐浴安散的HPLC指纹图谱,并结合化学计量学和一测多评法开展坐浴安散质量控制研究。方法:采用HPLC法建立12批坐浴安散的指纹图谱并进行相似度评价,结合聚类分析(CA)、主成分分析(PCA)、正交偏最小二乘-判别分析(OPLS-DA),对不同批次坐浴安散进行化学模式识别分析。同时以大黄酸为内标参照物建立一测多评(QAMS)法,建立内参物与药根碱、巴马汀、小檗碱、芦荟大黄素、大黄素、大黄酚、大黄素甲醚的相对校正因子,采用外标法(ESM)与QAMS法分别测定坐浴安散中药根碱、巴马汀、小檗碱、芦荟大黄素、大黄酸、大黄素、大黄酚、大黄素甲醚8个成分的含量,以验证QAMS结果的可靠性。结果:指纹图谱共标定23个共有峰,通过与混合对照品溶液比对指认出8个成分,样品与对照图谱相似度在0.952~0.994;CA将12批坐浴安散样品分为3类;PCA显示不同批次的坐浴安散化学成分存在一定的差异,并提取影响坐浴安散质量评价的主成分5个;OPLS-DA在23个共有峰中筛选出13个导致不同批次坐浴安散样品间质量差异的潜在标志成分(VIP>1);QAMS计算值与ESM测定值无明显差异。结论:建立的HPLC指纹图谱及多指标成分测定方法准确、简便,结合化学计量学方法可为坐浴安散的质量控制与评价提供参考。

关键词： 坐浴安散; 指纹图谱; 化学计量学; 一测多评法; 质量控制

本文引用格式

覃翔 , 梁洁 , 陈壮 , 梁国成 , 黄蓓 , 黄燕琼 , 余彤彤 . 基于指纹图谱结合化学计量学和一测多评法的坐浴安散质量控制研究^*[J]. 药物分析杂志, 2024 , 44(11) : 1885 -1898 . DOI: 10.16155/j.0254-1793.2024-0167

Abstract

Objective: To establish an HPLC fingerprint of Zuoyu’an San and conduct quality control by combining chemometrics and quantitative analysis of multi-components with a single-marker(QAMS). Methods: HPLC was used to establish the fingerprint spectra of 12 batches of Zuoyu’an San and perform similarity evaluation. Cluster analysis (CA), principal component analysis (PCA), and orthogonal partial least squares discriminant analysis (OPLS-DA) were combined to perform chemical pattern recognition analysis on different batches of Zuoyu’an San. At the same time, QAMS method was established using rhein as the internal standard reference. The relative correction factors between the internal reference and jatrorrhizine, palmatine, berberine, aloe-emodin, emodin, chrysophanol, and physcion were established. The external standard method (ESM) and QAMS method were used to determine jatrorrhizine, palmatine, berberine, aloe-emodin, rhein, emodin, chrysophanol, and physcion in Zuoyu’an San, respectively. To verify the reliability of QAMS metod results, the contents of 8 components of physcion were determined. Results: A total of 23 common peaks were calibrated in the fingerprint, and 8 components were identified by comparing with the mixed reference solution. The similarity between the samples and the control spectrum was between 0.952 and 0.994; CA divided 12 batches of Zuoyu’an San samples into 3 categories; PCA showed that there were certain differences in the chemical composition of different batches of Zuoyu’an San, and extracted 5 principal components that affected the quality evaluation of Zuoyu’an San; OPLS-DA screened out 13 potential marker components (VIP>1) among 23 common peaks that caused quality differences between different batches of Zuoyu’an San samples; There was no significant difference between the QAMS method calculated value and the ESM measured value. Conclusion: The established HPLC fingerprint and multi-index component determination method was accurate and simple, and combined with chemometric methods, could provide reference for the quality control and evaluation of Zuoyu’an San.

Key words： Zuoyu’an San; fingerprint; chemometrics; quantitative analysis of multi-components with a single-marker; quality control

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