经典名方旋覆代赭汤乙酸乙酯部位指纹图谱及化学模式识别研究  

Study on Xuanfu Daizhe Decoctions by Fingerprints and Chemical Pattern Recognition of its Ethyl Acetate Extracts

作　　者：汪怡[1] 刘菊[2] 徐倩菲 李青松[1] 徐诚[1] WANG Yi;LIU Ju;XU Qianfei;LI Qingsong;XU Cheng(Department of Pharmacy,Kunshan Traditional Chinese Medicine Hospital,Kunshan 215300,China;Department of Technology,Kunshan Traditional Chinese Medicine Hospital,Kunshan 215300,China;Guidance Office of Chinese Medicine,Kunshan Traditional Chinese Medicine Hospital,Kunshan 215300,China)

机构地区：[1]昆山市中医医院药学部,昆山215300 [2]昆山市中医医院科技处,昆山215300 [3]昆山市中医医院中医指导处,昆山215300

出　　处：《药学与临床研究》2024年第5期402-406,共5页Pharmaceutical and Clinical Research

基　　金：江苏省自然科学基金青年项目(BK20180265);江苏省中药骨干人才高级研修项目;苏州科技计划项目(SYSD2019199);北京医学奖励基金会项目(H-BJYX01)。

摘　　要：目的:建立旋覆代赭汤乙酸乙酯部位UPLC指纹图谱,结合化学模式识别分析不同产地饮片对旋覆代赭汤质量的影响。方法:采用Waters UPLC BEH C_(18)(2.1 mm×150 mm,1.7μm)色谱柱,流动相为乙腈-甲醇-0.4%甲酸水溶液,体积流量0.1 mL·min^(-1),梯度洗脱,检测波长350 nm;建立13批不同产地饮片提取的旋覆代赭汤样品指纹图谱,进行相似度评价,并结合聚类分析(CA)、主成分分析(PCA)和正交偏最小二乘法-判别分析(OPLS-DA),对旋覆代赭汤指纹图谱数据进行分析。结果:13批旋覆代赭汤指纹图谱确定22个共有特征峰,指认出12个多酚类成分,其中11个多酚类成分来自于旋覆花,其相似度均在0.9以上;通过CA发现,13批样品可按旋覆花产地分为三类;PCA与CA结果基本一致,并提取出4个主成分;OPLS-DA筛选出影响分类的差异性质量标志物,其中已指认出的成分有异绿原酸、异槲皮苷、异鼠李素-3-O-葡萄糖苷、异绿原酸B、1,5-二咖啡酰奎宁酸、绿原酸、槲皮万寿菊苷、槲皮素。结论:通过指纹图谱结合化学模式识别技术的分析策略,可快速有效地筛选不同批次旋覆代赭汤中多酚类成分中的差异质量标志物,为后续旋覆代赭汤的药效物质基础研究和质量评价提供参考。Objective:To establish UPLC fingerprint of the ethyl acetate extract of Xuanfu Daizhe decoction and analyze the effects of different origin slices on the quality of Xuanfu Daizhe decoction combined with chemical pattern recognition.Methods:Waters UPLC BEH C_(18)(2.1 mm×150 mm,1.7μm)column was adopted with mobile phase consisting of acetonitrile-methanol-0.4%formic acid aqueous solution with volume flow of 0.1 mL·min^(-1) and gradient elution.The fingerprint of 13 batches of Xuanfu Daizhe decoction samples extracted from different origin was established at the wavelength of 350 nm,and the similarity evaluation was carried out.In addition,cluster analysis(CA),principal component analysis(PCA)and orthogonal partial least square discriminant analysis(OPLS-DA)were combined to conduct dimensionality reduction analysis on the fingerprint data of Xuanfu Daizhe decoction.Results:The fingerprint of 13 batches of Xuanfu Daizhe decoction identified 22 common characteristic peaks,and identified 12 polyphenolic components,11 of which were from the flower,and their similarity was above 0.9.It was found by CA that 13 batches of samples could be divided into three categories according to the origin.The results of PCA and CA were basically consistent,and 4 principal components were extracted.OPLS-DA screened out the different quality markers that affected the classification,and the components that had been identified were isochlorogenic acid,isoquercetin,isorhamnein-3-O-glucoside,isochlorogenic acid B,1,5-dicafeoylquinic acid,chlorogenic acid,quercetin and quercetin.Conclusion:The different quality markers of polyphenols in different batches of Xuanfu Daizhe decoction can be quickly and effectively screened through the analysis strategy of fingerprint and chemical pattern recognition technology,which provides a reference for the subsequent basic research of pharmacodynamic substances,formulation development and quality evaluation of Xuanfu Daizhe decoction.

关 键 词：旋覆代赭汤 乙酸乙酯部位 指纹图谱 聚类分析 主成分分析 正交偏最小二乘法-判别分析 

分 类 号：R286.0[医药卫生—中药学]