基于UPLC指纹图谱及化学识别模式的防暑清热饮质量评价  

Quality evaluation of Fangshu Qingre mixture based on UPLC fingerprint and chemical recognition pattern

作　　者：李杰 杨育儒 祝珊珊 秦飞 Jie LI;Yu-Ru YANG;Shan-Shan ZHU;Fei QIN(Department of Pharmacy,Xiamen Medical College,Xiamen 361023,Fujian Province,China;Department of Pharmacy,Southeast Hospital Affiliated to Xiamen University,Zhangzhou 363000,Fujian Province,China)

机构地区：[1]厦门医学院药学系,福建厦门361023 [2]厦门大学附属东南医院药剂科,福建漳州363000

出　　处：《中国药师》2023年第11期204-212,共9页China Pharmacist

基　　金：福建省中青年教师教育科研项目(JAT210494);厦门医学院大学生创新创业训练计划项目(X202112631069)。

摘　　要：目的 建立防暑清热饮指纹图谱,结合化学识别模式评价其质量。方法以3,5-O-二咖啡酰奎宁酸为参照峰,采用《中药色谱指纹图谱相似度评价系统》(2012版)建立10批次防暑清热饮的超高效液相色谱(UPLC)指纹图谱,指认共有峰并进行相似度评价,确定每个共有峰的药材归属;运用化学模式识别法中的聚类分析(CA)、主成分分析(PCA)和正交偏最小二乘法-判别分析(OPLS-DA)确定影响制剂质量的差异性成分。结果 10批次防暑清热饮指纹图谱共有31个共有峰,相似度为0.975~0.996,指认6个共有峰,分别为9号峰(绿原酸)、19号峰(木犀草素-7-O-β-D-葡萄糖苷)、21号峰(3,5-O-二咖啡酰奎宁酸)、23号峰(橙皮苷)、29号峰(蒙花苷)和31号峰(广藿香酮);CA和PCA将10批次防暑清热饮分为3类;PCA结果显示,主成分1~6的累计方差贡献率为95.947%;OPLS-DA结果显示,共有13个峰变量重要性投影值大于1,为差异性成分。结论 该方法简便、灵敏、快速,可用于防暑清热饮的质量评价。Objective To establish the fingerprint of Fangshu Qingre mixture and evaluate its quality in combination with chemical pattern recognition.Methods Using 3,5-O-dicaffeoyl quinic acid as the reference peak,ultra performance liquid chrmatography(UPLC) fingerprint of 10 batches of Fangshu Qingre mixture were established with Similarity Evaluation System for Chromatographic Fingerprint of TCM(2012 edition).The common peaks were identified and similarity evaluation were conducted,to determine the attribution of each common peak.The cluster analysis(CA),principal component analysis(PCA) and orthogonal partial least squares method-discriminant analysis(OPLS-DA) in the chemical pattern recognition method were used to determine the differential components affecting the quality of the preparations.Results There were 31 common peaks in the fingerprints of 10 batches of Fangshu Qingre mixture,and their similarities were between 0.975 and 0.996.Six common peaks were identified,including peak 9(chlorogenic acid),peak 19(luteolin-7-O-β-D-glucoside),peak 21(3,5-O-dicafeoyl quinic acid),peak 23(hesperidin),peak 29( linarin),and peak 31(patchoulone).CA and PCA divided 10 batches of Fangshu Qingre mixture into 3 categories.The results of PCA showed that the cumulative variance contribution rate of principal components 1~6 was 95.947%.The results of OPLS-DA showed that there were 13 peaks VIP greater than 1,which was the difference component.Conclusion The method is simple and sensitive,can be used to evaluate the quality of Fangshu Qingre mixture.

关 键 词：防暑清热饮 超高效液相色谱法 指纹图谱 化学模式识别 质量评价 

分 类 号：R286.0[医药卫生—中药学]