基于多组分定量联合PCA、OPLS-DA及EW-TOPSIS分析的癣湿药水综合质量评价

Comprehensive Quality Evaluation of Xianshi Lotion Based on Multi-component Quantitative Combined with PCA,OPLS-DA and EW-TOPSIS Analysis

目的:建立癣湿药水多组分定量检测方法,通过主成分分析法(PCA)、正交偏最小二乘法-判别分析(OPLS-DA)联合熵权优劣解距离法(EW-TOPSIS)对多组分含量测定结果进行差异性分析,评价其综合质量。方法:采用高效液相色谱法,Global Chromatography C_(18)色谱柱,以乙腈-0.1%磷酸水溶液为流动相,同时测定12批癣湿药水中柠檬苦素、吴茱萸碱、吴茱萸次碱、欧前胡素、蛇床子素、异欧前胡素、升麻素、5-O-甲基维斯阿米醇苷、土荆皮丙酸、土荆皮乙酸、羟基-α-山椒素、羟基-β-山椒素、羟基-γ-山椒素含量,通过化学计量学和EW-TOPSIS对定量结果进行分析。结果:13个成分在各自范围内线性关系良好(r>0.999),平均加样回收率为96.90%~100.09%(n=9,RSD<2.0%)。PCA结果显示12批癣湿药水聚为3类;OPLS-DA结果表明蛇床子素、土荆皮乙酸、羟基-α-山椒素、升麻素、柠檬苦素和欧前胡素为癣湿药水差异特征标志物;EW-TOPSIS结果显示欧氏贴近度为0.1887~0.6920,不同企业间产品13个成分含量存在一定差异。结论:所建立方法操作便捷、结果准确,可用于癣湿药水质量的综合评价,多组分定量联合PCA、OPLS-DA及EW-TOPSIS亦可用于其他中药制剂检测及质量评价中。

Objective:To establish a multi-component quantitative detection method of Xianshi Lotion,principal component analysis(PCA),orthogonal partial least squares discriminant analysis(OPLS-DA),combined with entropy weight-technique for order preference by similarity to ideal solution(EW-TOPSIS)method was applied to analyze the differences in the results of multi-component content and evaluate its comprehensive quality.Methods:HPLC was used with Global Chromatography C_(18)column as the chromatographic column and acetonitrile-0.1%phosphoric acid as the mobile phase.The contents of limonin,evodiamine,rutaecarpine,imperatorin,osthole,isoimperatorin,cimifugin,5-Omethylvisammioside,pseudolaric acid C,pseudolaric acid B,hydroxy-α-sanshool,hydroxy-β-sanshool and hydroxy-γ-sanshool in 12 batches of Xianshi Lotion were determined.The quantitative results were analyzed by chemometrics and EWTOPSIS.Results:The 13 components had good linear relationships within their respective ranges(r>0.999),and the average recovery was 96.90%-100.09%(n=9,RSD<2.0%).The results of PCA showed that 12 batches of Xianshi Lotion were divided into 3 groups.The results of OPLS-DA showed that osthole,pseudolaric acid B,hydroxy-α-sanshool,cimifugin,limonin and imperatorin were the differential characteristic markers of Xianshi Lotion.The EW-TOPSIS analysis results showed that the Euclid approach degree Ci value was between 0.1887-0.6920.There were some differences in the content of 13 components in products between different enterprises.Conclusion:The established method is convenient and accurate,and can be used for the comprehensive evaluation of the quality of Xianshi Lotion.The multi-component quantitative combined with PCA,OPLS-DA and EW-TOPSIS methods can also be used for the detection and quality evaluation of other traditional Chinese medicine preparations.