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

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 C₁₈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0.188 7~0.692 0，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。

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

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 C₁₈ 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-O-methylvisammioside, 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 EW-TOPSIS.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 C_i value was between 0.188 7-0.692 0. 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.