多指标定量联合PCA、OPLS-DA及熵权TOPSIS分析的不同产地瓦松质量差异评价*

作者：谈 竞1，周莉莉1，蔡宏亮2，魏 丹1

单位：1.中国人民解放军联勤保障部队第九〇一医院，安徽 合肥 230031； 2.安徽医科大学药学院，安徽 合肥 230032

引用：引用：谈竞，周莉莉，蔡宏亮，魏丹.多指标定量联合PCA、OPLS-DA及熵权TOPSIS分析的不同产地瓦松质量差异评价[J].中医药导报,2025,31(12):98-105.

DOI：10.13862/j.cn43-1446/r.2025.12.015

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摘要：目的：采用主成分分析（PCA）、正交偏最小二乘法-判别分析（OPLS-DA）及熵权逼近理想解排序（TOPSIS）法多指标综合评价瓦松质量。方法：以瓦松药材中没食子酸、原儿茶酸、对羟基苯甲酸、异香草酸、木犀草苷、异槲皮苷、紫云英苷、槲皮素、草质素、山柰酚、齐墩果酸、木栓酮、蒲公英赛酮、胡萝卜苷、β-谷甾醇、醇溶性浸出物含量为质量评价指标，采用PCA和OPLS-DA法对18批瓦松进行分组，筛选差异质量标志物；以熵权法计算各指标权重，采用TOPSIS法构建瓦松综合质量评价模型。结果：不同产地瓦松中16个指标成分含量差异较大；OPLS-DA分析可将18批瓦松按照不同产地分为3类，筛选出山柰酚、槲皮素、没食子酸、β-谷甾醇、木犀草苷、原儿茶酸和齐墩果酸为差异质量标志物；熵权TOPSIS法结果显示18批样品综合质量评价指标的相对接近度为0.248 7~0.668 2；样品S11和S8排序靠前。结论：不同产地瓦松药材质量存在差异。PCA、OPLS-DA及熵权TOPSIS法多指标的综合分析可用于瓦松的质量差异评价。

关键词：瓦松；高效液相色谱法；化学计量学；熵权TOPSIS法；综合评价

Abstract：

Objective: To evaluate the quality difference of Orostachyis fimbriatae herba based on principal component analysis (PCA), orthogonal partial least squares-discriminant analysis (OPLS-DA) and entropy weight technique for order preference by similarity to ideal solution (TOPSIS). Methods: The contents of 16 quality evaluation indexes, including gallic acid, protocatechuic acid, 4-hydroxybenzoic acid, isovanillic acid, luteolin-7-O-glucoside, isoquercitrin, astragalin, quercetin, herbacetin, kaempferol, oleanolic acid, friedelin, taraxerone, eleutheroside A, β-sitosterol and alcohol-soluble extractive were selected. PCA and OPLS-DA methods were used to group 18 batches of Orostachyis fimbriatae herba, and the differential quality markers were screened. The entropy weight method was used to calculate the weight of each index, and the TOPSIS method was used to construct the comprehensive quality evaluation model of Orostachyis fimbriatae herba. Results: The contents of 16 indexes in Orostachyis fimbriatae herba from different producing areas were quite different. OPLS-DA analysis could basically divide 18 batches of Orostachyis fimbriatae herba into three categories according to different producing areas. Kaempferol, quercetin, gallic acid, β-sitosterol, luteolin-7-O-glucoside, protocatechuic acid and oleanolic acid were selected as quality difference markers. The results of entropy weight TOPSIS method showed that the relative proximity of the comprehensive quality evaluation indexes of 18 batches of samples ranged from 0.248  7 to 0.668 2. The S11 and S8 samples were sorted in the front. Conclusion: There are differences in the quality of Orostachyis fimbriatae herba from different producing areas. The comprehensive analysis of PCA, OPLS-DA and entropy weight TOPSIS can be used to evaluate the quality difference of Orostachyis fimbriatae herba.

Key words：Orostachyis fimbriatae herba; high performance liquid chromatography; chemometrics; entropy weight TOPSIS; comprehensive evaluation

发布时间：2025-12-31

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