基于多组分定量联合PCA、OPLS-DA及熵权TOPSIS分析的风寒颈舒合剂质量控制研究*

作者：杨 军1，张 双2，魏谭军1，陈 飞1，王春龙1，魏 旭1，肖 成1

单位：1.达州市中西医结合医院/达州市第二人民医院，四川 达州 635000； 2.达州市食品药品检验所，四川 达州 635000

引用：引用：杨军，张双，魏谭军，陈飞，王春龙，魏旭，肖成.基于多组分定量联合PCA、OPLS-DA及熵权TOPSIS分析的风寒颈舒合剂质量控制研究[J].中医药导报,2025,31(11):56-61.

DOI：10.13862/j.cn43-1446/r.2025.11.010

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摘要：目的：比较分析16批风寒颈舒合剂中13种成分含量，明确差异化合物，为其质量评价提供方法。方法：采用高效液相色谱法，以COSMOSIL MS-Ⅱ C18柱为色谱柱，乙腈-0.2%磷酸为流动相，同时测定16批风寒颈舒合剂中3′-羟基葛根素、葛根素、3'-甲氧基葛根素、肉桂酸、桂皮醛、天麻素、巴利森苷、灵仙新苷、虎掌草皂苷D、威灵仙皂苷C、紫花前胡苷、羌活醇和异欧前胡素的含量，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（EW-TOPSIS）法对16批样品进行差异分析。结果：风寒颈舒合剂中13种成分分离度良好，线性关系良好（r≥0.999），平均加样回收率（n=9）在96.98%～100.11%之间（RSD值＜2.0%）。PCA分析显示16批样品聚为3类；OPLS-DA分析显示葛根素、异欧前胡素、桂皮醛、巴利森苷和威灵仙皂苷C是影响风寒颈舒合剂产品质量的主要潜在标志物，EW-TOPSIS模型可用于风寒颈舒合剂不同生产日期产品质量差异评价。结论：建立的风寒颈舒合剂多组分定量方法及PCA、OPLS-DA及熵权TOPSIS法科学可靠，可用于风寒颈舒合剂质量的综合评价。

关键词：风寒颈舒合剂；高效液相色谱法；化学计量学；熵权逼近理想解排序；葛根素；异欧前胡素；桂皮醛；巴利森苷；威灵仙皂苷C

Abstract：

Objective: To compare and analyze the contents of 13 components in 16 batches of Fenghan Jingshu Mixture, indentify the differential compounds and provide a method for its quality evaluation. Methods: High-performance liquid chromatography (HPLC) was used with COSMOSIL MS-Ⅱ C18 column as the chromatographic column and acetonitrile-0.2% phosphoric acid as the mobile phase. The contents of 3'-hydroxy puerarin, puerarin, 3'-methoxypuerarin, cinnamic acid, cinnamaldehyde, gastrodin, paris saponin, clematichinenoside AR, huzhangoside D, clematichinenoside C, nodakenin, notopterol and isoimperatorin in 16 batches of Fenghan Jingshu Mixture were determined. The differences of 16 batches of samples were analyzed by principal component analysis (PCA), orthogonal partial least squares-discriminant analysis (OPLS-DA) and entropy weight technique for order preferenceby similarity to ideal solution (EW-TOPSIS). Results: Good resolution of 13 constituents of Fenghan Jingshu Mixture was obtained. The results showed good linear relationships (r≥0.999), and the average recovery rate (n=9) was 96.98%-100.11% (RSD＜2.0%). PCA analysis showed that 16 batches of samples were clustered into 3 categories. OPLS-DA analysis showed that puerarin, isoimperatorin, cinnamaldehyde, paris saponin and clematissaponin C were the main potential markers affecting the product quality of Fenghan Jingshu Mixture. The EW-TOPSIS model could be used to evaluate the product quality difference of Fenghan Jingshu Mixture at different production dates. Conclusion: The established multi-component quantitative method for Fenghan Jingshu Mixture, combined with PCA, OPLS-DA, and EW-TOPSIS, is scientifically reliable and can be used for the comprehensive quality assessment of the formulation.

Key words：enghan Jingshu Mixture; high-performance liquid chromatography; chemometrics; entropy weight technique for order preferenceby similarity to ideal solution; puerarin; isoimperatorin; cinnamaldehyde; paris saponin; clematichinenoside C

发布时间：2025-11-29

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