基于化学计量学联合加权TOPSIS与灰色关联度融合模型评价不同产地接骨木药材质量  

Quality evaluation of Sambuci Williamsii Ramulus from different origins based on chemometrics combined with weighted TOPSIS and GRA fusion model

作　　者：邵莉 乔隆 康宝文 刘德军[1] 祝丽超 SHAO Li;QIAO Long;KANG Bao-wen;LIU De-jun;ZHU Li-chao(Department of Pharmacy,the Third Affiliated Hospital of Liaoning University of Traditional Chinese Medicine,Shenyang 110003,China;Department of First Orthopedics and Traumatology,Affiliated Hospital of Liaoning University of Traditional Chinese Medicine&Liaoning Traditional Chinese Medicine Hospital,Shenyang 110000,China;Department of Drug Administration,the Second Affiliated Hospital of Liaoning University of Traditional Chinese Medicine/Liaoning Traditional Chinese Medicine Institute,Shenyang 110034,China)

机构地区：[1]辽宁中医药大学附属第三医院药剂科,沈阳110003 [2]辽宁中医药大学附属医院&辽宁省中医医院骨伤一科,沈阳110000 [3]辽宁中医药大学附属第二医院辽宁省中医药研究院药品管理处,沈阳110034

出　　处：《天然产物研究与开发》2025年第3期438-449,共12页Natural Product Research and Development

基　　金：国家中医药管理局全国中药特色技术传承人才培训项目(国中医药人教函[2019]43号)。

摘　　要：建立接骨木多指标成分定量控制方法,采用化学计量学、加权逼近理想排序(technique for order preference by similarity to ideal solution,TOPSIS)法与灰色关联度(grey relational analysis,GRA)融合模型评价不同产地接骨木质量差异,提高接骨木药材的整体质量控制水平。采用Discovery C_(18)色谱柱,乙腈-0.1%磷酸为流动相梯度洗脱,采用变波长程序,建立槲皮素与没食子酸、原儿茶酸、芦丁、异槲皮苷、矢车菊素-3-O-葡萄糖苷、白桦脂酸、莫诺苷、齐墩果酸、熊果酸、蛇菰宁、落叶松树脂醇的相对校正因子,利用相对校正因子的均值测定各成分含量,对比外标法与一测多评法间差异;按《中华人民共和国药典》2020年版标准检测浸出物和总灰分。对18批接骨木各评价指标检测结果进行主成分分析(principal component analysis,PCA)和正交偏最小二乘方判别分析(orthogonal partial least squares discriminant analysis,OPLS-DA),挖掘影响产品质量的差异性标志物。建立加权TOPSIS与GRA融合模型,对不同产地接骨木药材质量进行综合评价。12个成分线性关系(R^(2)>0.9992)、仪器精密度、重复性、稳定性(24 h)均良好。准确度高,平均加样回收率(n=9)在96.95%~100.1%之间,相对标准偏差<2.0%。相对校正因子稳健性良好,2种方法差异不大。PCA结果显示18批接骨木聚为3类,OPLS-DA结果显示蛇菰宁、齐墩果酸、白桦脂酸、异槲皮苷、没食子酸和矢车菊素-3-O-葡萄糖苷是影响接骨木产品质量的差异性标志物。18批样品的相对贴近度在0.2362~0.7172之间,表明接骨木存在地域差异性。所建方法便捷经济,准确实用,可实现接骨木多指标成分快速分析;化学计量学联合加权TOPSIS与GRA融合模型可用于不同产地接骨木的整体质量评价。This study aims to establish a quantitative control method for multi-index components of Sambuci Williamsii Ramulus,and to evaluate the quality difference of Sambuci Williamsii Ramulus from different producing areas by chemometrics,weighted technique for order preference by similarity to ideal solution and grey relational analysis fusion model for improving the overall quality control level of Sambuci Williamsii Ramulus medicinal materials.The analysis was performed on a Discovery C_(18) column,with a mobile phase consisting of acetonitrile-0.1%phosphoric acid for gradient elution.The relative correction factors of quercetin and gallic acid,protocatechuic acid,rutoside,isoquercitrin,cyanidin-3-O-glucoside chloride,betulinic acid,morroniside,oleanolic acid,ursolic acid,balanophonin and lariciresinol were calculated,the content of each component was determined by the mean of the relative correction factor,and the difference between the external standard method and the quantitative analysis of multi-components by single marker method was compared.The extract and total ash were detected according to the standard of Pharmacopoeia of People′s Republic of China.principal component analysis and orthogonal partial least squares discriminant analysis were performed on the test results of each evaluation index of 18 batches of Sambuci Williamsii Ramulus to explore the differential markers affecting product quality.A weighted TOPSIS and GRA fusion model was established to comprehensively evaluate the quality of Sambuci Williamsii Ramulus from different producing areas.The linear relationship of 12 components(R^(2)>0.9992),instrument precision,repeatability and stability(24 h)were good.The average recover(n=9)was between 96.95%and 100.1%(relative standard deviation<2.0%).The relative correction factor had good robustness,and there was little difference between the two methods.The PCA results showed that 18 batches of Sambuci Williamsii Ramulus were clustered into 3 categories.The results of OPLS-DA showed that balanophonin,

关 键 词：接骨木 一测多评法 化学计量学 加权逼近理想排序法 灰色关联度分析法 质量评价 

分 类 号：R931.5[医药卫生—生药学]