基于多成分定量联合化学计量学及Logistic回归模型的金枪草质量评价  

Quality evaluation of Ophioglossum thermale based on multi-component quantitative combined with chemometrics and logistic regression model

作　　者：陈伟前 洪鲜花 徐浩振 李志国 洪春霞 Chen Weiqian;Hong Xianhua;Xu Haozhen;Li Zhiguo;Hong Chunxia(Department of Pharmacy,Jinhua Municipal Central Hospital,Affiliated Jinhua Hospital,Zhejiang University School of Medicine,Jinhua,Zhejiang 321000,China;School of Pharmacy,Zhejiang Chinese Medical University,Hangzhou,Zhejiang 311402,China)

机构地区：[1]金华市中心医院浙江大学医学院附属金华医院药学部,浙江金华321000 [2]浙江中医药大学药学院,浙江杭州311402

出　　处：《中国药物与临床》2025年第5期323-331,I0001,共10页Chinese Remedies & Clinics

基　　金：浙江省中医药科技计划项目(2023ZF016)。

摘　　要：目的通过检测金枪草中主要药效成分含量及水溶性浸出物、总灰分和酸不溶性灰分,建立用于金枪草质量评价的化学计量学及Logistic回归分析方法。方法对10省36批金枪草样品进行超声提取,采用外标法检测提取物中原儿茶酸、3-O-甲基槲皮素-7-O-β-D-葡萄糖苷、3-O-甲基槲皮素-7-O-β-D-葡萄糖基-4′-O-β-D-葡萄糖苷、瓶尔小草醇、3-O-甲基槲皮素、木犀草素、槲皮素、β-谷甾醇含量,同时对水溶性浸出物、总灰分和酸不溶性灰分进行检测;采用化学识别模式及Logistic回归分析建立金枪草质量优劣评价模型,对其质量差异性进行综合评价。结果8个成分线性范围分别为0.73~18.25、5.95~148.75、3.68~92.00、1.29~32.25、2.45~61.25、0.56~14.00、0.43~10.75、0.12~3.00μg/mL,平均加样回收率为96.91%~100.10%,平均加样回收率(RSD)为0.91%~1.72%;主成分分析和正交偏最小二乘判别分析能明确区分不同产地的金枪草药材,分析提取了2个主成分,5个质量差异因子;因子分析法结果显示36批金枪草的综合得分为-1.368~1.159,其中S28综合得分最高。Logistic回归模型结果与因子分析法分析结果一致。结论主成分分析、正交偏最小二乘判别分析、因子分析和Logistic回归模型可以用于评价不同产地金枪草的质量差异,为金枪草质量控制提供参考。Objective To establish a quality evaluation method of Ophioglossum thermale base on chemometrics and logistic regression analysis by detecting the contents of main medicinal components,water solu-ble extractive,total ash and acid-insoluble ash.Methods Ultrasonic extraction was performed on 36 batches of Ophioglossum thermale from 10 provinces.External standard method was used to determine the contents of proto-catechuic acid,3-O-Methylquercetin7-O-β-D-glucopyranoside,3-O-methylquercetin 7-O-β-D-glucopyranosyl-4′-O-β-D-glucopyranoside,ophioglonol,3-O-methylquercetin,luteolin,quercetin andβ-sitosterol in the extracts.Addi-tionally,water soluble extractives,total ash and acid-insoluble ash were detected.A chemical identification model,factor analysis(FA)and logistic regression model were used to establish a quality evaluation model for Ophioglos-sum thermale,and the quality differences were thus comprehensively evaluated.Results The linear ranges for the 8 components were 0.73-18.25,5.95-148.75,3.68-92.00,1.29-32.25,2.45-61.25,0.56-14.00,0.43-10.75 and 0.12-3.00μg/mL,respectively.The average recovery rates were 96.91%-100.10%with a relative standard devia-tion(RSDs)of 0.91%-1.72%.Principal component analysis(PCA)and orthogonal partial least squares discriminant analysis(OPLS-DA)could clearly distinguish the Ophioglossum thermale from different regions.Two principal components and five quality difference factors were extracted.The results of FA showed that the comprehensive scores of the 36 batches of Ophioglossum thermale ranged from-1.368 to 1.159,among which the comprehensive score of S28 was the highest.The results of logistic regression model were consistent with those of FA.Conclu-sion PCA,OPLS-DA,FA and logistic regression model are effective tools to evaluate the quality differences of Ophioglossum thermale from different regions.These methods provide valuable reference for the quality control of Ophioglossum thermale.

关 键 词：金枪草 色谱法 高压液相 化学计量学 主成分分析 正交偏最小二乘判别分析法 质量评价 

分 类 号：R284.1[医药卫生—中药学]