UPLC/Q-TOF-MS特征图谱结合化学计量学评价秋海棠属5种药材质量  

Quality Evaluation of Five Species of Begonia Medicinal Materials Based on Combinative Methods of UPLC/Q-TOF-MS Specific Chromatogram and Chemometrics

作　　者：郑丽慧 夏俊锋 黄蕾[3] 胡敏 肖凌 汪波 徐玲 Zheng Lihui;Xia Junfeng;Huang Lei;Hu Min;Xiao Ling;Wang Bo;Xu Ling(Hubei Institute for Drug Control,NMPA Key Laboratory of Quality Control of Chinese Medicine Hubei Engineering Research Center for Drug Quality Control,Wuhan 430075,China;Public Inspection and Testing Center of Xiantao,Xiantao 433000,China;Wuhan Integrated TCM&Western Medicine Hospital,Wuhan 430022,China)

机构地区：[1]湖北省药品监督检验研究院,国家药品监督管理局中药质量控制重点实验室,湖北省药品质量检测与控制工程技术研究中心,武汉430075 [2]仙桃市公共检验检测中心,仙桃433000 [3]武汉市第一医院,武汉430022

出　　处：《中国药事》2024年第4期439-451,共13页Chinese Pharmaceutical Affairs

摘　　要：目的:采用UPLC/Q-TOF-MS技术结合化学计量学方法综合评价秋海棠、中华秋海棠、掌裂叶秋海棠、长柄秋海棠和柔毛秋海棠的质量。方法:采用ACQUITY UPLC HSS T3 C_(18)(2.1 mm×100mm,1.8μm)色谱柱,以乙腈-0.1%甲酸为流动相进行梯度洗脱,柱温30℃,流速0.2 mL·min^(-1),检测波长254 nm;采用电喷雾离子源(ESI)正负离子同时扫描,以MSE方式进行采集,建立秋海棠属5种药材UPLC/Q-TOF-MS特征图谱,并对它们各自共有峰进行确认和归属,运用主成分分析法(PCA)和偏最小二乘判别分析法(PLS-DA)对数据进行统计分析。结果:筛选出秋海棠、中华秋海棠、掌裂叶秋海棠、长柄秋海棠和柔毛秋海棠药材各自的共有特征峰分别为15、13、12、12、15个,且共鉴定出29个化合物;秋海棠属5种药材质量存在较大差异,其中,柔毛秋海棠与其他4种药材的化学成分差异显著,秋海棠与中华秋海棠药材之间化学成分差异较小,掌裂叶秋海棠与长柄秋海棠药材之间化学成分差异较小;还筛选出对该5种药材区分贡献显著的8个化学标志物,原花青素B2、表儿茶素、葫芦素D或其同分异构体、葫芦素D葡萄糖苷和葫芦素B为潜在鉴别特征性化学标志物,原花青素B1、儿茶素和芦丁为潜在含量差异性化学标志物。结论:该方法直观、准确地反映了此5种药材的整体质量及化学成分差异情况,并对于建立科学、合理的秋海棠属药材质量评价方法和安全用药具有重要的指导意义,也为其整体质量评价和控制及标准修订提供参考。Objective:To evaluate comprehensively the quality of Begonia evasiana,Begonia sinensis,Begonia pedatifida,Begonia smithiana and Begonia henryi by using UPLC-Q-TOF-MS technology conbined with chemometric.Methods:Chromatographic separations were conducted on a ACQUITY UPLC HSS T3 C_(18) column(2.1 mm×100 mm,1.8μm)with acetonitrile-0.1%aqueous formic acid as mobile phase by gradient elution.The column temperature was 30℃,the flow rate was 0.2 mL-min^(-1),and the detection wavelength was 254 nm.The positive and negative ions were scanned simultaneously by the electric spray ion source(ESI),and collected in MSE mode.The UPLC/Q-TOF-MS characteristic maps of five kinds of Begonia medicinal materials were established,their common peaks were confirmed and assigned,principal component analysis(PCA)and partial least squares discriminant analysis(PLS-DA)were used to analyze the data statistically.Results:The common characteristic peaks were 15,13,12,12 and 15 for Begonia evasiana,Begonia sinensis,Begonia pedatifida,Begonia smithiana and Begonia henryi,respectively,and a total of 29 compounds were identified.There were significant diferences in the quality of the five medicinal herbs of the genus Begonia,among which the chemical composition differences between the Begonia henryi and the other four medicinal herbs were significant.The chemical composition differences between the Begonia evasiana and Begonia sinensis were relatively small,and the chemical composition differences between the Begonia pedatifida and Begonia smithiana were relatively small.8 chemical markers that contributed significantly to the differentiation of the five medicinal materials were also screened,including proanthocyanidin B2,epicatechin,cucurbitacin D or its isomers,cucurbitacin D glucoside,and cucurbitacin B as potential identification characteristic chemical markers,while proanthocyanidin Bl,catechins,and rutin were potential content differential chemical markers.Conclusion:The method directly and accurately reflects the overall quality and ch

关 键 词：秋海棠属药材 UPLC/Q-TOF-MS特征图谱 共有特征峰 主成分分析 偏最小二乘判别分析 

分 类 号：R917[医药卫生—药物分析学]