基于偏最小二乘法判别分析(PLS-DA)的补骨脂炮制前、后组成二神丸提取物的指纹图谱研究和指标成分的定量分析  

Fingerprint Based on PLS-DA and Quantitative Analysis of Potential Index Components in Ershenwan Extracts Containing Unprepared and Prepared Psoraleae Fructus

作　　者：熊瑞[1] 郑凯旋[1] 李艺丹[1] 张婷婷[1] 李文兵 胡昌江[1,3] XIONG Rui;ZHENG Kai-xuan;LI Yi-dan;ZHANG Ting-ting;LI Wen-bing;HU Chang-jiang(School of Pharmacy,Chengdu University of Traditional Chinese Medicine,Chengdu 611137,China;Sichuan Neo-Green Pharma- ceutical Technology Development Co. , Ltd. , Chengdu 610081, China;Key Laboratory of Chinese Medicine Formulations Particle Mass and Clinical Evaluation, Chengdu 611900, China)

机构地区：[1]成都中医药大学药学院,四川成都611137 [2]四川新绿色药业科技发展股份有限公司,四川成都610081 [3]国家中医药管理局"中药配方颗粒质量与疗效评价"重点研究室,四川成都611900

出　　处：《中药材》2017年第11期2563-2568,共6页Journal of Chinese Medicinal Materials

基　　金：国家基础科学人才培养基金项目(J13100340-17);国家自然科学基金面上项目(81274035)

摘　　要：目的:通过对已建立的二神丸提取物指纹图谱进行化学计量学分析,并结合含量测定,为补骨脂炮制前、后组成二神丸提取物的鉴别和有效质量控制提供参考。方法:运用偏最小二乘法判别分析(PLS-DA)对已建立的二神丸提取物指纹图谱建立PLS-DA模型,并利用高效液相色谱(HPLC)对指标成分进行定性鉴定和定量测定。结果:建立的PLS-DA模型可靠,预测能力良好。统计结果显示补骨脂炮制前、后分别组成二神丸的石油醚提取物可明显区分,并揭示了对此区分贡献最大的16个潜在标志性色谱峰,结合标准物质定性鉴定了6个色谱峰,其中4个为贡献最大的潜在标志性指标成分。同时测定了该6个指标成分在10批炮制前和10批炮制后提取物的含量,其中补骨脂素、异补骨脂素、甲基丁香酚和甲基异丁香酚炮制后含量升高,去氢二异丁香酚和补骨脂酚炮制后含量降低。结论:该方法从定性和定量两方面控制炮制前、后二神丸提取物的内在质量,更全面地反映了二神丸提取物的化学成分信息及炮制前后的差异性,为提取物质量评价和控制提供了一个有效的参考。Objective： To identify Ershenwan petroleum ether extracts which containing the Psoraleae Fructus before and after preparing,and to evaluate the quality of extracts,through combining Chemometrics with fingerprint established. Methods： Discriminant analysis of partial least squares（PLS-DA） with fingerprints was carried out,and high performance liquid chromatography（HPLC） was adopt for qualitative identification and quantitative analysis. Results： The PLS-DA model was reliable and well predicted. The statistics had shown that Er shenwan extracts and prepared extracts could be distinguished obviously,with 16 potential differentiated chromatographic peaks. Moreover,six components were identified with standard substance,and four of them were found to be the biggest contributors. Meanwhile the method of determination content was established and variation tendency was revealed based on ten batches of medicinal materials before and after preparing,including four components increasing and two decreasing. Conclusion： The method has comprehensively reflected information about chemical components and the differences between the crude and prepared,which can be utilized to control inner quality of Er shenwan extracts from qualitative and quantitative analysis,furthermore providing reference for extract quality evaluation and control.

关 键 词：偏最小二乘法判别分析 补骨脂 二神丸 炮制 指纹图谱 定量分析 

分 类 号：R283.1[医药卫生—中药学]