基于1HNMR对泽泻药材地缘区分和质量评价的代谢组学研究罗尚华1.DOC

基于1H NMR对泽泻药材地缘区分和质量评价的代谢组学研究 罗尚华1,吴四维2,范 刚1,张 艺1,唐 策1 (611137成都, 成都中医药大学民族医药学院1; 400067重庆,重庆工商大学环境与生物工程学院2） [摘要] 目的 用基于1H NMR的代谢组学方法，建立泽泻的氢核磁共振指纹图谱，确定不同产地泽泻药材的整体代谢物差异和质量评价。方法 用核磁共振仪测定不同产地的泽泻样品，获得1H NMR谱图，所得自由衰减信号导入MestReNova软件进行分段积分、数据归一化后用偏最小二乘法判别分析(PLS-DA)进行模式识别。结果 建立了泽泻药材的1H NMR指纹图谱，并鉴定了4个主要代谢成分：23-乙酰泽泻醇B、蔗糖、β-半乳糖和丙氨酸；PLS-DA分析结果显示4个不同产地泽泻药材能够明显分开；以23-乙酰泽泻醇B的相对含量为质量评价指标，经1H NMR定量分析，发现四川产地的泽泻药材质量最优，且与福建产地的泽泻药材有统计学差异（P0.05）。 结论 用基于1H NMR的代谢组学方法能有效区分不同产地的泽泻药材和进行质量评价，该方法高效快速、操作简便、无损检测、无需标准品绘制标准曲线，比常规的HPLC反映出更加全面综合的化学信息，且谱图中信号的相对强弱还能反映样品中各组分的相对含量。 [关键词] 泽泻；核磁共振光谱；偏最小二乘法判别分析（PLS-DA）；地缘区分； 质量评价 [中图法分类号] [文献标志码]A [基金项目]四川省科技厅支撑计划（2008SZ0045）；四川高校科研创新团队建设计（11TD004） [通信作者]吴四维，E-mail:wsw198@126.com 张 艺，E-mail:9006zmy@ 1H NMR-Based Metabonomics for Quality Evaluation and Geographical Origin Discrimination of Rhizoma Alismatis Luo Shanghua 1, Wu Siwei 2, Fan Gang1, Zhang Yi 1, Tang Ce1 （1College of Ethnic Medicine, Chengdu University of Traditional Chinese Medicine, Chengdu, Sichuan Province, 611137；2School of Environmental and biological engineering，Chongqing Technology and Business University; Chongqing, 400067, China） [Abstract]Objective Establish 1H NMR fingerprint of Alisma orientalis(Sam.)Juzep., reveal the holistic metabolite difference of samples from different geographical origin and conduct quality evaluation by 1H NMR-based metabonomics . Method Obtain 1H NMR spectra of the samples from different origin by NMR spectrometer . The obtained free induction decay (FID) signal will be imported into MestReNova software and divide to segment. The data will be normalized and processed by partial least squares discriminant analysis to perform pattern recognition. Result 1H NMR fingerprint of Alisma orientalis(Sam.)Juzep. were established. Four primary metabolites were identified as 23-O-Acetylalisol B, sucrose, β-galactose, and alanine. It is found that the sample collecting from Sichuan was the best quality through quantitive 1H NMR analyses of 23-O-Acetylali