矿物药禹余粮X射线衍射Fourier指纹图谱研究  

X-ray diffraction Fourier fingerprint of Chinese mineral drug Limonitum

作　　者：杨欢[1] 刘圣金[1] 吴德康[1] 徐春祥[2] 林瑞超[3] 田金改[3] 王瑞[1] 吴露婷 

机构地区：[1]南京中医药大学药学院,南京210023 [2]江苏省食品药品检验所,南京210008 [3]中国食品药品检定研究院,北京100050

出　　处：《药物分析杂志》2014年第12期2171-2180,共10页Chinese Journal of Pharmaceutical Analysis

基　　金：<中国药典>2015版一部标准研究课题-矿物药专属性检测方法与标准制定(2013);江苏省高校优势学科建设工程资助项目(二期);国家自然科学基金项目(81303178);江苏省自然基金项目(BK20130957)资助

摘　　要：目的：为更好地控制禹余粮的质量,对禹余粮的矿物组成进行分析并建立其X射线衍射（XRD）Fourier指纹图谱的评价方法。方法：采用粉末X射线衍射技术对禹余粮样品进行指纹图谱分析,同时采用Mid Jade 5进行物相分析,采用SPSS 16.0软件做模糊聚类法分析、主成分分析和相似度评价。结果：物相分析结果显示禹余粮样品主要成分为针铁矿和石英,且大多数样品含有高岭土。建立了以13个共有峰为特征指纹信息的15批禹余粮的XRD Fourier指纹图谱分析方法;所分析样品XRD Fourier指纹图谱的相对峰强（I/I0）的相似度均在0.9771-0.9995之间。部分样品XRD Fourier图谱的峰数目和峰强存在一定差异。结论：XRD Fourier指纹谱分析法可用于禹余粮药材的鉴定与分析。Objective ： To analyze the mineral composition of Limonitum, and establish the Fourier transform X - ray diffraction （XRD） fingerprint of Limonitum for a better quality control. Methods： The technology of powder XRD was used for analysis of Limonitum and the XRD Fourier fingerprints were determined. The Mid Jade 5 was used for phase analysis. The data were analyzed by fuzzy cluster and principal component similarity evaluation with the software SPSS 16. 0 to compare the similarity of the samples. Results： The result of phase analysis showed that quartz and goethite were the main components and most samples of Limonitum contained kaolinite. XRD fingerprint containing thirteen common peaks for fifteen batches of Limonitum was set, the similarity coefficients for relative peak strength ranged from 0. 9771 to 0. 9995. There was difference in peak number and peak intensity in XRD Fourier fingerprints for a few samples. Conclusion： The XRD fingerprint could be used for the appraisal and the analysis of Limonitum.

关 键 词：矿物药 禹余粮 X射线衍射 物相分析 指纹图谱 主成分分析 

分 类 号：R917[医药卫生—药物分析学]