矿物类中药青礞石的XRD Fourier指纹图谱研究

X-ray diffraction Fourier fingerprint of mineral Chinese medicine Chloriti Lapis

目的:建立青礞石XRD Fourier指纹图谱评价方法,并比较炮制前后指纹图谱的变化。方法:采用粉末X射线衍射技术对青礞石进行分析,并作模糊聚类法分析和相似度评价。结果:建立了以10个共有峰为特征指纹信息的14批青礞石的XRD Fourier指纹图谱分析方法;所分析样品XRD Fourier指纹图谱的10个特征峰晶格间距d()及峰位2θ的均数相关系数、中位数相关系数、均数相似度(夹角余弦值)、中位数相似度(夹角余弦值)均在0.999 9以上。相对强度值I/IO(%)的相关系数均大于0.95,均数相似度(夹角余弦值)、中位数相似度(夹角余弦值)均大于0.97;少数样品XRD Fourier图谱的峰数目和峰强有一定差异;生品与煅制品的XRD Fourier图谱有明显差异。结论:XRD Fourier指纹谱分析法可用于青礞石药材的鉴定与分析。

The technology of powder X-ray diffraction（XRD） was used for analysis Chloriti Lapis and the XRD Fourier fingerprints were established.The dates were analyzed by fuzzy cluster and fingerprint similarity evaluation software to compare the similarity of samples.XRD fingerprint with 10 common peaks of 14 batches of Chloriti Lapis were established.The average,median coefficients of crystal lattice spacing d（）,peak position 2θ,relative intensity value I/IO（%） were all more than 0.95.And similarity（angle cosine value） were all more than 0.97.There were small number samples differed from others.And obvious differences between the pre-and post-processing samples.This paper shows the powder XRD Fourier fingerprint can be used for appraisal and study of the Chloriti Lapis.