矿物药阳起石XRD Fourier指纹图谱研究

Study on X-ray Diffraction Fourier Fingerprint of Mineral Chinese Medicine Actinolitum

目的:建立矿物药阳起石的X射线衍射(X-Ray Diffraction,XRD)Fourier指纹图谱,为阳起石药材的鉴定提供新方法。方法:采用粉末XRD技术对矿物药阳起石进行分析,测定其XRD Fourier指纹图谱;以指纹图谱为对照,根据不同样品XRD图谱中各特征峰相对强度,以夹角余弦法和相关系数法计算各样品XRD图谱的相似度,并做聚类分析。结果:获得10批正品、3批掺杂阳起石药材和2批伪品的XRD图谱,其中10批正品图谱几何拓扑特征基本一致;利用该10批正品阳起石样品XRD图谱得到由18个共有特征峰组成的阳起石XRD指纹图谱;相似度分析显示,15批样品中,不同正品样品XRD图谱共有峰相似度均较高(>0.98),掺杂样品相似度略低(0.85-0.97),伪品样品相似度最低(<0.2),三者相似度具有明显差异,可加以区分;聚类分析结果与相似度分析结果一致。结论:X射线衍射指纹图谱分析方法专属性强,准确可靠,可实现对矿物药阳起石的鉴别和质量评价。

This study was aimed to establish X-ray diffraction （XRD） Fourier fingerprint of mineral Chinese medicine Actinolitum, in order to provide a new method for evaluating the quality of Actinolitum. Actinolitum samples were analyzed by the technology of powder XRD. And the XRD Fourier fingerprint was determined. Accord to the fingerprints and the intensity of each characteristic peak in XRD patterns of Actinolitum, the similarity of different samples were calculated using the law of cosines and the correlation coefficient method. Systematic cluster analysis was also used for the data. The results showed that XRD patterns of 10 certified products, 3 doping products and 2 counterfeits of Actinolitum were obtained. The geometric and topological characteristics of 10 certified products were consistent. XRD fingerprint of Actinolitum from 10 certified products had 18 common characteristic peaks. The similarity analysis showed that the similarity of XRD patterns common peak of certified products were higher among 15 samples （〉 0.98）. The similarity of doping products was slightly lower （0.85-0.97）. And the counterfeits had the lowest similarity （〈 0.2）. These three had significant differences which can be distinguished. The results of cluster analysis were consistent with the similarity analysis results. It was concluded that XRD fingerprint had good specificity and feasible. It was accurate and reliable, which can be used to distinguish and evaluate Actinolitum.