Study On The Application Of X-ray Diffraction Method Combined With Chemometrics In The Identification Of Patent Chinese Medicines

Under the guidance of Traditional Chinese Medicine(TCM) theory, Chinese Patent Medicine(CPM) is made of the drug dosage forms using TCM as raw materials according to the prescription and standards. Developing of TCM, more and more CPM get the favour of people. The TCM appraisal is the effective foundation for the ensurance of quality of TCM and the Clinical medication safety. The application of X-ray diffraction method for identification of CPM can not only reflect the overall microscopic characteristics, but also provide CPM quality evaluation standard. The X-ray diffraction techniques combined with chemometric methods was applied for the analysis of CPMs and XRD fingerprint standards of eighteen kinds of CPM were established, respectively. This dissertation consists of five chapters.Chapter one:Introduction. The research progresses of X-ray diffraction techniques in recent years were summarized with 80 references. The objective and significance of this dissertation were described in brief.Chapter two:The optimization of experimental condition of XRD and study on the XRD patterns of traumatic injuries medicines. In the first part of this chapter, The experimental conditions of XRD for the analysis of CPM were optimized. The optimum experimental condition is as follows, particle size of 360 mesh, slit width of 1°, receiving slit of 0.15-0.3 mm, scanning step length of 0.02 and scanning speed of 5°/min. In the second part of this chapter, the X-ray diffraction patterns of 3 kinds of CPM belong to traumatic injuries medicine samples were determined, respectively. The consistency of the X-ray diffraction patterns of the same CPM was investigated by cluster analysis and the results show that the XRD patterns of CPM with different batch numbers from the same manufacture and different manufactures were in good agreement for Huoxue Zhitong Jiaonang and Compound calamine topical powder. The XRD patterns of Sanqi Shangyao Pian with different batch numbers from the same manufacture was in good agreement, but the difference of XRD spectrograms of Sanqi Shangyao Pian from the different manufactures was observed. The artificial neural networks (ANN) were applied to classify the 3 kinds of traumatic injuries medicines and the results show that the identification of 3 kinds of CPM can be achieved by ANN. The X-ray diffraction fingerprints of 3 kinds of traumatic injuries medicines were established by average method.Chapter three:Study on the XRD patterns of heat-clearing and detoxifying medicines. The X-ray diffraction patterns of 7 kinds of CPM belong to heat-clearing and detoxifying medicine samples were determined, respectively. The consistency of the X-ray diffraction patterns of the same CPM was investigated by cluster analysis, and the results show that the XRD spectrograms of CPM with different batch numbers from the same manufacture and different manufactures were in good agreement for fangfeng tongsheng wan?bingpeng hanpian?zi xue?bawei xilei san and qingkailing fensan pian. The XRD spectrograms of CPM with different batch numbers from the same manufacture was in good agreement for kouqiang kuiyang hanpian and xinxue pian, but the difference of XRD spectrograms of CPM from different manufactures was observed. The ANN was applied for the classification of the 7 kinds of heat-clearing and detoxifying medicines, and the results show that the identification of 7 kinds of CPM can be achieved by ANN. The X-ray diffraction fingerprints of 7 kinds of heat-clearing and detoxifying medicines were established by average method.Chapter four:Study on the XRD patterns of benefiting qi for tranquillization medicines. The X-ray diffraction patterns of 4 kinds of CPM belong to benefiting qi for tranquillization medicine samples were determined, respectively. The consistency of the X-ray diffraction patterns of the same CPM was investigated by cluster analysis, and the results show that the XRD spectrograms of CPM with different batch numbers from the same manufacture and different manufactures were in good agreement for baizi yangxin wan and cizhu wan. XRD spectrograms of CPM with different batch numbers from the same manufacture was in good agreement for anshen buxin wan and bushen yinao jiaonang, but the difference of XRD spectrograms of CPM with different manufactures was observed. The ANN was applied for the classification of 4 kinds of benefiting qi for tranquillization medicines, and the results show that the identification of 4 kinds of CPM can be achieved by ANN. The X-ray diffraction fingerprints of 4 kinds of benefiting qi for tranquillization medicines were established by average method.Chapter five:Study on the XRD patterns of digestion purge medicines. The X-ray diffraction patterns of 4 kinds of CPM belong to digestion purge medicine samples were determined, respectively. The consistency of the X-ray diffraction patterns of the same CPM was investigated by cluster analysis, and the results show that the X-ray diffraction patterns of samples from the same manufacture and different manufactures were in good agreement. The ANN was applied for the classification of 4 kinds of digestion purge medicines, and the results show that the identification of 4 kinds of CPM can be achieved by ANN. The X-ray diffraction fingerprints of 4 kinds of digestion purge medicines were established by average method.