Single Crystal Structure Analysis For Natural Compounds And Identification Of Traditional Chinese Medicine By Powder X-ray Diffraction Fourier Pattern

X-ray single crystal analysis not only has been applied to chemistry, physics, mineralogy and metallurgy, but also has been put to use in many other scientific fields, for example, molecular biology, botany, pharmaceutics, medicine, and so on. Especially, it has been taking important part in researching macromolecular structure-activity relationship in life sciences at present. While X-ray single crystal analysis was developed continually, powder X-ray diffraction analysis was also utilized in pharmaceutical analysis. Particularly, it has begun to make a figure in traditional Chinese medicine. In this thesis, there were three parts involved with single crystal analysis for natural compounds and their derivatives, identification of traditional Chinese medicine materials and traditional Chinese patent medicine with powder X-ray diffraction Fourier fingerprint pattern.It was characteristic and favorable in research and development of new drug that natural active macromolecules and small molecules were discovered from Chinese medicine and learning about their structural information was encountered firstly. Based on this objective, crystal growth experiments for 115 samples were designed and 57 suitable single crystals were obtained at last and 82 compounds structures were solved by direct method and Patterson method, which included 38 unknown structures, 21 difficult structures and 2?confirmative structures. The type of these compounds covered terpenes, alkaloids, flavones, saponins. conmarins, glycosides, metal organic compounds and inclusion compounds.Traditional Chinese medicine is a treasure of traditional culture in our country. But so far. how to objectively evaluate its quality has not been completed. To solve this puzzle, powder X-ray diffraction Fourier fingerprint pattern analysis was applied to identify traditional Chinese medicine materials. Two hundred and seventy samples(14 kinds of Chinese herbs, 9 kinds of animal medicine and one kind of mineral medicine) from various regions were analyzed. X-ray diffraction Fourier fingerprint pattern of each of them that included geometric topological graphics and characteristic marked peaks were obtained. According to geography, climate, environment, collected season, etc., the difference among these patterns was analyzed and the same kind of medicine material was classified. In addition, the principle chemical components in traditional Chinese medicine materials and their substitutes were studied. The results showed that X-ray diffraction Fourier fingerprint analysis method was able to embody the complexity and general quality of traditional Chinese material medicine and will become a new quality control and analysis method.