Methodology Research On The XRD Fingerprint Of Chinese Herbs And Establishing Of XRD Database Of Traditional Chinese Medicine

This paper studied the characteristic and suitability of X-ray diffraction (XRD) on the research of fingerprint of solid traditional Chinese medicine (TCM) and set up a digital resolution methodology to analyze the disperse XRD fingerprint of most Chinese herbs. On the basis of the former research, a XRD fingerprint database of more than 200 kinds of TCM in common use were established according to the standards and requests published by the International Center for Diffraction Data (ICDD).The data-signal treatment technology for the XRD pattern of most Chinese herbs, whose XRD characteristic present disperse and wide peaks, was studied and improved. Philips Company's Identify software was used to search peaks, Pseudo-Voigt function model was used to attain the digital deconvolution of peaks. Then the similarity coefficients at peaks' position and intensity were calculated and analyzed to find the quantitative difference among different patterns. This method can overcome the defect of traditional XRD analysis for TCM and also solve the problem in analyzing disperse XRD pattern of Chinese herbs.By the study of characteristic and the calculation of similarity coefficients to the XRD fingerprints of known samples (wild, planting and fake Gastrodia elata Blumes and Radix salviae miltiorrhizae from different producing areas), the signal treatment method above was evaluated. The results indicated that the XRD fingerprint pattern of G. elata exhibited multi-peak overlap pattern. The whole-spectrum outline of XRD pattern can be used to identify real G. elata from Cacalia tangutica (Frand)Hanq.Mazz. The essential difference between wild andplanting G. elata could be found in the 2Theta value from 5° to 10°and 30° to 50°. wild and planting G. elata could be effectively distinguished by the weak frequency signals attained from the numeric treatment technology, and the deconvoluted pattern and data could be used as the digital characteristics to identify wild and planting G. elata, as well as Radix salviae miltiorrhizae from different producing areas. The calculation results of similarity degree proved the feasibility of above method further.Meanwhile, the XRD database established in this paper can offer the information of XRD fingerprint pattern, characteristic peak position, relative intensity value, as well as the source, properties, chemical composition, property and flavor, function and therapy of each standard TCM sample. For the mineral, fossil and some other special TCM, which have fine crystallization, the database can also offer the composition and content analysis.Up to now, 214 kinds of standard samples have been collected into the TCM XRD database, which including the XRD patterns and the relevant information for the kinds of mineral, animal, skin, ratan, timber, blossom, leaf, fruit, the whole grass, rhizome, et al (as shown in appendix).Therefore, XRD fingerprint, as a fast and convenient test method, cooperated with signal treatment technology, has promising application prospect in the identification of the solid TCM samples. The TCM XRD fingerprint database set up in this paper, and the results of the methodology research to the disperse XRD fingerprint pattern of Chinese herbs are really helpful for the TCM researchers to carry on breed identification, true and false distinguish and quality control of TCM, and also have significant affect on the informationization and modernization of TCM.