Study On The Fingerprint Sulfate Mineral Medicines By FTIR

The mineral Chinese medicine is a summary of the medicine experience of the Traditional Chinese Medicine(TCM), which has a very long history. The mineral medicine is one of the important Traditional Chinese Medicine, it has rich and extensive resources, however, compared with the botanical drug, the study on the mineral medicine is insufficient and the research has moved more slowly, which means it is time to established a convenient, stable, sensitive and accurate analytical method. In recent years, the fourier transform infrared spectroscopy(FTIR) caught attention due to its advantages of convenient, pollutionfree for simultaneous determination of multiponents, such as in the authentic identification, quantitative analysis and quality control. The study combinations of the original and derivative,and at the same time, with the pattern recognition, which become a powerful research and practical instrument.Object: To get the difference of six kinds of the sulfate mineral medicines by FTIR which are collected from market, and established the fingerprint of Gypsum Fibrosum and Natrii Sulfas by FTIR preliminary, and give a synthetica, overall evaluation.Method:1. The optimal reaction conditions are found by screening test, including the volume of the simples and the diluent, scan times, diaphragm aperture and resolution.2. The six kinds of the sulfate mineral medicines such as Gypsum Fibrosum, Natrii Sulfas, Alum, Gypsum Ustum, Natrii Sulfas Exsiccatus and Calcined Alum, which are collected on the market and determination by FTIR. To find the difference between the original, first derivative and second derivative. And after the statistics of the study is obtained, verify the distinction unites with the clustering analysis.3. With the use of FTIR, 30 batches of Gypsum Fibrosum and 28 batches of Natrii Sulfas from different production areas are analyzed, the angle cosine value,correlation coefficientand the average value of the similarity of transmittances of common peaks which are calculated to get similarity of fingerprint, combined the clustering analysis and principal component analysis to evaluation the process of the fingerprint.Result:1. It was found in the test of the method, which provided the efficiently a optimum of all the experimental conditions as follows: the dry simples and KBr, which weigh was respectively the 10 mg and the 150 mg, the scanning determination within the scope of 4000~400 cm-1, scanning times 16 at a resolution of 4 cm-1,and the aperture is 6 mm.2. Between the 4000~400 cm-1, infrared spectrum has similarities, however in the scope of the 1115 cm-1±and 669~426 cm-1 which belong to the H2 O and SO4 by the original, first derivative and second derivative. With the help of first derivative and vector normalization in the clustering analysis to achieve the clustering results:the Alum and Calcined Alum, Gypsum Fibrosum and Gypsum Ustum, Natrii Sulfas and Natrii Sulfas Exsiccatus.3. In 4000~400cm-1, The angle cosine value of 30 batches of Gypsum Fibrosum is above the 0.9400, the correlation coefficient is more then 0.9700,and the average value of the similarity is 0.9700 above. The considerable characteristic bands above 3549, 3404, 2240, 2118, 1687, 1622, 1115, 669, 602, 462 and 422 cm-1.Uses principla component analysis and cluster analysis and validation of method to evaluate and classify successfully. By compared the derivative spectroscopy to indentity the Ca SO4 and Gypsum Fibrosum in FTIR, there are obvious difference in the spike, peak number and transmittance.4. The correlation coefficient of Natrii Sulfas the is above the 0.8900, angle cosine value is more then 0.9114, the average of the similarity is 0.9186 at least, and there are 10 common peaks in the fingerprint by FTIR, which is 3550,3477,3416,1637,1618,1112,637,616,478 and 448 cm-1respectively.A synthetic method of principal component analysis and cluster analysis is presented to evaluate and classify successfully. By compared spectroscopy between the original and product of the Natrii Sulfas and derivative spectroscopy between the Natrii Sulfas, Natrii Sulfas Exsiccatus and Na SO4, and compared between Natrii Sulfas, Sodium Sulphate and Glaubers’ s salt, there also are difference to distinguish.