Font Size: a A A

The Application Of Chemometrics In Infrared Fingerprints Of Chinese Patent Medicines

Posted on:2013-07-16Degree:MasterType:Thesis
Country:ChinaCandidate:W LinFull Text:PDF
GTID:2334330488970184Subject:Analytical Chemistry
Abstract/Summary:PDF Full Text Request
As one of the treasures of the Chinese nation, Chinese medicine has a long history. Chinese Patent Medicine is an important part of the Chinese medicine treasure-house of the motherland, and plays an important role in the medical career. Chinese Patent Medicine is a very complex chemical system. Because of the urgent need of modernization and internationalization, modern analytical technique must be used for the in-depth and systematic research of Chinese medicine. Twenty-three kinds of Chinese Patent Medicines were studied by infrared spectroscopy combined with chemometrics methods, and infrared fingerprint library of twenty-three kinds of Chinese Patent Medicines were established in this thesis. This dissertation consists of seven chapters.Chapter one:Introduction. The research progresses of infrared spectroscopy combined with chemometrics in Chinese Patent Medicine in recent years were summarized with 84 references. The objective and significance of this dissertation were described in brief.Chapter two:The optimization of experimental conditions. The experimental conditions of infrared spectroscopy for the analysis of Chinese Patent Medicine were optimized and the optimum experimental conditions were as follows, particle size of 360 mesh, mixing ratio with KBr of 6:100, quality of 95 milligram, tablet pressing time of 10s, tablet pressing pressure of 70KN.Chapter three:Study on the infrared fingerprints of cold inflammatory medicines. The infrared spectrograms of 10 kinds of Chinese Patent Medicine belong to cold inflammatory medicine samples were determined, respectively. The consistency of the infrared spectrograms of the same Chinese Patent Medicine was investigated by cluster analysis, and the results show that the infrared spectrograms of samples from the same manufacture and different manufactures were in good agreement. The Artificial Neural Network (ANN) was applied to classify the 10 kinds of cold inflammatory medicines, and the results show that the identification of 10 kinds of Chinese Patent Medicine can be achieved by ANN. The infrared fingerprints of 10 kinds of cold inflammatory medicines were established by average method.Chapter four:Study on the infrared fingerprints of cardiovascular and cerebrovascular medicine. The infrared spectrograms of 4 kinds of Chinese Patent Medicine belong to cardiovascular and cerebrovascular medicine samples were determined, respectively. The consistency of the infrared spectrograms of the same Chinese Patent Medicine was investigated by cluster analysis, and the results show that the infrared spectrograms of samples from the same manufacture and different manufactures were in good agreement. The Artificial Neural Network was applied to classify the 4 kinds of cardiovascular and cerebrovascular medicines, and the results show that the identification of 4 kinds of Chinese Patent Medicine can be achieved by ANN. The infrared fingerprints of 4 kinds of cardiovascular and cerebrovascular medicines were established by average method.Chapter five:Study on the infrared fingerprints of fracture contusion medicines. The infrared spectrograms of 6 kinds of Chinese Patent Medicine belong to fracture contusion medicine samples were determined, respectively. The consistency of the infrared spectrograms of the same Chinese Patent Medicine was investigated by cluster analysis, and the results show that the infrared spectrograms of samples from the same manufacture and different manufactures were in good agreement. The Artificial Neural Network was applied to classify the 6 kinds of fracture contusion medicines and the results show that the identification of 6 kinds of Chinese Patent Medicine can be achieved by ANN. The infrared fingerprints of 6 kinds of fracture contusion medicines were established by average method.Chapter six:Study on the infrared fingerprints of nourishing tranquilizing medicines. The infrared spectrograms of 3 kinds of Chinese Patent Medicine belong to nourishing tranquilizing medicines samples were determined, respectively. The consistency of the infrared spectrograms of the same Chinese Patent Medicine was investigated by cluster analysis, and the results show that the infrared spectrograms of samples from the same manufacture and different manufactures were in good agreement. The Artificial Neural Network was applied to classify the 3 kinds of nourishing tranquilizing medicines and the results show that the identification of 3 kinds of Chinese Patent Medicine can be achieved by ANN. The infrared fingerprints of 3 kinds of nourishing tranquilizing medicines were established by average method.Chapter seven:The establishment and application of infrared fingerprint library ofChinese Patent Medicine. The infrared fingerprint library of Chinese Patent Medicine was established using OMNIC data processing software. The infrared fingerprints of 23 kinds of Chinese Patent Medicine recorded as a standard pattern in the spectral database. The infrared spectrograms of all samples were searched within the scope of the full spectrum by the search function of the software. The matching results show that the qualitative identification of 23 kinds of Chinese Patent Medicine can be achieved using the newly established infrared fingerprint library of Chinese Patent Medicine.
Keywords/Search Tags:Infrared spectroscopy, Chinese patent medicine, Cluster analysis, Artificial neural network, Search
PDF Full Text Request
Related items