| The modernization of traditional Chinese medicine (TCM) is a new tidal wave in the era with informationization, highly developed science and technology. Nowadays, people want to go back to the nature again. Although the components of TCM are extremely complex, the rapid development of modern hyphenated instruments and related chemometric methods make it possible to analyze TCM system and control its quality. The technology of chromatographic fingerprint is widely accepted by international society, and the quality control by chromatographic fingerprint is the hot spot and the trend in these years. So, this thesis aims at the practical TCM system, applys chemometric methods to the analysis of group substances in real TCM system in order to control its quality and provide useful information for the research of herbal medicine.The first fraction of this thesis is the first chapter. In this fraction, the development of TCM quality control in recent years, the application of chromatographic fingerprints, the progress of modern analytical techniques and chemometric methods are summarized.The second fraction of this thesis emphasizes on the applications of high performance liquid chromatography-diode array detector (HPLC-DAD) and correlative chemometic methods to the research of the components and chemical fingerprint analysis of Fructus Aurantii Immaturus (FAI) (chapter 2 and chapter 3). In chapter 2, the optimization of extraction and chromatographic separation conditions to establish a standard chromatographic fingerprint of FAI, and the analysis of the components and especially the bioactive compounds were discussed in detail. Meanwhile, heuristic evolving latent projection (HELP) method was employed to resolve the two-dimension data for the first time. Based on the results of Chapter 2, Chapter 3 aims at the employment of chemical partten recognition methods, say principal component analysis (PCA) and hierarchical clustering analysis (HCA), to the analysis of the 38 FAI fingprints from the entensive origins of China. The results obtained show that masses of factors such as the various resources, collection time, processing methods, storage conditions and so on, have a big influence on the contents of chemical compounds of TCM, which indicates the correlative departments to formulate test methods and content standards of those compositions, especially the bioactive ones; in the research of classification of TCM, the entire fingerprint data has strong ability to display the whole information of TCM samples than the partial data of the fingerprints, which helps to find doubtful samples. The results obtained show that the combination of chemometric methods and fingerprint technique is sciencfic and allround, which can be applied to quality control of TCM.The third fraction of this thesis discusses the application of three chemometric resolution methods to the analysis of the volatile oil compositions of drug pair (DP) P. cablin-P. frutescens (chapter 4). In this fraction, three chemometric resolution methods, namely alternative moving window factor analysis (AMWFA), HELP and selective ion analysis (SIA), were expounded and compared in particular. Meanwhile, the three methods forementioned were firstly employed to analyze the evaporable constituents of DP P. cablin-P. frutescens and its single herbs, which were detected by gas chromatography-mass spectrometry (GC-MS). In addition, temperature-programmed retention indices (PTRIs) were also used together with mass spectra for tentative identification of the essential oil constituents. The achieved results show the general use of multiple chemometric resolution methods display strong advantage in anlyzing the overlapped and embedded chromatographic peaks, and realizing fast comparative analysis between two complex systems. The comparative analysis between the DP and its single herbs shows that the number of essential components of the DP is a little less than the sum of the number of its two single herbs. The major components of the volatile oil of the DP are basicly from those of the two single herbs. The results obtained may provide a useful chemical basis for future research on the correlation between the pharmacodynamic action and chemical constituents of the DP and its single herbs, and benefit the further research of compound recipe.The fourth fraction aims at using the HELP resolution method in combination with GC-MS technique to the anlysis of Cortex magnolia officinalis (Chinese name 'houpo') (chapter 5). In this fraction, volatile compositions of different parts (stem, branch and root barks) of houpo, cultivated in China, were investigated for the first time by GC-MS in combination with HELP method. Identification of components was conducted by similarity matching to NIST mass library but also assisted by comparison of PTRIs with the data web available. A total of 90,82 and 76 volatile compounds in the essential oils of the three samples taken from the same batch forementioned were qualitatively and quantitatively determined. Among the constituents determined, there were 50 components coexisting. The three kinds of isomers (α-,β- andγ-eudesmol) in houpo essential oil have been tentatively qualified and quantified simultaneously for the first time. Significant qualitative and semi-quantitative differences and similarities were observed among the three samples through comparative analysis. The results achieved provide a scientific evidence for further exploitation of Magnolia bark and clinical medication.The fifth fraction employs chemometric methods and GC-MS technique to the analysis of five aromatic drugs for resolving dampness (chapter 6). In this fraction, comparative analysis of essential oil ingredients from Fructrs Amomi, Rhizoma Atracylodis, P. cablin, Herba Eupatorii and houpo, was firstly carried out by two chemometric methods, say AMWFA and HELP. The PTRIs were also used to aid qualitative analysis. The common constituents of the five herbs forementioned were analyzed, together with the principal compositions and the bioacitve ones. By comparison of the differences and similarities of their chemical components, the reason why they are classified into the dampness-dissipating herb medicine was explained to some extent. The results obtained will be good for further research of pharmacological action and annotation of classification of TCM.In this thesis, multi-dimensional chromatography and correlative chemometric methods were applied to the study of constituents and chromatographic fingerprints of TCM, showing their advantage and huge potential in the research of TCM. Some fundamental researches about FAI, DP P. cablin- P. frutescens, houpo and five aromatic drugs for resolving dampness were done, which will benefit the resarch of TCM. |
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