| The development and application of chemometrics multivariate curve resolution and chemical pattern recognition in recent years are reviewed in this article. Moreover, multivariate curve resolution methods are applied in resolution of the two-dimensional data obtained by high performance liquid chromatography with diode array detection (HPLC-DAD), and pattern recognition methods are employed to establish and resolve the fingerprints of traditional Chinese medicine, which could be used for the quality control of Chinese medicine.In the first chapter, the development and application of multivariate curve resolution and chemical pattern recognition are summarized. A review on research status and development foreground was arisen, which the conception, characteristics, research content and its importance for quality control of TCM were introduced. In addition, the pattern recognition methods applied for fingerprint analysis of TCM were also specially discussed.In the second chapter, high performance liquid chromatography was adopted to develop the fingerprint of Huanglianshangqing Tablets. In this study the technique of projection discriminant analysis based on principal component analysis (PCA) was applied to investigate the experimental data, and back-propagation network (BPN) was applied to predict the attribution of unknown samples. The results based on principal component analysis showed that there were obvious differences among the Huanglianshangqing Tablets produced by different manufacturers, which established a method to distinguish Huanglianshangqing Tablets produced by different manufacturers, and the method developed can be effectively used to control the quality of traditional Chinese medicine Huanglianshangqing Tablets. Besides, the predicted results based on optimized back-propagation network can be correctly used to predict the attribution of unknown samples.In the third chapter, chromatographic fingerprints of 46 Eucommia Bark samples were obtained by HPLC-DAD. These samples were collected from eight provinces in China, with different geographical locations, and climates. Seven common HPLC peaks that could be used for fingerprinting this common popular traditional Chinese medicine were found, and six were identified as substituted resinols (4 compounds), geniposidic acid and chlorogenic acid by HPLC-MS. Principal components analysis (PCA) indicated that samples from the Sichuan, Hubei, Shanxi and Anhui - the SHSA provinces, clustered together. The other objects from the four provinces, Guizhou, Jiangxi, Gansu and Henan, were discriminated and widely scattered on the biplot in four province clusters. Thus, such results suggested that the composition of the Eucommia Bark samples was dependent on their geographic location and environment. These observations from the PCA biplot were supported by hierarchical cluster analysis, and indicated that Eucommia Bark preparations may be successfully compared with the use of the HPLC responses from the seven marker compounds and chemometrics methods such as PCA and the complementary HCA.In the fourth chapter, Chinese medicine is studied by use of the combined data derived from HPLC-DAD and inductively coupled plasma-optical emission spectrometry (ICP-OES) to establish the two-way fingerprint. With the application of principal component analysis (PCA), it was found that, HPLC fingerprints could be used to explain the processed methods of Atractylis chinensis DC, and the ICP-OES metal ions data could be used to explain its origins. Moreover, from the principal component projection plot of the two-way data of 51 Atractylis chinensis DC. samples, not only the four main classes based on processed methods could be classified, but also sub-classes based on origins could also be observed sequentially. The proposed method could be successfully applied to classify the Atractylis chinensis DC. samples into different groups that correlated to its properties, and it could be used for the quality control of Atractylis chinensis DC. effectively. Moreover, three supervised pattern recognition algorithms were applied to process the data, and similar results could be obtained.In the fifth chapter, Ofloxacin, Enoxacin and Pefloxacin Mesylate in feedstuff were determined by HPLC-DAD. During the determination process, it was founded that the results were affected by the over-lapped chromatography peaks, therefore, classic least-squares (CLS) and heuristic evolving latent projection (HELP) techniques were applied to resolve the over-lapped chromatography peaks based on the slight difference of their spectrum in the range 320-380nm of the two-dimensional HPLC-DAD datum. The results obtained show that CLS and HELP can be applied in resolution of seriously overlapped chromatographic peaks of multicomponent system. Furthermore, the determination of three antibiotic feed additives can be regarded as a reference method for quality control. |
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