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Study On The Methods Of~1H-NMR And Ftir Spectroscopy Combined With Chemometrics Application To Traditional Chinese Medicine Identification

Posted on:2014-11-21Degree:MasterType:Thesis
Country:ChinaCandidate:P YuFull Text:PDF
GTID:2251330425951892Subject:Organic Chemistry
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Hydrogen Nuclear Magnetic Resonance is a kind of analysis method which had been developed a lot in recent decades. As a borderline science, Nuclear magnetic resonance hydrogen spectrum technology had been widely used in physical, chemical, biological, medical and many other fields of national economy such as agriculture and industry. Its research contents include the determination of compound structure, plants identification, the identification of Chinese herbal medicine and clinical medicine etc. In recent years, thanks to the development of the nuclear magnetic resonance hydrogen spectrum technique, people put more emphasis on the application of the ’H-NMR.Infrared spectrometry is one of the spectral analysis technologies which is scientific, effective, convenient and quick. When the Fourier transform (FT) technology added, some of the pitfalls of traditional infrared spectroscopy had been improved. It has much more advantages, such as faster scanning speed, higher resolution, higher precision and higher sensitivity. Thanks to the Fourier transform infrared spectroscopy can give almost all of the structure information of complex, it is widely used in many fields. Attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR) is one of the technologies to analyze the information of surface composition. It is not only has the advantages of traditional infrared spectra method but also has its advantages, such as it does not destroy samples, convenient and fast, strong etc. So ATR-FTIR is used for the identification of traditional Chinese medicine.Fourier convolution solution is a data processing method, it can enhance the resolution of the spectrum and is conducive to our complex mapping analysis. Chinese herbal medicine is a complex system, overlapping absorption peak of the sample could be observed effectively by the use of Fourier convolution solution techniques. Discrete wavelets transform as a new image processing technology is an important part of chemometrics. Discrete wavelet transform can reduce and optimize data, referred to the "mathematics microscope" of chemical signals. In this paper, the main research work is as follows:1. Using1H-NMR combined with chemometrics to study on traditional Chinese medicine identification.The seeds of Platycladus orientalis (Linn.) Franco and the seeds of Cupressus funebris Endl. Have stable chemical composition. Nuclear magnetic resonance was used to obtain1H-NMR fingerprint of the semen platycladi, and then the data was dealt with DWT to analyze and classify. It provides a new method to identify the seeds of Platycladus orientalis (Linn.) Franco and its adulterants.The spectra of the Flos Sophorae (The flower of Sophora japonica L.) and the confusable variety the flower of Humulus japonicas were tested by’H-NMR. After dealing with the data in DWT, it could be distinguished between the two similar samples obviously under the comparison and analysis of them.2. Using ART-FTIR combined with chemometrics study on traditional Chinese medicine identification.The tuber of Rhizoma cyperi and the tuber of Radix semiaquile were choosed to get their ART-FTIR. Comparing and analyzing with the results of Fourier self deconvolution and clustering analysis, the result is conformity to the result of traditional plant taxonomy. The technology of ATR-FTIR combined with FSD-IR and clustering analysis has a good effects in the classification of traditional Chinese medicine.Bupleurum scorzonerifolium Willd., Bupleurum smithii Wolff and Bupleurum bicaule as Chinese medicinal materials which are all plant roots were selected. By the way of analyzing their spectra of ATR-FTIR, FSD and DWT, a method could be set up by using Fourier transform infrared spectroscopy to identify Bupleurum scorzonerifolium Willd. and its adulterants.The seeds of Coix lacryma-jobi L.var.frumentacea Makino, Coix lachrymal-jobi L. and Sorghum vulgare Pers. are all plant seeds of traditional Chinese medicine. ATR-FTIR method was used to measure their infrared spectrum. FSD and clustering analysis were carried on comparative analysis. The results showed that the method of traditional Chinese medicine identification has good application value.3. Comparison of two methods (FTIR and’H-NMR) which used in identification of traditional Chinese medicine.Paeonia suffruticosa Andr. as a famous traditional Chinese medicine and its adulterants Lycium barbarum L. were selected to obtain the FTIR and’H-NMR respectively. By the analysis of their spectra and the spectra transformed by chemometrics, the two differential method could be well compared. The results provide a scientific research foundation to broader application in traditional Chinese medicine identification using the technology of spectroscopy combined with computer science and technology.
Keywords/Search Tags:Hydrogen Nuclear Magnetic Resonance, Attenuated total reflectionFourier transform infrared spectroscopy, Fourier self-deconvolution technique, discrete wavelet transform, clustering analysis, identification of traditional Chinesemedicine
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