Investigation Of Chemometric Methods On Metabonomic Analusis By Using Nulear Magnetic Resonance Spectroscopys

In the later 1990's, the concept of merabonimic was proposed by Nicholson, which is based on the nuclear magnetic resonance and pattern recognition method. The noise signal affected the following biochemical analysis was detected during the processing of NMR. Wavelet can eliminated noise signal in the complex biologic NMR spectroscopy.This thesis was focused on the application of pattern recognition to biomedical NMR study, firstly mentioned the application of principal component analysis and Fisher distinguish. The main content is as follows:1. The development of metabonomics was reviewed. The features of the fluid NMR spectroscopy and how to prepare samples for experiments were described. The most often used experimental NMR techniques were discussed.2. Wavelet method was implemented and applied in the control and drug-dosed rats of liquid NMR data for toxicity study. The results indicated that the serum samples, which NMR spectroscopy were treaded with wavelet and principal component analysis, were divided into different patterns than traditional metabonmics methods.3. Combinating with Fisher distinguish analysis, this thesis works over serum sample of three drug compounds and gained new metabonmics information.4. NMR spectroscopy of biological samples has been used to assess acute toxicological effects of six drug compounds within 48 hours, than establish the mathematical model of biological fluids (urine and serum) metabonmics by methods of chemometrics. Information of the acute toxicity of La(NO3)3 and Ce(NO3)3 was obtained from the abnormal patterns of the metabolite excretions. The biochemical parameters and histological measurements were carried out by normal methods. Our final results from NMR-based metabonomic analysis of biological samples from rats suggest that liver is the target organ damaged by lanthanum, high-dosage cerium causes both disorders of energy metabolism in liver and renal tubular inflammation and papillary necrosis in rats. The NMR-based metabonomic methods can also be used to evaluate the toxicities of other compounds.