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Chemiluminescence analysis speed, high sensitivity, wide linear range, the equipment is simple, easy to realize the advantages of automation has become Chemiluminescence main research directions. However, the chemiluminescence analysis system for fluorescence analysis system and UV - visible spectral absorption system very little. Therefore, chemiluminescence analysis of the new system is extremely important to promote the development of chemiluminescence, broaden the range of applications of the chemiluminescence, has become one of the chemiluminescent analysis of the main research directions. This thesis is to study the quantitative structure - property relationship (QuantitativeStructure-Property Relationship, QSPR) introduced to the chemiluminescence analysis system, the establishment of the organic compounds in the liquid phase direct chemical luminescence properties QSPR discriminant model and using the model theory predicts that some of the compounds liquid directly chemiluminescence characteristics, a research chemiluminescence analysis system. The main contents are as follows: Part I: Overview the QSPR definition, theory, research basis and research steps, focusing on the compression and selection of the classification and calculation of QSPR research molecular descriptors, variable analysis, discriminant function model method, and QSPR for the analysis of the prediction of the physical and chemical properties of a substance in the field of chemistry and environmental science, the design and synthesis of new drug research progress are reviewed. The second part; research report, organic compounds liquid directly chemiluminescence characteristics theoretical prediction model to establish this article is based on the molecular structure and the nature of the typical compounds known to be able to have a direct chemiluminescence in the liquid phase structural analysis, extraction direct liquid phase chemiluminescence characteristics related to the structural characteristics of parameters, statistical analysis on the structural parameters analysis, compression, selection and optimization of portfolio and prepared using MATLAB programming language parameters are calculated, and finally the structural parameters of the molecule of the compound independent variables, linear discriminant analysis discriminant index constructed discriminant function equation DF (QSPR discriminant model), and 173 kinds of organic compounds in the liquid phase direct chemiluminescence characteristics theory predicts that the use of the discriminant function equation, the results show that the discriminant function can distinguish light-emitting material and light-emitting material, the correct rate of 94.5%. To further validate the discriminatory power of the functional equation, we use the discriminant equation theoretical predictions reported in 2006, 26 chemiluminescence behavior of the chemiluminescent substance, the correct rate of 88.5%. On the other hand, by the established discriminant function equation, genistein, daidzein, Chrysin Scutellaria prime, four isoflavones liquid directly chemiluminescence characteristics of the theoretical prediction, forecast results show that these four compounds have the liquid directly chemiluminescence characteristics; direct chemiluminescence behavior of these four compounds liquid phase experiments, experimental results show that in acidic or alkaline potassium permanganate system genistein, daidzein $ Chrysin Scutellaria hormone can be directly oxidized to generate a chemiluminescent signal. Seen, four compounds were the liquid directly chemiluminescence characteristics, consistent with the theoretical prediction. Alkaline potassium permanganate system isoflavones chemiluminescence behavior most literature on the chemiluminescence behavior of substances in the acidic potassium permanganate system, while alkaline potassium permanganate system Research has rarely been reported. This article studies show that: genistein, daidzein, Chrysin Scutellaria prime, four isoflavones potassium permanganate oxidation in acidic or alkaline medium can produce chemiluminescence, and they are high in alkaline manganese Potassium system chemiluminescent signal is much higher than in the acidic potassium permanganate system; whether alkaline or acidic potassium permanganate systems, their emission spectra in the same wavelength range (lambda = 640 nm). Our experimental results reported in literature and explore the reaction mechanism of potassium permanganate chemiluminescence system.
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