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《Analytical Instrumentation》 2014-06
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Simultaneous determination of organic compounds by combining three-dimensional fluorescence spectroscopy,second-order calibration with nonlinear regression

Lin Zan;Chen Hui;Wu Tong;Wang Li;Zhu Wanping;Tan Chao;Key Lab of Process Analysis and Control of Sichuan Universities,Yibin University;The First Affiliated Hospital of Chongqing Medical University;College of Chemistry and Chemical Engineering,Yibin University;  
Due to the second-order advantage,second-order calibration model based on parallel factor analysis(PARAFAC)decomposition of three-way data shows enormous potential in routine analysis.Three-dimensional fluorescence spectrometry can describe the relationship between fluorescence intensity and the change in the wavelength of emission and excitation simultaneously.More information of fluorescence spectrum can be provided.Both parallel factor analysis(PARAFAC)and alternating trilinear decomposition(ATLD)are classic algorithms and can separate the spectra of different substances with similar structure.The characteristic fluorescence spectrum can be obtained by decomposing data matrix of threedimensional fluorescence spectra from complex mixture.Catechol,hydroquinone,indole and tyrosine have exhibit similar structure.It is difficult to directly quantitative these components by a conventional method.By combining second-order calibration,the possibility of simultaneous determination of nonlinear regression of neural network and three-dimensional fluorescence spectroscopy are investigated.The experimental results confirm the method is feasible and no obvious performance difference between PARAFAC and ATLD are observed.
【Fund】: 国家自然科学基金(21375118);; 四川省应用基础项目(2013JY0101)
【CateGory Index】: O657.3
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