A resolution method based on Gaussian-like distribution for overlapped linear sweep polarographic peaks was proposed to simultaneously detect the polymetallic components, such as Zn（Ⅱ） and Co（Ⅱ）, coexisting in t...A resolution method based on Gaussian-like distribution for overlapped linear sweep polarographic peaks was proposed to simultaneously detect the polymetallic components, such as Zn（Ⅱ） and Co（Ⅱ）, coexisting in the leaching solution of zinc hydrometallurgy. A Gaussian-like distribution was constructed as the sub-model of overlapped peaks by analyzing the characteristics of linear sweep polarographic curve. Then, the abscissas of each peak and trough were pinpointed through multi-resolution wavelet decomposition, the curve and its derivative curves were fitted by using nonlinear weighted least squares （NWLS）. Finally, overlapped peaks were resolved into independent sub-peaks based on fitted reconstruction parameters. The experimental results show that the relative error of half-wave potential pinpointed by multi-resolution wavelet decomposition is less than 1% and the accuracy of Ip fitted by NWLS is higher than 96%. The proposed resolution method is effective for overlapped linear sweep polarographic peaks of Zn（Ⅱ） and Co（Ⅱ）.展开更多
A chemometric method to determine selective ion by using non-negative immune algorithm （NNIA） was proposed. In the method, the mutual projections of the chromatographic profiles at different m/z channel are calculat...A chemometric method to determine selective ion by using non-negative immune algorithm （NNIA） was proposed. In the method, the mutual projections of the chromatographic profiles at different m/z channel are calculated using NNIA. Suppose a GC-MS data with m retention time points and n mass channels, the projections of the GC-MS data onto a chromatographic profile at a mass channel will form a mass spectrum of ln vector. If the chromatographic profile at a selective mass channel is used, the extracted mass spectrum will be a correct one. Therefore, by comparing the extracted mass spectrum with a reference spectrum, the selective ion can be identified, and the corresponding chromatographic profile can be obtained at the same time. GC-MS data of 40-pesticide mixture was investigated by the method. The results show that both the mass spectral and the chromatographic information of the interested components can be extracted from the overlapping signals, except for the special cases of isomeric components with very similar mass spectra.展开更多
基金Project(2012BAF03B05)supported by the National Key Technology R&D Program of ChinaProject(61025015)supported by the National Natural Science Foundation for Distinguished Young Scholars of China+1 种基金Project(61273185)supported by the National Natural Science Foundation of ChinaProject(2012CK4018)supported by the Science and Technology Project of Hunan Province,China
文摘A resolution method based on Gaussian-like distribution for overlapped linear sweep polarographic peaks was proposed to simultaneously detect the polymetallic components, such as Zn（Ⅱ） and Co（Ⅱ）, coexisting in the leaching solution of zinc hydrometallurgy. A Gaussian-like distribution was constructed as the sub-model of overlapped peaks by analyzing the characteristics of linear sweep polarographic curve. Then, the abscissas of each peak and trough were pinpointed through multi-resolution wavelet decomposition, the curve and its derivative curves were fitted by using nonlinear weighted least squares （NWLS）. Finally, overlapped peaks were resolved into independent sub-peaks based on fitted reconstruction parameters. The experimental results show that the relative error of half-wave potential pinpointed by multi-resolution wavelet decomposition is less than 1% and the accuracy of Ip fitted by NWLS is higher than 96%. The proposed resolution method is effective for overlapped linear sweep polarographic peaks of Zn（Ⅱ） and Co（Ⅱ）.
基金financially supported by the National Natural Science Foundation of China (21175074)
文摘A chemometric method to determine selective ion by using non-negative immune algorithm （NNIA） was proposed. In the method, the mutual projections of the chromatographic profiles at different m/z channel are calculated using NNIA. Suppose a GC-MS data with m retention time points and n mass channels, the projections of the GC-MS data onto a chromatographic profile at a mass channel will form a mass spectrum of ln vector. If the chromatographic profile at a selective mass channel is used, the extracted mass spectrum will be a correct one. Therefore, by comparing the extracted mass spectrum with a reference spectrum, the selective ion can be identified, and the corresponding chromatographic profile can be obtained at the same time. GC-MS data of 40-pesticide mixture was investigated by the method. The results show that both the mass spectral and the chromatographic information of the interested components can be extracted from the overlapping signals, except for the special cases of isomeric components with very similar mass spectra.
