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Theoretical analysis on retention behavior of pigments in reversed-phase high-performance liquid chromatographic
Yuanzhi Song1, Jianfeng Zhou, Yang Song
1Department of Chemistry, Huaiyin Teachers college, Jiangsu Province Key Laboratory for Chemistry of Low-Dimensional Materials, Huaian, PR China. songyuanzhi@sina.com
Abstract:
Quantitative structure-retention relationship (QSRR) models have been used successfully to predict and explain retention behavior of pigments in reversed-phase high-performance liquid chromatography (HPLC). The semi-empirical quantum chemical method (PM3) in Gaussian98 was employed to calculate a set of molecular descriptors of pigments. Using multiple linear regression (MLR), we obtained empirical functions with high correlation coefficient between retention times and quantum-chemical descriptors. This analysis indicated that the proposed QSRR models were satisfactory.
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