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Prediction of soil adsorption coefficients from retention parameters on three reversed-phase liquid chromatographic
Rongbo Guo1, Xinmiao Liang, Jiping Chen
1Dalian Institute of Chemistry and Physics, Chinese Academy of Sciences.
Abstract:
Reversed-phase high-performance liquid chromatographic (RP-HPLC) retention parameters, which are determined by the intermolecular interactions in retention process, can be considered as the chemical molecular descriptors in linear free energy relationships (LFERs). On the basis of the characterization and comparison of octadecyl-bonded silica gel (ODS), cyano-bonded silica gel (CN), and phenyl-bonded silica gel (Ph) columns with linear solvation energy relationships (LSERs), a new multiple linear regression model using RP-HPLC retention parameters on ODS and CN columns as variables for estimation of soil adsorption coefficients was developed. It was tested on a set of reference substances from various chemical classes. The results showed that the multicolumn method was more promising than a single-column methpd was for the estimation of soil adsorption coefficients. The accuracy of the suggested model is identical with that of LSERs.