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An approach to the prediction of retention times in liquid chromatography
Authors:T Hanai  C Tran  J Hubert
Abstract:The utility of Rekker's hydrophobic fragmental constant has been examined for optimization of reversed-phase mode liquid chromatographic separations. The chromatographic behavior of about 60 non-ionic compounds was measured in different acetonitrile/water mixtures and the logarithm of their capacity factors (log k) was correlated with their calculated hydrophobicities (log P). Linear relations were found in each case between log k and log P. The slope of the various lines was related to the percentage concentration of acetonitrile in the mobile phase. It was shown that, by using nine stand ard compounds and measuring their capacity factors in five eluents with different acetonitrile concentrations, the retention time could be predicted for 60 compounds. Calculation of the concentration of the organic modifier was also possible in a system of well coated octadecyl bonded packings with acetonitrile/water mixtures as eluent. Prediction of the capacity factor was accomplished to within 5% error.
Keywords:Reversed-phase mode liquid chromatography  Rekker's hydrophobic fragmental constant  Calculation of concentration of organic modifier  Prediction of retention time
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