Accession Number : ADA335729

Title :   Octanol-Water Partition Coefficients by Capillary Electrophoresis

Descriptive Note : Final rept. 10 Jul 94-30 Jun 97

Corporate Author : FLORIDA STATE UNIV TALLAHASSEE DEPT OFCHEMISTRY

Personal Author(s) : Dorsey, John G.

PDF Url : ADA335729

Report Date : 1996

Pagination or Media Count : 4

Abstract : We have investigated the use of capillary electrophoresis (CE) for the modeling of octanol-water partition coefficients. Reversed-phase liquid chromatography (RPLC) is likely the most used method for estimation of octanol-water partition coefficients, with correlations from approximately 0.5 to 0.000, depending on the column and compounds tested. RPLC will never be a reliable method, however, because of variability in the chemistry of the stationary phase from column to column. Capillary electrophoresis is a much simpler system, as there is no true stationary phase, and there should be dramatically less variation from laboratory to laboratory. We have shown that CE can give a single point estimate of the octanol-water partition co-efficient. Specifically, micellar electrokinetic capillary chromatography (MECC), the micellar variant of the CE experiment, was evaluated as an a priori predictor of n-octanol-water partition coefficients (log Ko/w). Over 100 solutes with widely varying functionality were used to construct a universal calibration for estimation of octanol-water partition coefficients with r2 - 0.835. The calibration covers in excess of 9 orders of magnitude in log Ko/w. This method reduces the laboratory-to-laboratory variability and the long analysis time due to the multiple mobile phases necessary in current HPLC methods while retaining many of the desired advantages of chromatographic techniques.

Descriptors :   *WATER, *ELECTROPHORESIS, *CHROMATOGRAPHIC ANALYSIS, PHASE, CHEMISTRY, SOLUTES, STATIONARY, LIQUID CHROMATOGRAPHY, CALIBRATION, ORGANIC SOLVENTS, CHEMICAL ANALYSIS, CAPILLARITY, ELECTROKINETICS.

Subject Categories : Physical Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE