TY - JOUR
T1 - Quantitative structure-retention relationships in comparative studies of behavior of stationary phases under high-performance liquid chromatography and capillary electrochromatography conditions
AU - Jiskra, J.
AU - Claessens, H.A.
AU - Cramers, C.A.M.G.
AU - Kaliszan, R.
PY - 2002
Y1 - 2002
N2 - Quantitative structure–retention relationships (QSRR) have been employed in studying the molecular mechanism of chromatographic separations under pressure- (HPLC) and electro-driven (CEC) conditions. Logarithms of retention factors corresponding to zero percent of organic modifier in aqueous eluent, log k , were determined on eight reversed-phase w
stationary phases under both HPLC and CEC conditions at similar eluent flow velocities. QSRR equations describing log kw in terms of linear solvation energy relationship (LSER) parameters of analytes, in terms of simple structural descriptors acquired by calculation chemistry, and in terms of logarithms of n-octanol–water partition coefficients, were derived.
Parameters of corresponding QSRR equations for individual stationary phases were compared for both HPLC and CEC modes and the resulting similarities and differences in retention mechanisms were discussed. It has been concluded that at least in the case of regular neutral analytes the specific inputs to separation mechanism due to the electric field in CEC are of secondary importance.
AB - Quantitative structure–retention relationships (QSRR) have been employed in studying the molecular mechanism of chromatographic separations under pressure- (HPLC) and electro-driven (CEC) conditions. Logarithms of retention factors corresponding to zero percent of organic modifier in aqueous eluent, log k , were determined on eight reversed-phase w
stationary phases under both HPLC and CEC conditions at similar eluent flow velocities. QSRR equations describing log kw in terms of linear solvation energy relationship (LSER) parameters of analytes, in terms of simple structural descriptors acquired by calculation chemistry, and in terms of logarithms of n-octanol–water partition coefficients, were derived.
Parameters of corresponding QSRR equations for individual stationary phases were compared for both HPLC and CEC modes and the resulting similarities and differences in retention mechanisms were discussed. It has been concluded that at least in the case of regular neutral analytes the specific inputs to separation mechanism due to the electric field in CEC are of secondary importance.
U2 - 10.1016/S0021-9673(02)01306-7
DO - 10.1016/S0021-9673(02)01306-7
M3 - Article
SN - 0021-9673
VL - 977
SP - 193
EP - 206
JO - Journal of Chromatography, A
JF - Journal of Chromatography, A
IS - 2
ER -