Determination of thermodynamic values of acidic dissociation constants and complexation constants of profens and their utilization for optimization of separation conditions by Simul 5 Complex.

摘要: Abstract In this paper we determine acid dissociation constants, limiting ionic mobilities, complexation constants with β-cyclodextrin or heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin, and mobilities of resulting complexes profens, using capillary zone electrophoresis affinity electrophoresis. Complexation parameters are determined for both neutral fully charged forms profens further corrected actual strength variable viscosity in order to obtain thermodynamic values constants. The accuracy obtained is verified by multidimensional nonlinear regression electrophoretic data, which provides the within one set measurements, NMR technique. A good agreement among all discussed methods was obtained. Determined were used as input simulations separation Simul 5 Complex. An excellent experimental simulated results achieved terms positions, shapes, amplitudes analyte peaks, confirming applicability Complex complex systems, physical–chemical Simultaneously, able demonstrate influence electromigration dispersion on efficiency, not possible common theoretical approaches, predict reversals profen peaks. We have shown that combination tool software can be optimization conditions