@article {1389,
title = {Behavior of interacting species in capillary electrophoresis described by mass transfer equation},
journal = {Analytical Chemistry},
volume = {78},
number = {6},
year = {2006},
note = {ISI Document Delivery No.: 025ZYTimes Cited: 9Cited Reference Count: 30},
month = {Mar},
pages = {1832-1840},
type = {Article},
abstract = {Affinity capillary electrophoresis (ACE) has been used to estimate thermodynamic constants of binding interactions with linear or nonlinear regression methods. The accuracy of this approach relies heavily on the binding interaction mechanism, which is controlled by both the nature of the interaction and the experimental conditions. The development of a highly efficient computer-simulated ACE system makes it possible to demonstrate the detailed behavior of any interacting species of a given interaction under any conditions. The order of the mobilities of the complex and the two binding species in their free forms is a key factor to determine what molecules in what locations of the column are involved in the interaction, and the peak shape resulting from such interactions, of a given ACE experiment. In this paper and the supporting materials, 18 scenarios in 6 different combinations of migration orders of the free analyte, free additive, and complex formed are studied by a computer simulation program based on the mass transfer equation. From the study of these situations, we conclude high additive concentration (ensuring high capacity factor) and low analyte concentration (ensuring fast fill-in of the free additive in the analyte plug) are crucial for obtaining accurate results when using the regression methods. On the other hand, the approach to estimate binding constants with computer simulation can be much more accurate as long as accurate and efficient simulation models can be developed, especially when the ratio of the additive and analyte concentrations is not large enough.},
keywords = {BINDING CONSTANTS, CHROMATOGRAPHY, DISPERSION, EFFICIENCY, ERROR PROPAGATION, MONTE-CARLO-SIMULATION, pressure, RECTANGULAR HYPERBOLAE, SEPARATIONS, ZONE-ELECTROPHORESIS},
isbn = {0003-2700},
url = {://000236307700015},
author = {Fang, N. and Chen, D. D. Y.}
}
@article {849,
title = {Determination of shapes and maximums of analyte peaks based on solute mobilitiess in capillary electrophoresis},
journal = {Analytical Chemistry},
volume = {76},
number = {6},
year = {2004},
note = {ISI Document Delivery No.: 803IQTimes Cited: 11Cited Reference Count: 28},
month = {Mar},
pages = {1708-1714},
type = {Article},
abstract = {In capillary electrophoresis, the relative orders of mobilities of analyte, additive, and the complex formed determine the analyte peak shape in a way similar to the way the binding isotherms determine the peak shapes in chromatography. The three mobilities allow six possible orders; each produces a characteristic peak shape in CE. Equations describing the analyte migration in a CE system with the presence of mobility-changing additives can be implemented into computer programs to predict the migration times of the analyte peak maximums, and the predicted migration times agree well with the experimental results.},
keywords = {DISPERSION, DYNAMIC COMPLEXATION, FLOW, MIGRATION BEHAVIOR, NUMERICAL-SIMULATION, pressure, QUANTITATIVE DESCRIPTION, SEPARATIONS, ZONE-ELECTROPHORESIS},
isbn = {0003-2700},
url = {://000220225200023},
author = {Fang, N. and Ting, E. and Chen, D. D. Y.}
}
@article {2750,
title = {DIELECTRIC-RELAXATION OF ELECTROLYTE-SOLUTIONS - IS THERE REALLY A KINETIC DIELECTRIC DECREMENT},
journal = {Journal of Chemical Physics},
volume = {98},
number = {6},
year = {1993},
note = {ISI Document Delivery No.: KU222Times Cited: 31Cited Reference Count: 34},
month = {Mar},
pages = {4959-4966},
type = {Article},
abstract = {The dielectric behavior of model electrolyte solutions is studied by molecular dynamics simulations. For the systems considered, it is found that the zero-frequency dielectric constant depends only on equilibrium properties and that there is no measurable {\textquoteright}{\textquoteright}kinetic dielectric decrement.{\textquoteright}{\textquoteright} A theoretical explanation of the simulation results is presented. It is argued that no kinetic dielectric decrement exists for spherical ions in solvents of arbitrary molecular symmetry.},
keywords = {AQUEOUS-ELECTROLYTES, COMPUTER-SIMULATION, CONSTANT, DISPERSION, DYNAMICS, ELECTROSTATIC SYSTEMS, friction, MOLECULAR THEORY, PERIODIC BOUNDARY-CONDITIONS, polarization},
isbn = {0021-9606},
url = {://A1993KU22200067},
author = {Chandra, A. and Wei, D. Q. and Patey, G. N.}
}
@article {7146,
title = {DIELECTRIC-RELAXATION OF ELECTROLYTE-SOLUTIONS},
journal = {Journal of Chemical Physics},
volume = {94},
number = {10},
year = {1991},
note = {ISI Document Delivery No.: FL001Times Cited: 29Cited Reference Count: 49},
month = {May},
pages = {6795-6806},
type = {Article},
abstract = {The dielectric relaxation theory of electrolyte solutions is formulated in terms of solvent-solvent, ion-ion, and ion-solvent van Hove time correlation functions. General wave vector frequency-dependent expressions are given for the longitudinal components of the relevant (i.e., polarization-polarization, current-current, current-polarization, polarization-current) time correlation functions and of the susceptibility, dielectric, and conductivity tensors. The Kerr theory relating the distinct and self parts of the van Hove functions is extended to mixtures of molecular fluids and solved explicitly in the k {\textendash}> 0 limit for solutions of spherical ions (assuming that the self part of the van Hove functions is given by Fick{\textquoteright}s law) immersed in polar solvents. At this level of theory, the van Hove functions, the time correlation functions and the susceptibilities are all found to depend upon coupled ion-solvent motion. However, the dynamical coupling terms are shown to cancel exactly in the final expressions for the conductivity and dielectric constant yielding relatively simple results. Specifically, the conductivity obtained is independent of frequency and is related to the self diffusion constants of the ions by the Nernst-Einstein expression. If a spherical diffusor model is chosen for the solvent, then the frequency-dependent dielectric constant is given by a Debye-type formula with a concentration dependent relationship connecting the Debye and self reorientational relaxation times of the solvent. These results are discussed in the context of previous theories and experimental observations. It is shown that, although obviously oversimplified, the present theory does qualitatively predict the correct concentration dependence of the observed relaxation times for a number of salt solutions.},
keywords = {DIPOLAR LIQUIDS, DISPERSION, FLUIDS, friction, INVARIANT EXPANSION, LIQUIDS, MEAN SPHERICAL MODEL, MOLECULAR THEORY, ORNSTEIN-ZERNIKE EQUATION, POLAR, TRANSLATIONAL DIFFUSION},
isbn = {0021-9606},
url = {://A1991FL00100048},
author = {Wei, D. Q. and Patey, G. N.}
}