@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 = {<Go to ISI>://000236307700015},
	author = {Fang, N. and Chen, D. D. Y.}
}
@article {1108,
	title = {General approach to high-efficiency simulation of affinity capillary electrophoresis},
	journal = {Analytical Chemistry},
	volume = {77},
	number = {3},
	year = {2005},
	note = {ISI Document Delivery No.: 893ZGTimes Cited: 12Cited Reference Count: 22},
	month = {Feb},
	pages = {840-847},
	type = {Article},
	abstract = {The differential equation describing electrophoretic migration can be evaluated with various finite difference schemes (FDSs). However, the accuracy and efficiency can be dramatically different depending on the FDS chosen and the way the algorithm is implemented in a computer simulation program. The monotonic transport scheme is used as the algorithm for the hyperbolic part of the differential equation, and the first-order fully explicit scheme is used for the parabolic part of the equation. The combination of these algorithms minimizes the errors and maintains high efficiency. A circular arrangement of the cells in the computer{\textquoteright}s memory is used in the implementation of the algorithms, and the use of concentration thresholds to enable and disable cells along the capillary makes the new algorithm highly efficient. Either thermodynamic or kinetic constants can be used in this program to simulate binding interactions between two species for equilibrium and nonequilibrium affinity CE. Simulation results with various parameters are presented. The simulated peak with proper parameters for an equilibrium affinity CE experiment has shape and position similar to that of the experimental peak. The simulated electropherograms for a nonequilibrium affinity CE experiment also show characteristics of the experimental electropherograms.},
	keywords = {COMPUTER-SIMULATION, ELECTROMIGRATION, EQUILIBRIUM MIXTURES, MATHEMATICAL-MODEL, NUMERICAL-SIMULATION, SEPARATIONS, ZONE-ELECTROPHORESIS},
	isbn = {0003-2700},
	url = {<Go to ISI>://000226759000024},
	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 = {<Go to ISI>://000220225200023},
	author = {Fang, N. and Ting, E. and Chen, D. D. Y.}
}
@article {4206,
	title = {The effect of complexation additives on analyte migration behavior in capillary electrochromatography},
	journal = {Electrophoresis},
	volume = {19},
	number = {8-9},
	year = {1998},
	note = {ISI Document Delivery No.: ZY715Times Cited: 6Cited Reference Count: 22},
	month = {Jun},
	pages = {1452-1460},
	type = {Article},
	abstract = {In capillary electrochromatography (CEC), analytes often have different mobilities in the mobile phase, and often are involved in multiple equilibria. In this paper, the migration behavior of an analyte in CEC is described by a general equation in which individual capacity factors are used to describe the tendency of the analyte to exist as the various analyte species present in a separation system, and the effects of both field and equilibrium are accounted for. The resolution of two analytes is shown to be related linearly to the ratio of their migration rates. The effect of the electroosmotic flow (EOF) in CEC is more complicated than in CE because it is experienced only by a fraction of the analyte, whereas in CE, it is experienced by all analyte species. A procedure for calculating the electrophoretic mobility of the analyte based on the fraction of the analyte in the buffer is demonstrated. The effect of the EOF on resolution is also discussed.},
	keywords = {additives, capillary electrochromatography, COMPLEXATION, ELECTROPHORESIS, LIQUID-CHROMATOGRAPHY, multiple equilibria, PARAMETERS, separation theory, SEPARATIONS},
	isbn = {0173-0835},
	url = {<Go to ISI>://000074652100040},
	author = {Bowser, M. T. and Chen, D. D. Y.}
}
