Optimization of background electrolytes for capillary electrophoresis: II. Computer simulation and comparison with...

Area of Science:

• Analytical Chemistry
• Physical Chemistry

Background:

• Capillary zone electrophoresis (CZE) relies on optimized background electrolyte (BGE) systems for effective separation.
• Accurate modeling of BGEs is crucial for predicting analyte behavior and optimizing detection sensitivity.

Purpose of the Study:

• To adapt and algorithmize a previously developed mathematical model for BGE optimization in CZE.
• To introduce PeakMaster, a freeware computer program implementing this model.
• To enable prediction of analyte effective mobility, transfer ratio, and conductivity detection response.

Main Methods:

• Adaptation and algorithmization of a mathematical model for BGE systems.
• Development of the freeware computer program PeakMaster.
• Incorporation of ionic strength dependence for mobilities and electrolyte dissociation.
• Calculation of effective analyte mobility and prediction of experimental parameters.

Main Results:

• PeakMaster allows optimization of BGE systems with various electrolytes (uni-, di-, trivalent).
• The model accurately predicts parameters like transfer ratio (indirect UV detection) and molar conductivity response.
• It accounts for BGEs at extreme pH and high ionic strength.
• The model predicts analyte electromigration dispersion and peak broadening tendencies.

Conclusions:

• The PeakMaster program provides a valuable tool for optimizing CZE separations.
• The model's predictions are validated experimentally, even under challenging conditions.
• This computational approach aids in enhancing separation efficiency and detection sensitivity in CZE.