Mathematical model and dynamic computer simulation on free flow zone electrophoresis.

In this paper, a mathematical model was proposed for calculating physico-chemical parameters and simulating the separation process of solutes in free-flow zone electrophoresis (FFZE). Computer software was developed and implemented in a Delphi XE2 environment based on the model, which comprises zone electrophoresis, electrolyte solution, hydrodynamics and diffusion as well as conversion equations. The simulation results reveal that (i) the software is capable of simulating a dynamic process of FFZE properly; (ii) the software can simulate operation parameters (e.g., electric field, flow rate and pH value) for experimental optimization; (iii) the simulator is able to display the final electropherogram of numerous analytes in FFZE; and (iv) the electropherogram of FFZE can be automatically converted to that of capillary zone electrophoresis. In order to verify the rationality and reliability of this software, the relevant experiments were conducted and further compared with the simulations. The comparisons demonstrated the high agreement between the simulations and the experiments as well as those cited from the relevant references. In addition, effective mobility, diffusion coefficient and concentration of solutes can be conveniently gained via the software. The developed mathematical model and designed software have evident significance for the optimization of experimental conditions and basic physico-chemical parameters in FFZE.

[1]  Liu-yin Fan,et al.  Stump-like mathematical model and computer simulation on dynamic separation of capillary zone electrophoresis with different sample injections. , 2013, Talanta.

[2]  Liu-yin Fan,et al.  Mathematical model and computer simulation on moving precipitate boundary electrophoresis for offline sample pre- concentration of heavy metal ion. , 2013, Talanta.

[3]  Liu-yin Fan,et al.  Simply enhancing throughput of free‐flow electrophoresis via organic‐aqueous environment for purification of weak polarity solute of phenazine‐1‐carboxylic acid in fermentation of Pseudomonas sp. M18 , 2012, Electrophoresis.

[4]  Xianqing Huang,et al.  Quantitative investigation of resolution increase of free‐flow electrophoresis via simple interval sample injection and separation , 2012, Electrophoresis.

[5]  P. A. Kler,et al.  Modeling and high performance simulation of electrophoretic techniques in microfluidic chips , 2011 .

[6]  Liu-yin Fan,et al.  Purification of low‐concentration phenazine‐1‐carboxylic acid from fermentation broth of Pseudomonas sp. M18 via free flow electrophoresis with gratis gravity , 2010, Electrophoresis.

[7]  C. Cao,et al.  Controlling of band width, resolution and sample loading by injection system in a simple preparative free-flow electrophoresis with gratis gravity. , 2010, Journal of chromatography. A.

[8]  Liu-yin Fan,et al.  Computer simulation on a continuous moving chelation boundary in ethylenediaminetetraacetic acid-based sample sweeping in capillary electrophoresis. , 2009, Journal of chromatography. A.

[9]  V. Kašička.  From micro to macro: Conversion of capillary electrophoretic separations of biomolecules and bioparticles to preparative free‐flow electrophoresis scale , 2009, Electrophoresis.

[10]  C. Cao,et al.  A simple preparative free‐flow electrophoresis joined with gratis gravity: I. Gas cushion injector and self‐balance collector instead of multiple channel pump , 2009, Electrophoresis.

[11]  Moran Bercovici,et al.  Open source simulation tool for electrophoretic stacking, focusing, and separation. , 2009, Journal of chromatography. A.

[12]  Liu-yin Fan,et al.  Review on the theory of moving reaction boundary, electromigration reaction methods and applications in isoelectric focusing and sample pre-concentration. , 2008, The Analyst.

[13]  W. Thormann,et al.  High‐resolution computer simulation of the dynamics of isoelectric focusing using carrier ampholytes: Focusing with concurrent electrophoretic mobilization is an isotachophoretic process , 2006, Electrophoresis.

[14]  Bohuslav Gas,et al.  Simul 5 – Free dynamic simulator of electrophoresis , 2006, Electrophoresis.

[15]  N. Komarova,et al.  Determination of amino acids in fodders and raw materials using capillary zone electrophoresis. , 2004, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.

[16]  E. Bergström,et al.  Electromigration dispersion in capillary zone electrophoresis. Experimental validation of use of the Haarhoff-Van der Linde function. , 2002, Journal of chromatography. A.

[17]  M. Jaros,et al.  Eigenmobilities in background electrolytes for capillary zone electrophoresis. I. System eigenpeaks and resonance in systems with strong electrolytes. , 2002, Journal of chromatography. A.

[18]  W. Thormann,et al.  High‐resolution computer simulation of the dynamics of isoelectric focusing using carrier ampholytes: The post‐separation stabilizing phase revisited , 2002, Electrophoresis.

[19]  J. Pawliszyn,et al.  Dynamics of capillary isoelectric focusing in the absence of fluid flow: high-resolution computer simulation and experimental validation with whole column optical imaging. , 2000, Analytical chemistry.

[20]  H. Issaq,et al.  Peptide mobility and peptide mapping in capillary zone electrophoresis. Experimental determination and theoretical simulation. , 1999, Journal of chromatography. A.

[21]  R. Cerro,et al.  Purification of bioproducts by free‐flow zone electrophoresis: Choice of processing parameters , 1998, Electrophoresis.

[22]  P. Boček,et al.  Continuous free‐flow electrophoresis , 1998, Electrophoresis.

[23]  T. Barth,et al.  Theory of the correlation between capillary and free-flow zone electrophoresis and its use for the conversion of analytical capillary separations to continuous free-flow preparative processes. Application to analysis and preparation of fragments of insulin. , 1998, Journal of chromatography. A.

[24]  C. Cao.  Comparisons of the mobilities of salt ions obtained by the moving boundary method and two empirical equations in capillary electrophoresis , 1997 .

[25]  M. Clifton.  Continuous-flow electrophoresis in the Taylor regime: a new possibility for preparative electrophoresis , 1997 .

[26]  H M Widmer,et al.  Continuous separation of high molecular weight compounds using a microliter volume free-flow electrophoresis microstructure. , 1996, Analytical chemistry.

[27]  E. Kenndler,et al.  Ionic strength and charge number correction for mobilities of multivalent organic anions in capillary electrophoresis , 1995 .

[28]  B. Gaš,et al.  Dynamics of peak dispersion in capillary zone electrophoresis including wall adsorption I. Theoretical model and results of simulation , 1995, Electrophoresis.

[29]  A. Cifuentes,et al.  Simulation and optimization of peptide separation by capillary electrophoresis. , 1994, Journal of chromatography. A.

[30]  E. Kenndler,et al.  Computational simulation of migration and dispersion in free capillary zone electrophoresis, II: Results of simulation and comparison with measurements , 1994 .

[31]  F. Lottspeich,et al.  Computer simulation and experimental evaluation of on-column sample preconcentration in capillary zone electrophoresis by discontinuous buffer systems , 1993 .

[32]  M. Clifton.  Numerical simulation of protein separation by continuous‐flow electrophoresis , 1993, Electrophoresis.

[33]  V. Kašička,et al.  Conversion of capillary zone electrophoresis to free-flow zone electrophoresis using a simple model of their correlation : application to synthetic enkephalin-type peptide analysis and preparation , 1992 .

[34]  E. Lightfoot,et al.  Finite difference modelling of continuous-flow electrophoresis , 1992 .

[35]  H. Balmann,et al.  Continuous-flow electrophoresis: a separation criterion applied to the separation of model proteins , 1992 .

[36]  H. Wagner,et al.  High speed electrophoresis simulation for optimization of continuous flow electrophoresis and high performance capillary techniques: Part I. Computer model , 1992, Electrophoresis.

[37]  V. Kašička,et al.  Correlation of capillary zone electrophoresis with continuous free‐flow zone electrophoresis: Application to the analysis and purification of synthetic growth hormone releasing peptide , 1990, Electrophoresis.

[38]  M. Clifton,et al.  Conditions for purification of proteins by free‐flow zone electrophoresis , 1990, Electrophoresis.

[39]  Václav Kašiǩa and Zdeněk Prusík.  Mathematical modelling and computer simulation of continuous free flow isotachophoresis , 1987 .

[40]  K. Shimao.  Mathematical simulation of isotachophoresis boundary between protein and weak acid , 1986 .

[41]  M. Bier,et al.  An explanation for the plateau phenomenon in isoelectric focusing , 1986 .

[42]  K. Shimao.  Mathematical approach to zone boundary of isotachophoresis system , 1986 .

[43]  M. Bier,et al.  Experimental and theoretical dynamics of isoelectric focusing - Elucidation of a general separation mechanism , 1986 .

[44]  P. Radi,et al.  Numerical simulation of electrophoresis: The complete solution for three isotachophoretic systems , 1985 .

[45]  O. Palusinski,et al.  Computer simulation and experimental validation of isoelectric focusing in ampholine-free systems , 1981 .

[46]  J. A. Giannovario,et al.  A mathematical model of free-flow electrophoresis , 1978 .