Mathematical and numerical model to study two-dimensional free flow isoelectric focusing

Yoo, Kisoo; Shim, Jaesool; Liu, Jin; Dutta, Prashanta

doi:10.1063/1.4883575

Cited by 8 publications

(7 citation statements)

References 28 publications

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“…Furthermore, the Joule heat could be removed from the system if a flow field is introduced perpendicular to the applied electric field. 12 However, further study is needed to quantify fluid flow strength to overcome Joule heating problem, while maintaining a very good separation.…”

Section: Effect Of Ampholyte Dissociation Constants On Maximum Temmentioning

confidence: 99%

“…Recently, due to the availability of high performance computers and the development of efficient parallel algorithms, it is possible to simulate several hundred ampholytes in order to form smooth profiles for both narrow-and broad-range IEF. 6,7 Although the aforementioned IEF simulations have been used to explain experimental behavior in 1-D 8,9 and twodimensional (2-D) [10][11][12] problems qualitatively, none of these models have accounted for the effect of temperature. All previous IEF models were based on the same reference temperature, with no consideration of Joule heating in the capillary tube or microchannels.…”

Section: Introductionmentioning

confidence: 99%

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Effect of Joule heating on isoelectric focusing of proteins in a microchannel

2014

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Electric field-driven separation and purification techniques, such as isoelectric focusing (IEF) and isotachophoresis, generate heat in the system that can affect the performance of the separation process. In this study, a new mathematical model is presented for IEF that considers the temperature rise due to Joule heating. We used the model to study focusing phenomena and separation performance in a microchannel. A finite volume-based numerical technique is developed to study temperature-dependent IEF. Numerical simulation for narrow range IEF (6 < pH < 10) is performed in a straight microchannel for 100 ampholytes and two model proteins: staphylococcal nuclease and pancreatic ribonuclease. Separation results of the two proteins are obtained with and without considering the temperature rise due to Joule heating in the system for a nominal electric field of 100 V/cm. For the no Joule heating case, constant properties are used, while for the Joule heating case, temperature-dependent titration curves and thermo-physical properties are used. Our numerical results show that the temperature change due to Joule heating has a significant impact on the final focusing points of proteins, which can lower the separation performance considerably. In the absence of advection and any active cooling mechanism, the temperature increase is the highest at the midsection of a microchannel. We also found that the maximum temperature in the system is a strong function of the DpK value of the carrier ampholytes. Simulation results are also obtained for different values of applied electric fields in order to find the optimum working range considering the simulation time and buffer temperature. Moreover, the model is extended to study IEF in a straight microchip where pH is formed by supplying H þ and OH À , and the thermal analysis shows that the heat generation is negligible in ion supplied IEF. V C 2014 AIP Publishing LLC.

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Section: Effect Of Ampholyte Dissociation Constants On Maximum Temmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Effect of Joule heating on isoelectric focusing of proteins in a microchannel

2014

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“…Electrophoretic mobilization toward the cathode was induced by replacing the cathodic electrode solution with the anolyte followed by a continuation of power application at 600 V for 700 s. The detector plot for the 14 analytes and a detector placed at 57.6 mm is presented as insert in panel D. The cathode is to the right. Key: 1, serotonin (pI 10.58); 2, tyramine (10.17 • Parallel implementation with multiple CPUs for IEF simulations [85] and parallel scheme efficient algorithm for 2D IEF [86] • Effect of Joule heating on IEF [88] • 2D model for free flow IEF [89] • 2D model of ITP in channels of changing cross-sectional area [91]; quasi-steady state of ITP in complex microgeometries [92] and effect of Joule heating in ITP [93] CFD-ACE+ with user models Finite-element • Effects of electrode configuration and setting on electrokinetic analyte injection in CZE [94,95] • Analyte behavior in a curved channel [96] • Electrokinetic supercharging [97], behavior of DNA in CGE after electrokinetic injection [98], conditions at the capillary tip during field-amplified sample injection [99] • pH gradient formation and cathodic drift in microchip [100]…”

Section: One-dimensional Modelsmentioning

confidence: 99%

“…The 2D simulator was extended for faster IEF simulations with the parallel use of multiple CPUs [ 85 ], with an efficient algorithm of a parallel scheme [ 86 ], and was used for the validation of a steady‐state protein focusing model [ 87 ]. Other developments included the integration of Joule heating to study its effect on the IEF of proteins in a microchannel [ 88 ] and a mathematical and numerical model to study 2D free flow IEF [ 89 ]. With a proper change of the boundary conditions at the column ends, the same approach could be employed for studying the ITP process in straight channels [ 90 ] and in those featuring changes of the cross‐sectional area [ 91 ].…”

Section: Dynamic Simulators For Electrokinetic Separationsmentioning

confidence: 99%

Dynamic computer simulations of electrophoresis: 2010–2020

Thormann

Mosher²

2021

Electrophoresis

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The transport of components in liquid media under the influence of an applied electric field can be described with the continuity equation. It represents a nonlinear conservation law that is based upon the balance laws of continuous transport processes and can be solved in time and space numerically. This procedure is referred to as dynamic computer simulation. Since its inception four decades ago, the state of dynamic computer simulation software and its use has progressed significantly. Dynamic models are the most versatile tools to explore the fundamentals of electrokinetic separations and provide insights into the behavior of buffer systems and sample components of all electrophoretic separation methods, including moving boundary electrophoresis, CZE, CGE, ITP, IEF, EKC, ACE, and CEC. This article is a continuation of previous reviews (Electrophoresis 2009, 30, S16-S26 and Electrophoresis 2010, 31, 726-754) and summarizes the progress and achievements made during the 2010 to 2020 time period in which some of the existing dynamic simulators were extended and new simulation packages were developed. This review presents the basics and extensions of the three most used one-dimensional simulators, provides a survey of new one-dimensional simulators, outlines an overview of multi-dimensional models, and mentions models that were briefly reported in the literature. A comprehensive discussion of simulation applications and achievements of the 2010 to 2020 time period is also included.

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“…Improvements to these models were reported in the past decade, appealing to more complex formulations for particular physicochemical conditions , and electrically driven flows . Furthermore, particular applications like IEF in nano‐channels , 2D IEF , free‐flow IEF (FFIEF) , and even FFIEF combined with CZE in a 2D lab‐on‐a‐chip device were successfully modeled with computational tools based on the finite element (FEM) or finite volume (FVM) methods. Also, a commercial FEM tool was recently reported to successfully replicate 1D benchmark problems, with the potential to solve 2D and 3D arbitrary cases .…”

Section: Introductionmentioning

confidence: 99%

Comprehensive model of electromigrative transport in microfluidic paper based analytical devices

Schaumburg

Kler

2020

Electrophoresis

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A complete mathematical model for electromigration in paper-based analytical devices is derived, based on differential equations describing the motion of fluids by pressure sources and EOF, the transport of charged chemical species, and the electric potential distribution. The porous medium created by the cellulose fibers is considered like a network of tortuous capillaries and represented by macroscopic parameters following an effective medium approach. The equations are obtained starting from their open-channel counterparts, applying scaling laws and, where necessary, including additional terms. With this approach, effective parameters are derived, describing diffusion, mobility, and conductivity for porous media. While the foundations of these phenomena can be found in previous reports, here, all the contributions are analyzed systematically and provided in a comprehensive way. Moreover, a novel electrophoretically driven dispersive transport mechanism in porous materials is proposed. Results of the numerical implementation of the mathematical model are compared with experimental data, showing good agreement and supporting the validity of the proposed model. Finally, the model succeeds in simulating a challenging case of free-flow electrophoresis in paper, involving capillary flow and electrophoretic transport developed in a 2D geometry.Abbreviations: EDMSD, electrophoretically driven mechanical solute dispersion; µPAD, microfluidic paper-based analytical device; FEM, finite element method; FFE, free-flow\penalty -\@M electrophoresis; FFEIEF, free-flow IEF; FVM, finite volume method; FWHM, full width at half maximum; LE, leading electrolyte; PDE, partial differential equation; TE, trailing electrolyte; ZE, zone electrophoresis of glass, silicon, or polymers [7,8]. The evolution of the open-channel electrophoresis was followed by proper mathematical descriptions of the involved phenomena, required for deep understanding of the methods, for prediction of the outcome of experiments, and for rational design of novel electrophoretic devices [9]. 1D CZE, ITP, and IEF problems where successfully modeled using nonlinear partial differential equations (PDE) describing the charge and mass conservation principles [10]. By using this approach, several software tools have been developed to simulate specific 1D problems [11][12][13]. Improvements to these models were reported in the past decade, appealing to more complex formulations for particular physicochemical conditions [14], and electrically driven flows [15]. Furthermore, particular applications like IEF in nano-channels [16], 2D IEF [17,18], free-flow IEF (FFIEF) [19], and even FFIEF combined with CZE in a 2D lab-on-a-chip device [20] were successfully modeled with computational tools based on the finite element (FEM) or finite volume (FVM) methods. Also, a commercial Color online: See article online to view Figs. 2 and 3 in color.

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Mathematical and numerical model to study two-dimensional free flow isoelectric focusing

Cited by 8 publications

References 28 publications

Effect of Joule heating on isoelectric focusing of proteins in a microchannel

Effect of Joule heating on isoelectric focusing of proteins in a microchannel

Dynamic computer simulations of electrophoresis: 2010–2020

Comprehensive model of electromigrative transport in microfluidic paper based analytical devices

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