Beyond the Poisson-Nernst-Planck Model: The Impacts of Ion Specificity and Electrostatic Correlations on Biological Systems

超越泊松-能斯特-普朗克模型：离子特异性和静电相关性对生物系统的影响

• 批准号: 8957839
• 负责人: Hui Zhao
• 金额: $ 34.84万
• 依托单位: UNIVERSITY OF NEVADA LAS VEGAS
• 依托单位国家: 美国
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-09-15 至 2019-08-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8957839
• 关键词: Accounting; Behavior; Biological; Biology; Cations; Charge; Chemicals; Clinical; Controlled Study; DNA; Data; Dependence; Devices; Diagnostic Procedure; Drug Delivery Systems; Electrolytes; Electrostatics; Employee Strikes; Engineering; Equilibrium; Experimental Designs; Foundations; Hand; Health Care Costs; Ion Channel; Ion Transport; Ions; Knowledge; Lead; Literature; Measures; Mediating; Miniaturization; Modeling; Molecular; Outcomes Research; Physical condensation; Physics; Reporting; Research; Role; Salts; Sodium Chloride; Solid; Solutions; Specificity; Surface; System; Techniques; Technology; Testing; Theoretical model; Thermodynamics; Work; base; biological systems; density; design; electric field; gene therapy; improved; innovation; interest; ion dynamics; micro-total analysis system; nanoscale; novel; public health relevance; research study; theories; tool

 DESCRIPTION: The classical Poisson-Nernst-Planck (PNP) model of electrolyte solutions has been widely used in biological systems to not only explain experiments but also go beyond to provide a rational design tool for lab- on-a-chip devices. However, many experiments contradict this picture for high salt concentrations, in particular, with multivalent ions, and high surface potentials: there are a significant number of striking qualitative discrepancies between experiments and the PNP model. For example, at high concentrations and high potentials, in the presence of multivalent ions, a reversal of electrophoretic mobility of DNA molecules, the attraction between similarly charged surfaces, flow disappearance, and salt dependence were widely reported in literature. All these observations cannot be captured by the PNP model. Clearly, key physical ingredients are missed in the classical PNP model for the case of high salts and high surface potentials. Consider that in biologically relevant applications, the electrolyte has a high concentration and contains multivalent cations. A new model capturing the missing key physics is necessary to bridge the knowledge gap. Ion specificity and electrostatic correlations are prominent at high salts and high surface potentials. The PNP model assumes that ions are point charges with no volume and interact electrostatically only. The PNP model cannot account for ion specificity and electrostatic correlations. Hence, the specific aims of this application are (1) Go beyond the PNP model and develop a simple local continuum model by integrating ion specificity and electrostatic correlations with non-equilibrium thermodynamic principles; (2) Employ this new model to understand the dynamics of electrolytes at high salt concentrations and high surface potentials, more specifically, advance the fundamental knowledge of electrostatic interactions, and bridge the striking discrepancies between experiments and the existing theoretical model. The developed continuum model will serve as a tool for molecular biophysicists and physiologists to understand, study, and control electrostatic interactions ubiquitously in biology, therefore aiding relevant clinical and technological applications.



项目成果

The effects of electrostatic correlations on the ionic current rectification in conical nanopores

静电关联对圆锥形纳米孔离子电流整流的影响

• DOI: 10.1002/elps.201900127
• 发表时间: 2019
• 期刊: ELECTROPHORESIS
• 影响因子: 2.9
• 作者: Alidoosti, Elaheh;Zhao, Hui
• 通讯作者: Zhao, Hui

On the Impact of Electrostatic Correlations on the Double-Layer Polarization of a Spherical Particle in an Alternating Current Field.

• DOI: 10.1021/acs.langmuir.8b00855
• 发表时间: 2018-05-15
• 期刊: Langmuir : the ACS journal of surfaces and colloids
• 作者: Alidoosti E;Zhao H
• 通讯作者: Zhao H