A POISSON-NERNST-PLANCK MODEL FOR BIOLOGICAL ION CHANNELS-AN ASYMPTOTIC ANALYSIS IN A THREE-DIMENSIONAL NARROW FUNNEL

被引:84
作者
Singer, A. [1 ,2 ]
Norbury, J. [3 ]
机构
[1] Princeton Univ, Dept Math, Princeton, NJ 08544 USA
[2] Princeton Univ, PACM, Princeton, NJ 08544 USA
[3] Univ Oxford, Math Inst, OCIAM, Oxford OX1 3LB, England
关键词
ion channels; Poisson-Nernst-Planck; singular perturbations; boundary layers; current-voltage relations; SINGULAR PERTURBATION ANALYSIS; BROWNIAN DYNAMICS; SEMICONDUCTOR-DEVICE; MOLECULAR-DYNAMICS; CALCIUM-CHANNELS; OMPF PORIN; SELECTIVITY; PERMEATION; EQUATIONS; SIMULATION;
D O I
10.1137/070687037
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
We wish to predict ionic currents that flow through narrow protein channels of biological membranes in response to applied potential and concentration differences across the channel when some features of channel structure are known. We propose to apply singular perturbation analysis to the coupled Poisson-Nernst-Planck equations, which are the basic continuum model of ionic permeation and semiconductor physics. In semiconductor physics the problem is a singular perturbation, because the ratio of the Debye length to the width of the channel is a very small parameter that multiplies the Laplacian term in the Poisson equation. In contrast to semiconductors, the atomic scale geometry of narrow ion channels sometimes makes this ratio a large parameter, which, surprisingly, renders the problem a singular perturbation in a different sense. We construct boundary layers and match them asymptotically across the different regions of the channel to derive good approximations for Fick's and Ohm's laws. Our aim is to extend the asymptotic analysis to a class of nonlinear problems hitherto intractable. Analytical and numerical results for the mass flux and the electric current serve as a tool for molecular biophysicists and physiologists to understand, study, and control protein channels, thereby aiding clinical and technological applications.
引用
收藏
页码:949 / 968
页数:20
相关论文
共 41 条
[1]  
[Anonymous], J COMPUT ELECT
[2]  
[Anonymous], ION CHANNELS DIS
[3]   Qualitative properties of steady-state Poisson-Nernst-Planck systems: Perturbation and simulation study [J].
Barcilon, V ;
Chen, DP ;
Eisenberg, RS ;
Jerome, JW .
SIAM JOURNAL ON APPLIED MATHEMATICS, 1997, 57 (03) :631-648
[4]  
BARTHEL JMG, 1998, PHYS CHEM ELECTROLYT
[5]  
CHAPMAN J, 2005, 5 MATH MED STUDY GRO
[6]   CHARGES, CURRENTS, AND POTENTIALS IN IONIC CHANNELS OF ONE CONFORMATION [J].
CHEN, DP ;
EISENBERG, R .
BIOPHYSICAL JOURNAL, 1993, 64 (05) :1405-1421
[7]   Reservoir boundaries in Brownian dynamics simulations of ion channels [J].
Corry, B ;
Hoyles, M ;
Allen, TW ;
Walker, M ;
Kuyucak, S ;
Chung, SH .
BIOPHYSICAL JOURNAL, 2002, 82 (04) :1975-1984
[8]  
Doyle E., 1998, Inform, V9, P69
[9]  
Durand-Vidal S., 2000, ELECTROLYTES INTERFA
[10]   Ionic channels in biological membranes - electrostatic analysis of a natural nanotube [J].
Eisenberg, B .
CONTEMPORARY PHYSICS, 1998, 39 (06) :447-466