Molecular Dynamics Simulations of Ion Conductance in Field-Stabilized Nanoscale Lipid Electropores

Document Type

Article

Publication Date

2013

Publication Title

Journal of Physical Chemistry B

Volume

117

Issue

39

Pages

11633-40

DOI

10.1021/jp401722g

Abstract

Molecular dynamics (MD) simulations of electrophoretic transport of monovalent ions through field-stabilized electropores in POPC lipid bilayers permit systematic characterization of the conductive properties of lipid nanopores. The radius of the electropore can be controlled by the magnitude of the applied sustaining external electric field, which also drives the transport of ions through the pore. We examined pore conductances for two monovalent salts, NaCl and KCl, at physiological concentrations. Na(+) conductance is significantly less than K(+) and Cl(-) conductance and is a nonlinear function of pore radius over the range of pore radii investigated. The single pore electrical conductance of KCl obtained from MD simulation is comparable to experimental values measured by chronopotentiometry.

Original Publication Citation

Ho, M.-C., Casciola, M., Levine, Z. A., & Vernier, P. T. (2013). Molecular dynamics simulations of ion conductance in field-stabilized nanoscale lipid electropores. Journal of Physical Chemistry B, 117(39), 11633-11640. doi: 10.1021/jp401722g

ORCID

0000-0003-2335-1500 (Vernier)

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