title: Pore formation coupled to ion transport through lipid membranes as induced by transmembrane ionic charge imbalance: atomistic molecular dynamics study.
abstract: We have employed atomic-scale molecular dynamics simulations to address ion transport through transient water pores in phospholipid membranes. The formation of a water pore is induced by a transmembrane ionic charge imbalance, which gives rise to a significant potential difference across the membrane. The subsequent transport of ions through the pore discharges the transmembrane potential and makes the water pore metastable, leading eventually to its sealing. The findings highlight the importance of ionic charge fluctuations in spontaneous pore formation and their role in ion leakage through protein-free lipid membranes.
authors.affiliation: Laboratory of Physics and Helsinki Institute of Physics, Helsinki University of Technology, P.O. Box 1100, FI-02015 HUT, Finland. agu@fyslab.hut.fi
authors.forename: Andrey A
authors.initials: AA
authors.lastname: Gurtovenko
authors.forename: Ilpo
authors.initials: I
authors.lastname: Vattulainen
mesh_terms: D003198:Computer Simulation; D004134:Dimyristoylphosphatidylcholine / Q000737:chemistry* / Q000378:metabolism; D006859:Hydrogen / Q000737:chemistry / Q000378:metabolism; D017136:Ion Transport; D008051:Lipid Bilayers / Q000737:chemistry* / Q000378:metabolism; D008564:Membrane Potentials; D012964:Sodium / Q000737:chemistry / Q000378:metabolism; D055672:Static Electricity; D013816:Thermodynamics; D014867:Water / Q000737:chemistry / Q000378:metabolism
chemical_list: D008051:Lipid Bilayers; D014867:Water; D006859:Hydrogen; D012964:Sodium; D004134:Dimyristoylphosphatidylcholine