dorsal/arxiv
View SchemaElectric field-controlled water permeation coupled to ion transport through a nanopore
| Authors | J. Dzubiella, R. J. Allen, J. -P. Hansen |
|---|---|
| Categories | |
| ArXiv ID | physics/0305135 |
| URL | https://arxiv.org/abs/physics/0305135 |
| DOI | 10.1063/1.1665656 |
| Journal | Journal of Chemical Physics 120, 5001 (2004) |
Abstract
We report Molecular Dynamics (MD) simulations of a generic hydrophobic nanopore connecting two reservoirs which are initially at different Na+ concentrations, as in a biological cell. The nanopore is impermeable to water under equilibrium conditions, but the strong electric field caused by the ionic concentration gradient drives water molecules in. The density and structure of water in the pore are highly field dependent. In a typical simulation run, we observe a succession of cation passages through the pore, characterized by approximately bulk mobility. These ion passages reduce the electric field, until the pore empties of water and closes to further ion transport, thus providing a possible mechanism for biological ion channel gating.
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"abstract": "We report Molecular Dynamics (MD) simulations of a generic hydrophobic\nnanopore connecting two reservoirs which are initially at different Na+\nconcentrations, as in a biological cell. The nanopore is impermeable to water\nunder equilibrium conditions, but the strong electric field caused by the ionic\nconcentration gradient drives water molecules in. The density and structure of\nwater in the pore are highly field dependent. In a typical simulation run, we\nobserve a succession of cation passages through the pore, characterized by\napproximately bulk mobility. These ion passages reduce the electric field,\nuntil the pore empties of water and closes to further ion transport, thus\nproviding a possible mechanism for biological ion channel gating.",
"arxiv_id": "physics/0305135",
"authors": [
"J. Dzubiella",
"R. J. Allen",
"J. -P. Hansen"
],
"categories": [
"physics.bio-ph",
"physics.chem-ph"
],
"doi": "10.1063/1.1665656",
"journal_ref": "Journal of Chemical Physics 120, 5001 (2004)",
"title": "Electric field-controlled water permeation coupled to ion transport through a nanopore",
"url": "https://arxiv.org/abs/physics/0305135"
},
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