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Cited by 289

The DOI matches its Crossref record; 24 of the 24 references it cites were found in a registry or an index.

A Hydrophobic Gating Mechanism for Nanopores

Beckstein, Oliver, Biggin, Philip C., Sansom, Mark S. P.·2001·The Journal of Physical Chemistry B
DOI 10.1021/jp012233y
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Abstract

Water-filled pores of nanometer dimensions play important roles in chemistry and biology, e.g., as channels through biological membranes. Biological nanopores are frequently gated, i.e., they switch between an open and a closed state. In several ion channel structures the gate is formed by a ring of hydrophobic side chains that do not physically occlude the pore. Here we investigate whether a hydrophobic pore can act as a gate via molecular dynamics simulations of the passage of water through atomistic models of nanopores embedded within a membrane mimetic. Both the geometry of a nanopore and the hydrophilicity vs hydrophobicity of its lining determine whether water enters the channel. For purely hydrophobic pores there is an abrupt transition from a closed state (no water in the pore cavity) to an open state (cavity water at approximately bulk density) once a critical pore radius is exceeded. This critical radius depends on the length of the pore and the radius of the mouth region. Furthermore, a closed hydrophobic nanopore can be opened by adding dipoles to its lining.

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Metadata

Authors
Beckstein, O., Biggin, P. C., & Sansom, M. S. P.
Venue
The Journal of Physical Chemistry B
Publisher
American Chemical Society (ACS)
Published
2001-12-01
Volume
105
Issue
51
Pages
12902-12905
ISSN
  • 1520-5207 (ISSN-L)
  • 1520-6106
DOI
10.1021/jp012233y
OpenAlex
W2040923822
Cited by
289
References
24
FWCI
12.63
Type
journal article
Language
en
Open access
closed

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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.

Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

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