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
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
- OpenAlex
- W2040923822
- Cited by
- 289
- References
- 24
- FWCI
- 12.63
- Type
- journal article
- Language
- en
- Open access
- closed
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- Beckstein, O., Biggin, P. C., & Sansom, M. S. P. (2001). A Hydrophobic Gating Mechanism for Nanopores. The Journal of Physical Chemistry B. https://doi.org/10.1021/jp012233y
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