The DOI matches its Crossref record; 75 of the 75 references it cites were found in a registry or an index.
Calculation of the dielectric permittivity profile for a nonuniform system: Application to a lipid bilayer simulation
Abstract
We derive an expression relating the static dielectric permittivity profile for a system nonuniform in one dimension to correlations between the net system dipole moment and the local polarization density. The permittivity profile of a dipalmitoylphosphatidylcholine (DPPC) lipid bilayer in water is calculated from an all-atom 20-ns molecular dynamics simulation. The component of the permittivity parallel to the bilayer shows a nonmonotonic decrease from the value in bulk water to the value in the membrane interior; the interfacial region itself has a very large permittivity, greater than that of bulk water. In high-dielectric regions, obtaining a quantitative estimate of the component normal to the bilayer is not possible because of large numerical uncertainty. However, the calculated correlation function is consistent with a value for the interface at least as large as that of bulk water. In general, the transition to a low-dielectric environment is sharp and is located on the inner border of the region where there is significant probability of finding the polar head groups.
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Metadata
- Authors
- Stern, H. A., & Feller, S. E.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2003-02-15
- Volume
- 118
- Issue
- 7
- Pages
- 3401-3412
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2031430636
- Cited by
- 271
- References
- 75
- FWCI
- 3.54
- Type
- journal article
- Language
- en
- Open access
- closed
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