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The interaction of C60 and its derivatives with a lipid bilayer via molecular dynamics simulations.

Abstract:
Coarse-grained molecular dynamics simulations have been used to explore the interactions of C(60) and its derivatives with lipid bilayers. Pristine C(60) partitions into the bilayer core, whilst C(60)(OH)(20) experiences a central energetic barrier to permeation across the bilayer. For intermediate levels of derivatization, e.g. C(60)(OH)(10), this central barrier is smaller and there is an energetic well at the bilayer/water interface, thus promoting entry into cells via bilayer permeation whilst maintaining solubility in water.
Publication status:
Published

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Authors


D'Rozario, RS More by this author
Wallace, EJ More by this author
Sansom, MS More by this author
Journal:
Nanotechnology
Volume:
20
Issue:
11
Pages:
115102
Publication date:
2009-03-05
DOI:
EISSN:
1361-6528
ISSN:
0957-4484
URN:
uuid:2c744ce5-2975-40e5-8bae-f0784c896f79
Source identifiers:
100780
Local pid:
pubs:100780

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