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Title: Structure and Phase Transformations of DPPC Lipid Bilayers in thePresence of Nanoparticles: Insights from Coarse-Grained Molecular Dynamics Simulations
Authors: Prates Ramalho, João Paulo
Gkeka, Paraschiva
Sarkisov, Lev
Issue Date: 2011
Publisher: ACS Publications
Citation: J. P. Prates Ramalho,P. Gkeka and L. Sarkisov, Langmuir 2011, 27, 3723–3730
Abstract: In this article, we investigate fluid-gel transformations of a DPPC lipid bilayer in the presence of nanoparticles, using coarse grained molecular dynamics. Two types of nanoparticles are considered, specifically a 3 nm hydrophobic nanoparticle located in the core of the bilayer and a 6 nm charged nanoparticle located at the interface between the bilayer and water phase. Both negatively and positively charged nanoparticles at the bilayer interface are investigated. We demonstrate that the presence of all types of nanoparticles induces disorder effects in the structure of the lipid bilayer. These effects are characterized using computer visualization of the gel phase in the presence of nanoparticles, radial distribution functions, and order parameters. The 3 nm hydrophobic nanoparticle immersed in the bilayer core and the positively charged nanoparticle at the bilayer surface have no effect on the temperature of the fluid-gel transformation, compared to the bulk case. Interestingly, a negatively charged hydrophobic nanoparticle located at the surface of the bilayer causes slight shift of the fluid-gel transformation to a lower temperature, compared to the bulk bilayer case.
Type: article
Appears in Collections:QUI - Publicações - Artigos em Revistas Internacionais Com Arbitragem Científica
CGE - Publicações - Artigos em Revistas Internacionais Com Arbitragem Científica

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