Effects Of Spherical Fullerene Nanoparticles On A Dipalmitoyl Phosphatidylcholine Lipid Monolayer: A Coarse Grain Molecular Dynamics Approach

DSpace/Manakin Repository

Effects Of Spherical Fullerene Nanoparticles On A Dipalmitoyl Phosphatidylcholine Lipid Monolayer: A Coarse Grain Molecular Dynamics Approach

Show full item record

Title: Effects Of Spherical Fullerene Nanoparticles On A Dipalmitoyl Phosphatidylcholine Lipid Monolayer: A Coarse Grain Molecular Dynamics Approach
Author(s):
Chiu, Chi-cheng;
Shinoda, W.;
DeVane, R. H.;
Nielsen, Steven O. (UT Dallas)
Format: Text
Item Type: Article
Keywords: Show Keywords
Abstract: The effect of carbon-based nanoparticles (CNPs) on biological systems is currently of great concern. Yet, few experimental techniques are capable of directly imaging and probing the energetics of such nano-bio systems. Here, we use coarse grain molecular dynamics simulations to study spherical fullerene molecules interacting with dipalmitoyl phosphatidylcholine (DPPC) lipid membranes. Using free energy calculations we show that all the tested fullerene molecules can spontaneously diffuse into both a lipid bilayer and a lipid monolayer. In addition, we establish that large fullerene molecules tend to partition preferentially into bilayers, which affects the lipid monolayer-to-bilayer transition during the respiration cycle. Our results identify a possible CNP perturbation to the function of the pulmonary monolayer membrane and suggest a potential pathway for CNP entry into the body through lung inhalation.
Publisher: Royal Society of Chemistry
ISSN: 1744-683X
Persistent Link: http://hdl.handle.net/10735.1/3161
http://dx.doi.org/10.1039/C2SM26357B
Terms of Use: © 2012 The Royal Society of Chemistry. Further distribution is prohibited.

Files in this item

Files Size Format View
NSM-FR-Nielsen-310502.64.pdf 1.385Mb PDF View/Open

This item appears in the following Collection(s)


Show full item record