Show simple item record

dc.contributor.authorChiu, Chi-chengen_US
dc.contributor.authorShinoda, W.en_US
dc.contributor.authorDeVane, R. H.en_US
dc.contributor.authorNielsen, Steven O.en_US
dc.date.accessioned2014-03-14T22:37:39Z
dc.date.available2014-03-14T22:37:39Z
dc.date.created2012-07-30en_US
dc.date.issued2012-07-30en_US
dc.identifier.issn1744-683Xen_US
dc.identifier.urihttp://hdl.handle.net/10735.1/3161
dc.description.abstractThe 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.en_US
dc.language.isoenen_US
dc.publisherRoyal Society of Chemistryen_US
dc.relation.urihttp://dx.doi.org/10.1039/C2SM26357B
dc.rights©2012 The Royal Society of Chemistry. Further distribution is prohibited.en_US
dc.sourceSoft Matter
dc.subjectSurfactant peptide sp-b1-25en_US
dc.subjectCarbon nanotubesen_US
dc.subjectPulmonary surfactanten_US
dc.subjectToxicologyen_US
dc.subjectSimulationsen_US
dc.subjectPhysicsen_US
dc.subjectLipid monolayeren_US
dc.subjectFullerineen_US
dc.titleEffects Of Spherical Fullerene Nanoparticles On A Dipalmitoyl Phosphatidylcholine Lipid Monolayer: A Coarse Grain Molecular Dynamics Approachen_US
dc.typeTexten_US
dc.type.genreArticleen_US
dc.identifier.bibliographicCitationChiu, Chi-cheng, Wataru Shinoda, Russell H. DeVane, and Steven O. Nielsen. 2012. "Effects of spherical fullerene nanoparticles on a dipalmitoyl phosphatidylcholine lipid monolayer: a coarse grain molecular dynamics approach." Soft Matter 8(37): 9610-9616.en_US
dc.identifier.volume8en_US
dc.identifier.issue37en_US
dc.contributor.utdAuthorNielsen, Steven O.en_US


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record