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Translocation mechanism of C-60 and C-60 derivations across a cell membrane
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
2016 (English)In: Journal of nanoparticle research, ISSN 1388-0764, E-ISSN 1572-896X, Vol. 18, no 11Article in journal (Refereed) Published
Abstract [en]

Carbon-based nanoparticles (NPs) such as fullerenes and nanotubes have been extensively studied for drug delivery in recent years. The permeation process of fullerene and its derivative molecules through membrane is essential to the utilization of fullerene-based drug delivery system, but the mechanism and the dynamics of permeation through cell membrane are still unclear. In this study, coarse-grained molecular dynamics simulations were performed to investigate the permeation process of functionalized fullerene molecules (ca. 0.72 nm) through the membrane. Our results show that single functionalized fullerene molecule in such nanoscale could permeate the lipid membrane in micro-second time scale. Pristine C-60 molecules prefer to aggregate into several small clusters while C60OH15 molecules could aggregate into one big cluster to permeate through the lipid membrane. After permeation of C-60 or its derivatives into membrane, all C-60 and C60OH15 molecules disaggregated and monodispersed in the lipid membrane.

Place, publisher, year, edition, pages
Springer, 2016. Vol. 18, no 11
Keyword [en]
Nanoparticles, Carbon materials, Cytotoxicity, Molecular dynamics simulation
National Category
URN: urn:nbn:se:kth:diva-198573DOI: 10.1007/s11051-016-3647-zISI: 000388221900004OAI: diva2:1057711

QC 20161219

Available from: 2016-12-19 Created: 2016-12-19 Last updated: 2016-12-19Bibliographically approved

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Liang, Lijun
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