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Minimum free energy paths for a nanoparticle crossing the lipid membrane

Ting, Christina L. and Wang, Zhen-Gang (2012) Minimum free energy paths for a nanoparticle crossing the lipid membrane. Soft Matter, 8 (48). pp. 12066-12071. ISSN 1744-683X. doi:10.1039/c2sm26377g. https://resolver.caltech.edu/CaltechAUTHORS:20121220-114824437

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Abstract

Within self-consistent field theory, we develop an “on-the-fly” string method to compute the minimum free energy path for several activated processes involving a charged, solvophobic nanoparticle and a lipid membrane. Under tensions well below the mechanical stability limit of the membrane, and in the regime where the event can occur on experimentally relevant time scales, our study suggests that there can be at least three competing pathways for crossing the membrane: (1) particle-assisted membrane rupture, (2) particle insertion into a metastable pore followed by translocation and membrane resealing, and (3) particle insertion into a metastable pore followed by membrane rupture. In the context of polymer-based gene delivery systems, we discuss the implications of these results for the endosomal escape mechanism.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1039/c2sm26377gDOIUNSPECIFIED
http://pubs.rsc.org/en/Content/ArticleLanding/2012/SM/c2sm26377gPublisherUNSPECIFIED
ORCID:
AuthorORCID
Wang, Zhen-Gang0000-0002-3361-6114
Additional Information:© 2012 Royal Society of Chemistry. Received 13th June 2012; accepted 14th September 2012. First published on the web 10 Oct 2012. The authors would like to thank Daniel Appelö for many helpful discussions. This work was supported by the Joseph J. Jacobs Institute for Molecular Engineering for Medicine and by a Sandia National Laboratory Fellowship to C.L.T. The computing facility on which the calculations were performed is supported by an NSF-MRI grant, Award no. CHE-1040558.
Funders:
Funding AgencyGrant Number
Joseph J. Jacobs Institute for Molecular Engineering for MedicineUNSPECIFIED
Sandia National Laboratory FellowshipUNSPECIFIED
NSF-MRI grantCHE-1040558
Issue or Number:48
DOI:10.1039/c2sm26377g
Record Number:CaltechAUTHORS:20121220-114824437
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20121220-114824437
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:36078
Collection:CaltechAUTHORS
Deposited By: Jason Perez
Deposited On:20 Dec 2012 22:04
Last Modified:09 Nov 2021 23:19

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