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Int. J. Mol. Sci. 2013, 14(8), 15312-15329; doi:10.3390/ijms140815312
Article

Interaction between Dipolar Lipid Headgroups and Charged Nanoparticles Mediated by Water Dipoles and Ions

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Received: 10 April 2013 / Revised: 24 May 2013 / Accepted: 25 June 2013 / Published: 24 July 2013
(This article belongs to the Special Issue Computational Modelling of Biological Membranes)
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Abstract

In this work, a theoretical model describing the interaction between a positivelyor negatively charged nanoparticle and neutral zwitterionic lipid bilayers is presented. It isshown that in the close vicinity of the positively charged nanoparticle, the zwitterionic lipidheadgroups are less extended in the direction perpendicular to the membrane surface, whilein the vicinity of the negatively charged nanoparticle, the headgroups are more extended.This result coincides with the calculated increase in the osmotic pressure between the zwitterionic lipid surface and positively charged nanoparticle and the decrease of osmoticpressure between the zwitterionic lipid surface and the negatively charged nanoparticle.Our theoretical predictions agree well with the experimentally determined fluidity of alipid bilayer membrane in contact with positively or negatively charged nanoparticles. Theprospective significance of the present work is mainly to contribute to better understandingof the interactions of charged nanoparticles with a zwitterionic lipid bilayer, which may beimportant in the efficient design of the lipid/nanoparticle nanostructures (like liposomes withencapsulated nanoparticles), which have diverse biomedical applications, including targetedtherapy (drug delivery) and imaging of cancer cells.
Keywords: charged nanoparticles; lipids; osmotic pressure; dipolar zwitterionicheadgroups; relative permittivity of water; orientational ordering charged nanoparticles; lipids; osmotic pressure; dipolar zwitterionicheadgroups; relative permittivity of water; orientational ordering
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Velikonja, A.; Santhosh, P.B.; Gongadze, E.; Kulkarni, M.; Eleršič, K.; Perutkova, Š.; Kralj-Iglič, V.; Ulrih, N.P.; Iglič, A. Interaction between Dipolar Lipid Headgroups and Charged Nanoparticles Mediated by Water Dipoles and Ions. Int. J. Mol. Sci. 2013, 14, 15312-15329.

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