Free energy of adhesion of lipid bilayers on titania surfaces
File(s)
Published version
Author(s)
Schneemilch, M
Quirke, N
Type
Journal Article
Abstract
The adhesion strength between a flexible membrane and a solid substrate (formally the free energy of adhesion per unit area) is difficult to determine experimentally, yet is a key parameter in determining the extent of the wrapping of a particle by the membrane. Here, we present molecular dynamics simulations designed to estimate this quantity between dimyristoylphosphatidylcholine (DMPC) bilayers and a range of low-energy titanium dioxide cleavage planes for both anatase and rutile polymorphs. The average adhesion strength across the cleavage planes for rutile and anatase is relatively weak ∼-2.0 ± 0.4 mN m-1. However, rutile has two surfaces (100 and 101) displaying relatively strong adhesion (-4 mN m-1), while anatase has only one (110). This suggests a slightly greater tendency for bilayers to wrap rutile particles compared to anatase particles but both would wrap less than amorphous silica. We also estimate the adsorption free energies of isolated DMPC lipids and find that only the rutile 101 surface shows significant adsorption. In addition, we estimate the adhesion enthalpies and infer that the entropic contribution to the adhesion free energy drives adhesion on the rutile surfaces and opposes adhesion on the anatase surfaces.
Date Issued
2019-10-07
Date Acceptance
2019-09-09
Citation
Journal of Chemical Physics, 2019, 151 (13)
ISSN
0021-9606
Publisher
AIP Publishing
Journal / Book Title
Journal of Chemical Physics
Volume
151
Issue
13
Copyright Statement
© 2019 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in J. Chem. Phys. 151, 134707 (2019); https://doi.org/10.1063/1.5120810 and may be found at https://doi.org/10.1063/1.5120810.
Sponsor
Commission of the European Communities
Commission of the European Communities
Identifier
https://www.ncbi.nlm.nih.gov/pubmed/31594325
Grant Number
686098
686098
Subjects
02 Physical Sciences
03 Chemical Sciences
09 Engineering
Chemical Physics
Publication Status
Published
Coverage Spatial
United States
Article Number
134707
Date Publish Online
2019-10-03