Imperial College London
Professor Nick Quirke

ProfessorNickQuirke

Faculty of Natural Sciences, Department of Chemistry

Emeritus Professor
 
 
 
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Contact

 

+44 (0)20 7594 5844n.quirke

 
 
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Location

 

Molecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Citation

BibTex format

@article{Schneemilch:2019:10.1063/1.5120810,
author = {Schneemilch, M and Quirke, N},
doi = {10.1063/1.5120810},
journal = {Journal of Chemical Physics},
title = {Free energy of adhesion of lipid bilayers on titania surfaces},
url = {http://dx.doi.org/10.1063/1.5120810},
volume = {151},
year = {2019}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - 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.
AU  - Schneemilch,M
AU  - Quirke,N
DO  - 10.1063/1.5120810
PY  - 2019///
SN  - 0021-9606
TI  - Free energy of adhesion of lipid bilayers on titania surfaces
T2  - Journal of Chemical Physics
UR  - http://dx.doi.org/10.1063/1.5120810
UR  - https://www.ncbi.nlm.nih.gov/pubmed/31594325
UR  - http://hdl.handle.net/10044/1/74128
VL  - 151
ER  -
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