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Comparative atomic-scale hydration of the ceramide and phosphocholine headgroup in solution and bilayer environments

Comparative atomic-scale hydration of the ceramide and phosphocholine headgroup in solution and bilayer environments
Comparative atomic-scale hydration of the ceramide and phosphocholine headgroup in solution and bilayer environments

Previous studies have used neutron diffraction to elucidate the hydration of the ceramide and the phosphatidylcholine headgroup in solution. These solution studies provide bond-length resolution information on the system, but are limited to liquid samples. The work presented here investigates how the hydration of ceramide and phosphatidylcholine headgroups in a solution compares with that found in a lipid bilayer. This work shows that the hydration patterns seen in the solution samples provide valuable insight into the preferential location of hydrating water molecules in the bilayer. There are certain subtle differences in the distribution, which result from a combination of the lipid conformation and the lipid-lipid interactions within the bilayer environment. The lipid-lipid interactions in the bilayer will be dependent on the composition of the bilayer, whereas the restricted exploration of conformational space is likely to be applicable in all membrane environments. The generalized description of hydration gathered from the neutron diffraction studies thus provides good initial estimation for the hydration pattern, but this can be further refined for specific systems.

0021-9606
Gillams, Richard J.
89341fe4-db94-4d27-a5be-c092e2e8de5b
Lorenz, Christian D.
080b1193-25c1-49da-968a-ef522fdbec59
McLain, Sylvia E.
f0b6c048-e499-4eca-801e-359ac928f502
Gillams, Richard J.
89341fe4-db94-4d27-a5be-c092e2e8de5b
Lorenz, Christian D.
080b1193-25c1-49da-968a-ef522fdbec59
McLain, Sylvia E.
f0b6c048-e499-4eca-801e-359ac928f502

Gillams, Richard J., Lorenz, Christian D. and McLain, Sylvia E. (2016) Comparative atomic-scale hydration of the ceramide and phosphocholine headgroup in solution and bilayer environments. Journal of Chemical Physics, 144 (22), [225101]. (doi:10.1063/1.4952444).

Record type: Article

Abstract

Previous studies have used neutron diffraction to elucidate the hydration of the ceramide and the phosphatidylcholine headgroup in solution. These solution studies provide bond-length resolution information on the system, but are limited to liquid samples. The work presented here investigates how the hydration of ceramide and phosphatidylcholine headgroups in a solution compares with that found in a lipid bilayer. This work shows that the hydration patterns seen in the solution samples provide valuable insight into the preferential location of hydrating water molecules in the bilayer. There are certain subtle differences in the distribution, which result from a combination of the lipid conformation and the lipid-lipid interactions within the bilayer environment. The lipid-lipid interactions in the bilayer will be dependent on the composition of the bilayer, whereas the restricted exploration of conformational space is likely to be applicable in all membrane environments. The generalized description of hydration gathered from the neutron diffraction studies thus provides good initial estimation for the hydration pattern, but this can be further refined for specific systems.

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More information

Accepted/In Press date: 1 May 2016
Published date: 8 June 2016

Identifiers

Local EPrints ID: 434340
URI: http://eprints.soton.ac.uk/id/eprint/434340
ISSN: 0021-9606
PURE UUID: 21e732ad-69e4-4bcf-bd81-c3ddcfefbd36
ORCID for Richard J. Gillams: ORCID iD orcid.org/0000-0002-8597-8723

Catalogue record

Date deposited: 20 Sep 2019 16:30
Last modified: 07 Oct 2020 02:15

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