Organization of lipids in the tear film: a molecular-level view.
Biophysical properties of the tear film lipid layer are studied at the molecular level employing coarse grain molecular dynamics (MD) simulations with a realistic model of the human tear film. In this model, polar lipids are chosen to reflect the current knowledge on the lipidome of the tear film wh...
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doaj-0ed14010222c45a5aa881a7996176fd72020-11-24T21:54:19ZengPublic Library of Science (PLoS)PLoS ONE1932-62032014-01-0193e9246110.1371/journal.pone.0092461Organization of lipids in the tear film: a molecular-level view.Alicja WizertD Robert IskanderLukasz CwiklikBiophysical properties of the tear film lipid layer are studied at the molecular level employing coarse grain molecular dynamics (MD) simulations with a realistic model of the human tear film. In this model, polar lipids are chosen to reflect the current knowledge on the lipidome of the tear film whereas typical Meibomian-origin lipids are included in the thick non-polar lipids subphase. Simulation conditions mimic those experienced by the real human tear film during blinks. Namely, thermodynamic equilibrium simulations at different lateral compressions are performed to model varying surface pressure, and the dynamics of the system during a blink is studied by non-equilibrium MD simulations. Polar lipids separate their non-polar counterparts from water by forming a monomolecular layer whereas the non-polar molecules establish a thick outermost lipid layer. Under lateral compression, the polar layer undulates and a sorting of polar lipids occurs. Moreover, formation of three-dimensional aggregates of polar lipids in both non-polar and water subphases is observed. We suggest that these three-dimensional structures are abundant under dynamic conditions caused by the action of eye lids and that they act as reservoirs of polar lipids, thus increasing stability of the tear film.http://europepmc.org/articles/PMC3961367?pdf=render |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Alicja Wizert D Robert Iskander Lukasz Cwiklik |
spellingShingle |
Alicja Wizert D Robert Iskander Lukasz Cwiklik Organization of lipids in the tear film: a molecular-level view. PLoS ONE |
author_facet |
Alicja Wizert D Robert Iskander Lukasz Cwiklik |
author_sort |
Alicja Wizert |
title |
Organization of lipids in the tear film: a molecular-level view. |
title_short |
Organization of lipids in the tear film: a molecular-level view. |
title_full |
Organization of lipids in the tear film: a molecular-level view. |
title_fullStr |
Organization of lipids in the tear film: a molecular-level view. |
title_full_unstemmed |
Organization of lipids in the tear film: a molecular-level view. |
title_sort |
organization of lipids in the tear film: a molecular-level view. |
publisher |
Public Library of Science (PLoS) |
series |
PLoS ONE |
issn |
1932-6203 |
publishDate |
2014-01-01 |
description |
Biophysical properties of the tear film lipid layer are studied at the molecular level employing coarse grain molecular dynamics (MD) simulations with a realistic model of the human tear film. In this model, polar lipids are chosen to reflect the current knowledge on the lipidome of the tear film whereas typical Meibomian-origin lipids are included in the thick non-polar lipids subphase. Simulation conditions mimic those experienced by the real human tear film during blinks. Namely, thermodynamic equilibrium simulations at different lateral compressions are performed to model varying surface pressure, and the dynamics of the system during a blink is studied by non-equilibrium MD simulations. Polar lipids separate their non-polar counterparts from water by forming a monomolecular layer whereas the non-polar molecules establish a thick outermost lipid layer. Under lateral compression, the polar layer undulates and a sorting of polar lipids occurs. Moreover, formation of three-dimensional aggregates of polar lipids in both non-polar and water subphases is observed. We suggest that these three-dimensional structures are abundant under dynamic conditions caused by the action of eye lids and that they act as reservoirs of polar lipids, thus increasing stability of the tear film. |
url |
http://europepmc.org/articles/PMC3961367?pdf=render |
work_keys_str_mv |
AT alicjawizert organizationoflipidsinthetearfilmamolecularlevelview AT drobertiskander organizationoflipidsinthetearfilmamolecularlevelview AT lukaszcwiklik organizationoflipidsinthetearfilmamolecularlevelview |
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