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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Main Authors: Alicja Wizert, D Robert Iskander, Lukasz Cwiklik
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2014-01-01
Series:PLoS ONE
Online Access:http://europepmc.org/articles/PMC3961367?pdf=render
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spelling 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
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AT drobertiskander organizationoflipidsinthetearfilmamolecularlevelview
AT lukaszcwiklik organizationoflipidsinthetearfilmamolecularlevelview
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