Role of neutral lipids in tear fluid lipid layer: Coarse-grained simulation study

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Role of neutral lipids in tear fluid lipid layer : Coarse-grained simulation study. / Telenius, Jelena; Koivuniemi, Artturi; Kulovesi, Pipsa; Holopainen, Juha M.; Vattulainen, Ilpo.

In: Langmuir, Vol. 28, No. 49, 11.12.2012, p. 17092-17100.

Research output: Contribution to journalArticle

Harvard

Telenius, J, Koivuniemi, A, Kulovesi, P, Holopainen, JM & Vattulainen, I 2012, 'Role of neutral lipids in tear fluid lipid layer: Coarse-grained simulation study', Langmuir, vol. 28, no. 49, pp. 17092-17100. https://doi.org/10.1021/la304366d

APA

Telenius, J., Koivuniemi, A., Kulovesi, P., Holopainen, J. M., & Vattulainen, I. (2012). Role of neutral lipids in tear fluid lipid layer: Coarse-grained simulation study. Langmuir, 28(49), 17092-17100. https://doi.org/10.1021/la304366d

Vancouver

Telenius J, Koivuniemi A, Kulovesi P, Holopainen JM, Vattulainen I. Role of neutral lipids in tear fluid lipid layer: Coarse-grained simulation study. Langmuir. 2012 Dec 11;28(49):17092-17100. https://doi.org/10.1021/la304366d

Author

Telenius, Jelena ; Koivuniemi, Artturi ; Kulovesi, Pipsa ; Holopainen, Juha M. ; Vattulainen, Ilpo. / Role of neutral lipids in tear fluid lipid layer : Coarse-grained simulation study. In: Langmuir. 2012 ; Vol. 28, No. 49. pp. 17092-17100.

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@article{5d801e66ce2e4402a0965c0e3984c73f,
title = "Role of neutral lipids in tear fluid lipid layer: Coarse-grained simulation study",
abstract = "Tear fluid lipid layer (TFLL) residing at the air-water interface of tears has been recognized to play an important role in the development of dry eye syndrome. Yet, the composition, structure, and mechanical properties of TFLL are only partly known. Here, we report results of coarse-grained simulations of a lipid layer comprising phospholipids, free fatty acids, cholesteryl esters, and triglycerides at the air-water interface to shed light on the properties of TFLL. We consider structural as well as dynamical properties of the lipid layer as a function of surface pressure. Simulations revealed that neutral lipids reside heterogeneously between phospholipids at relatively low pressures but form a separate hydrophobic phase with increasing surface pressure, transforming the initial lipid monolayer to a two-layered structure. When the model of TFLL was compared to a one-component phospholipid monolayer system, we found drastic differences in both structural and dynamical properties that explain the prominent role of neutral lipids as stabilizers of the TFLL. Based on our results, we suggest that neutral lipids are able to increase the stability of the TFLL by modulating its dynamical and structural behavior, which is important for the proper function of tear film.",
author = "Jelena Telenius and Artturi Koivuniemi and Pipsa Kulovesi and Holopainen, {Juha M.} and Ilpo Vattulainen",
year = "2012",
month = "12",
day = "11",
doi = "10.1021/la304366d",
language = "English",
volume = "28",
pages = "17092--17100",
journal = "Langmuir",
issn = "0743-7463",
publisher = "AMERICAN CHEMICAL SOCIETY",
number = "49",

}

RIS - Download

TY - JOUR

T1 - Role of neutral lipids in tear fluid lipid layer

T2 - Coarse-grained simulation study

AU - Telenius, Jelena

AU - Koivuniemi, Artturi

AU - Kulovesi, Pipsa

AU - Holopainen, Juha M.

AU - Vattulainen, Ilpo

PY - 2012/12/11

Y1 - 2012/12/11

N2 - Tear fluid lipid layer (TFLL) residing at the air-water interface of tears has been recognized to play an important role in the development of dry eye syndrome. Yet, the composition, structure, and mechanical properties of TFLL are only partly known. Here, we report results of coarse-grained simulations of a lipid layer comprising phospholipids, free fatty acids, cholesteryl esters, and triglycerides at the air-water interface to shed light on the properties of TFLL. We consider structural as well as dynamical properties of the lipid layer as a function of surface pressure. Simulations revealed that neutral lipids reside heterogeneously between phospholipids at relatively low pressures but form a separate hydrophobic phase with increasing surface pressure, transforming the initial lipid monolayer to a two-layered structure. When the model of TFLL was compared to a one-component phospholipid monolayer system, we found drastic differences in both structural and dynamical properties that explain the prominent role of neutral lipids as stabilizers of the TFLL. Based on our results, we suggest that neutral lipids are able to increase the stability of the TFLL by modulating its dynamical and structural behavior, which is important for the proper function of tear film.

AB - Tear fluid lipid layer (TFLL) residing at the air-water interface of tears has been recognized to play an important role in the development of dry eye syndrome. Yet, the composition, structure, and mechanical properties of TFLL are only partly known. Here, we report results of coarse-grained simulations of a lipid layer comprising phospholipids, free fatty acids, cholesteryl esters, and triglycerides at the air-water interface to shed light on the properties of TFLL. We consider structural as well as dynamical properties of the lipid layer as a function of surface pressure. Simulations revealed that neutral lipids reside heterogeneously between phospholipids at relatively low pressures but form a separate hydrophobic phase with increasing surface pressure, transforming the initial lipid monolayer to a two-layered structure. When the model of TFLL was compared to a one-component phospholipid monolayer system, we found drastic differences in both structural and dynamical properties that explain the prominent role of neutral lipids as stabilizers of the TFLL. Based on our results, we suggest that neutral lipids are able to increase the stability of the TFLL by modulating its dynamical and structural behavior, which is important for the proper function of tear film.

UR - http://www.scopus.com/inward/record.url?scp=84870875304&partnerID=8YFLogxK

U2 - 10.1021/la304366d

DO - 10.1021/la304366d

M3 - Article

VL - 28

SP - 17092

EP - 17100

JO - Langmuir

JF - Langmuir

SN - 0743-7463

IS - 49

ER -

ID: 17914408