title: Behavior of sphingomyelin and ceramide in a tear film lipid layer model.
abstract: Tear film lipid layer is a complex lipid mixture forming the outermost interface between eye and environment. Its key characteristics, such as surface tension and structural stability, are governed by the presence of polar lipids. The origin of these lipids and exact composition of the mixture are still elusive. We focus on two minor polar lipid components of the tear film lipid later: sphingomyelin and ceramide. By employing coarse grain molecular dynamics in silico simulations accompanied by Langmuir balance experiments we provide molecular-level insight into behavior of these two lipids in a tear film lipid layer model. Sphingomyelin headgroups are significantly exposed at the water-lipids boundary while ceramide molecules are incorporated between other lipids frequently interacting with nonpolar lipids. Even though these two lipids increase surface tension of the film, their molecular-level behavior suggests that they have a stabilizing effect on the tear film lipid layer.
authors.affiliation: J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, Prague 18223, Czech Republic.
authors.forename: Agnieszka
authors.initials: A
authors.lastname: Olżyńska
authors.affiliation: J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, Prague 18223, Czech Republic; Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, Prague 16610, Czech Republic. Electronic address: lukasz.cwiklik@jh-inst.cas.cz.
authors.forename: Lukasz
authors.initials: L
authors.lastname: Cwiklik
mesh_terms: D002518:Ceramides / Q000737:chemistry*; D002788:Cholesterol Esters / Q000737:chemistry; D006801:Humans; D008055:Lipids / Q000737:chemistry*; D008537:Meibomian Glands / Q000737:chemistry / Q000378:metabolism; D056004:Molecular Dynamics Simulation; D013109:Sphingomyelins / Q000737:chemistry*; D013500:Surface Tension; D013666:Tears / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D002518:Ceramides; D002788:Cholesterol Esters; D008055:Lipids; D013109:Sphingomyelins
keywords: Ceramide; Langmuir balance; Molecular dynamics simulations; Sphingomyelin; Tear film lipid layer