title: Molecular dynamics simulations of ternary lipid bilayers containing plant sterol and glucosylceramide.
abstract: An atomic-level molecular dynamics simulation was carried out to study the effects of a plant sterol (sitosterol) and glucosylceramide (GlcCer) on a 1,2-dilinoleoylposphocholine (DLiPC) membrane. Initially, a membrane containing 50mol% sitosterol was compared with that containing the same ratio of cholesterol. These simulations showed differential condensing and ordering effects of sitosterol and cholesterol, with cholesterol being slightly more efficient than sitosterol in packing the membrane more tightly to a liquid ordered phase. By incorporation of 9.3% GlcCer on DLiPC/sterol membrane no notable change was observed in terms of area per lipid, bilayer thickness, order parameter and lateral diffusion. Some clusters of GlcCer/sterol were observed at higher ratio of GlcCer (15.5%), supporting the existence of GlcCer/sitosterol-enriched Lo-domains on the nanometer scale in the plant lipid mixture.
authors.affiliation: Department of Chemical Engineering, University of California-Davis, Davis, CA 95616, USA; Department of Food Science, College of Agriculture, University of Tabriz, Tabriz, 5166616471, Iran.
authors.forename: Shiva
authors.initials: S
authors.lastname: Emami
authors.affiliation: Department of Food Science, College of Agriculture, University of Tabriz, Tabriz, 5166616471, Iran.
authors.forename: Sodeif
authors.initials: S
authors.lastname: Azadmard-Damirchi
authors.affiliation: Department of Food Science, College of Agriculture, University of Tabriz, Tabriz, 5166616471, Iran.
authors.forename: Seyed Hadi
authors.initials: SH
authors.lastname: Peighambardoust
authors.affiliation: Department of Food Science, College of Agriculture, University of Tabriz, Tabriz, 5166616471, Iran.
authors.forename: Javad
authors.initials: J
authors.lastname: Hesari
authors.affiliation: Department of Pharmaceutics, Faculty of Pharmacy, Tabriz University of Medical Sciences, Tabriz, Iran.
authors.forename: Hadi
authors.initials: H
authors.lastname: Valizadeh
authors.affiliation: Department of Chemical Engineering, University of California-Davis, Davis, CA 95616, USA. Electronic address: rfaller@ucdavis.edu.
authors.forename: Roland
authors.initials: R
authors.lastname: Faller
mesh_terms: D005963:Glucosylceramides / Q000737:chemistry*; D008051:Lipid Bilayers / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure; D010840:Phytosterols / Q000737:chemistry*
chemical_list: D005963:Glucosylceramides; D008051:Lipid Bilayers; D010840:Phytosterols
keywords: Glucosylceramide; Lipid bilayer; Molecular dynamics; Sitosterol; Sphingolipid