Influence of the multibody interactions in a lipidic membrane model

被引:0
|
作者
Pena-Ausar, J. E. [1 ]
Pinto, O. A. [1 ]
机构
[1] Univ Nacl Santiago Estero, Inst Bionanotecnol NOA INBIONATEC CONICET, RN 9 Km 1125 Villa Zanjon,G4206XCP, Santiago Del Estero, Argentina
关键词
Non pairwise; Multibody interactions; Lipids membrane; Monte Carlo simulation; Lipids domains; Ordered structure; LATTICE-GAS-MODEL; COMPUTER-SIMULATION; PHASE-TRANSITION; MONTE-CARLO; THERMODYNAMICS; CHOLESTEROL; SHAPES;
D O I
10.1016/j.molliq.2023.122782
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
This work presents a new model of lipid membrane that introduces multibody lateral interactions in the cooperative parameter o). The traditional and widely-used assumption of pairwise interactions between neighboring lipids is replaced by a more general approach. In the literature, most models consider o) as a single interaction parameter while ignoring multibody interactions, where van der Waals forces, hydrogen bonding, and ionic bonding between acyl chains and head groups are present. In this study, a two-state model is considered where the gel-fluid interaction energy is parameterized and depends on the number of gel-fluid pairs in their nearest neighbors. Monte Carlo simulations in the grand canonical ensemble are used to analyze order parameters, heat capacity, and other parameters in the vicinity of the gel-fluid phase transition. The behavior is analyzed and discussed in terms of domain formation and the emergence of new ordered structures in the system.
引用
收藏
页数:6
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