Domain size polydispersity effects on the structural and dynamical properties in lipid monolayers with phase coexistence

TL;DR

This study investigates how size polydispersity in lipid monolayers with phase coexistence influences their structural and dynamical properties, revealing significant effects on interaction strength and diffusion behavior through Brownian dynamics simulations.

Contribution

It introduces a detailed analysis of size distribution effects on lipid monolayer interactions and dynamics, highlighting the importance of considering polydispersity in theoretical models.

Findings

Polydispersity significantly affects the estimated interaction strength.

RDF can be approximated by monodisperse models with fitted interaction parameters.

Small polydispersity and interaction strengths yield similar diffusion properties as monodisperse systems.

Abstract

Lipid monolayers with phase coexistence are a frequently used model for lipid membranes. In these systems, domains of the liquid-condensed phase always present size polydispersity. However, very few theoretical works consider size distribution effects on the monolayer properties. Because of the difference in surface densities, domains have excess dipolar density with respect to the surrounding liquid expanded phase, originating a dipolar inter-domain interaction. This interaction depends on the domain area, and hence the presence of a domain size distribution is associated with interaction polydispersity. Inter-domain interactions are fundamental to understanding the structure and dynamics of the monolayer. For this reason, it is expected that polydispersity significantly alters monolayer properties. By means of Brownian dynamics simulations, we study the radial distribution function (RDF), the average mean square displacement and the average time-dependent self-diffusion coefficient, D(t), of lipid monolayers with normal distributed size domains. It was found that polydispersity strongly affects the value of the interaction strength obtained, which is greatly underestimated if polydispersity is not considered. However, within a certain range of parameters, the RDF obtained from a polydisperse model can be well approximated by that of a monodisperse model, suitably fitting the interaction strength, even for 40% polydispersities. For small interaction strengths or small polydispersities, the polydisperse systems obtained from fitting the experimental RDF have an average mean square displacement and D(t) in good agreement with that of the monodisperse system.