Curvature-driven molecular flows on membrane surfaces

TL;DR

This paper develops a mathematical model describing how molecules localize on curved membrane surfaces, linking membrane shape, molecule distribution, and spontaneous curvature to predict localization patterns.

Contribution

It introduces a novel energetic framework combining membrane bending and molecular entropy, leading to a drift-diffusion equation for surface molecule concentrations.

Findings

Model predicts molecular localization at preferred curvature regions.

Simulation results match expected localization patterns.

Framework integrates membrane shape and molecular distribution dynamics.

Abstract

Morphological change of bilayer membrane in vivo is not a spontaneous procedure but modulated by various types of proteins in general. Most of these modulations are associated with the localization of related proteins in the crowded lipid environment in bilayer membrane. This work presents an mathematical model for the localization of multiple species of diffusion molecules on membrane surfaces. We start with the energetic description of the distributions of molecules on curved membrane surface, by assembling the bending energy of bilayer membrane and the entropic energy of diffusive molecules. We introduce the spontaneous curvature of molecules in membrane, and define the spontaneous curvature of bilayer membrane as a function of the molecule concentrations on membrane surfaces. This connection gives rise to a drift-diffusion equation to govern the gradient flows of the surface molecule concentrations. We recast the energetic formulation and the related governing equations in the Eulerian framework by using a phase field function that defines the membrane morphology. Computational simulations with the proposed mathematical model and related numerical techniques predict the molecular localization on membrane surfaces at locations with preferred mean curvature.