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A computational study of lateral phase separation in biological membranes (1808.06741v2)

Published 21 Aug 2018 in math.NA and physics.bio-ph

Abstract: Conservative and non-conservative phase-field models are considered for the numerical simulation of lateral phase separation and coarsening in biological membranes. An unfitted finite element method is devised for these models to allow for a flexible treatment of complex shapes in the absence of an explicit surface parametrization. For a set of biologically relevant shapes and parameter values, the paper compares the dynamic coarsening produced by conservative and non-conservative numerical models, its dependence on certain geometric characteristics and convergence to the final equilibrium

Citations (15)

Summary

  • The paper presents a computational study using surface Cahn–Hilliard and Allen–Cahn models with TraceFEM to simulate lateral phase separation on complex biological membrane shapes without requiring explicit parametrization.
  • Using an unfitted finite element method (TraceFEM) allows flexible simulation of phase separation on various biological surface shapes like spheres, spindles, and idealized cells, bypassing explicit meshing challenges.
  • The study compares models, finding the Cahn–Hilliard model predicts faster phase emergence than Allen–Cahn, and highlights how surface geometry significantly influences the final equilibrium configurations.

Analysis of Phase Separation in Biological Membranes: A Computational Approach

This paper presents a detailed computational paper of lateral phase separation and coarsening phenomena in biological membranes, a subject of significant ongoing interest due to the biological processes these phenomena influence. The authors employ both conservative (surface Cahn–Hilliard) and non-conservative (surface Allen–Cahn) phase-field models to simulate these processes. The focus of this paper is on the implementation of an unfitted finite element method (TraceFEM) to accommodate the complex geometries of biological membranes without requiring explicit surface parametrization.

The primary finding of this work revolves around the capability of TraceFEM to effectively simulate phase separation on various biological surface shapes. Through a series of computational experiments on surfaces such as spheres, spindles, and an idealized cell, the authors demonstrate the flexibility of the method, which does not presuppose specific geometrical shapes or parameterizations.

The paper emphasizes the comparison between conservative and non-conservative models. For instance, it shows that the Cahn–Hilliard model can successfully simulate spinodal decomposition in lipid vesicles, a phenomenon observed experimentally. This model also suggests that the emergence of distinct phases occurs faster than with the Allen–Cahn model. Nevertheless, the final equilibrium is determined by the surface's geometrical properties. Specifically, the ability to trace minimal-length curves on the surface heavily influences the equilibrium configuration in the Allen–Cahn simulations.

The paper adopts different initial conditions, displaying their impact on the evolution of phases, while also adapting time steps throughout the simulation to better capture the different timescale stages of the phase separation process. While current simulations are conducted on static surfaces, the longer-term objective is to extend these computational techniques to evolving surfaces, recognizing the dynamic nature of real biological membranes.

From a technical perspective, the unfitted finite element method allows significant flexibility in handling biological membrane shapes, sidestepping the need for explicit meshing or surface parameterizations. This feature is a distinct technical achievement, underscoring the versatility of TraceFEM in addressing complex biological questions.

In terms of computational implications, the stability of the implemented numerical methods is addressed by parameter choices rooted in pragmatic guidelines, particularly concerning the stabilization parameters which enable the relaxation of time-step constraints. The convergence tests presented confirm that the method achieves optimal second-order accuracy under the conditions tested.

Future directions could include extensions of this work to incorporate the effects of evolving membranes, possibly involving interactions with external fluid environments. Additionally, investigating the interplay of phase separation with mechanical properties of experimental setups of biological membranes could yield valuable insights into more realistic models of cellular membranes. The work sets a foundation for further exploration into dynamic simulations, potentially extending to scenarios that involve complex interactions with the cellular environment and other cellular components.

In conclusion, this paper contributes a numerical method that effectively simulates phase separation on complex surfaces, a crucial step toward understanding the mechanical and biophysical properties of biological membranes. While the current focus is on static shapes, the potential for applying these methods to dynamic and evolving biological membranes holds promise for enhancing our understanding of cellular processes in health and disease.

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