Equilibrium insertion of nanoscale objects into phospholipid bilayers

TL;DR

This paper uses Single Chain Mean Field theory to model how nanoscale spheres and rods insert into phospholipid bilayers, revealing equilibrium structures, orientations, and energy barriers relevant for membrane interactions.

Contribution

It introduces a theoretical approach to predict the equilibrium insertion and orientation of nanoscale objects in lipid bilayers, advancing understanding of membrane-nanoparticle interactions.

Findings

Identifies stable orientations of nanoscale objects in bilayers

Calculates free energies associated with insertion

Estimates energy barriers for nanoparticle insertion

Abstract

Certain membrane proteins, peptides, nanoparticles and nanotubes have rigid structure and fixed shape. They are often viewed as spheres and cylinders with certain surface properties. Single Chain Mean Field theory is used to model the equilibrium insertion of nanoscale spheres and rods into the phospholipid bilayer. The equilibrium structures and the resulting free energies of the nano-objects in the bilayer allow to distinguish different orientations in the bilayer and estimate the energy barrier of insertion.