Soft macromolecular confinement

TL;DR

This study investigates how semiflexible chains deform within soft lipid tubules, revealing shape transitions and providing insights into gene encapsulation mechanisms through simulations and elastic theories.

Contribution

It introduces a combined simulation and continuum theory approach to analyze shape transformations of confined semiflexible chains in soft tubules, highlighting the role of bending moduli.

Findings

Prolate to toroidal coil transition observed for stiff chains

Deformed shapes match elastic theory predictions

Insights into gene encapsulation in soft structures

Abstract

We study equilibrium shapes and shape transformations of a confined semiflexible chain inside a soft lipid tubule using simulations and continuum theories. The deformed tubular shapes and chain conformations depend on the relative magnitude of their bending moduli. We characterise the collapsed macromolecular shapes by computing statistical quantities that probe the polymer properties at small length scales and report a prolate to toroidal coil transition for stiff chains. Deformed tubular shapes, calculated using elastic theories, agree with simulations. In conjunction with scattering studies, our work may provide a mechanistic understanding of gene encapsulation in soft structures.