Morphological changes of amphiphilic molecular assemblies induced by chemical reaction

TL;DR

This study uses molecular simulations to explore how chemical reactions induce shape transformations in amphiphilic assemblies, revealing mechanisms like size-dependent transitions and the role of hydrophobic particles.

Contribution

It demonstrates how chemical reactions can drive morphological changes in amphiphilic assemblies and uncovers the influence of embedded hydrophobic particles on membrane rigidity.

Findings

Reaction induces droplet to vesicle transformations.

Hydrophobic particles lower membrane bending rigidity.

Size-dependent bicelle-to-vesicle transition observed.

Abstract

Shape transformations of amphiphilic molecular assemblies induced by chemical reaction are studied using coarse-grained molecular simulations. A binding reaction between hydrophilic and hydrophobic molecules is considered. It is found that the reaction induces transformation of an oil droplet to a tubular vesicle via bicelles and vesicles with discoidal arms. The discoidal arms close into vesicles, which are subsequently fused into the tubular vesicle. Under the chemical reaction, the bicelle-to-vesicle transition occurs at smaller sizes than in the absence of the hydrophobic molecules. It is revealed that the enhancement of this transition is due to embedded hydrophobic particles that reduce the membrane bending rigidity.