PH-Responsive Self-Assembly of Polysaccharide through a Rugged Energy Landscape.

ABSTRACT: Self-assembling polysaccharides can form complex networks with structures and properties highly dependent on the sequence of triggering cues. Controlling the emergence of such networks provides an opportunity to create soft matter with unique features; however, it requires a detailed understanding of the subtle balance between the attractive and repulsive forces that drives the stimuli-induced self-assembly. Here we employ all-atom molecular dynamics simulations on the order of 100 ns to study the mechanisms of the pH-responsive gelation of the weakly basic aminopolysaccharide chitosan. We find that low pH induces a sharp transition from gel to soluble state, analogous to pH-dependent folding of proteins, while at neutral and high pH self-assembly occurs via a rugged energy landscape, remi

SUBMITTER: Morrow BH 

PROVIDER: S-EPMC4697947 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature