Topology-controlled self-assembly of amphiphilic block copolymers.

ABSTRACT: Contemporary synthetic chemistry approaches can be used to yield a range of distinct polymer topologies with precise control. The topology of a polymer strongly influences its self-assembly into complex nanostructures however a clear mechanistic understanding of the relationship between polymer topology and self-assembly has not yet been developed. In this work, we use atomistic molecular dynamics simulations to provide a nanoscale picture of the self-assembly of three poly(ethylene oxide)-poly(methyl acrylate) block copolymers with different topologies into micelles. We find that the topology affects the ability of the micelle to form a compact hydrophobic core, which directly affects its stability. Also, we apply unsupervised machine learning techniques to show that the topology of a pol

SUBMITTER: Lopez-Rios de Castro R 

PROVIDER: S-EPMC10540979 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature