Bio-inspired amphiphilic heteropolymer dynamics at interfaces

Amphiphilic synthetic random heteropolymers can provide a bio-inspired means for augmenting and even mimicking bio-macromolecular function. The statistical distribution of chains makes analysis of particular molecules and motifs challenging experimentally. Through molecular dynamics simulations, we can provide nanoscale analysis of individual sequences to provide insight into how these synthetic polymers respond to their environments. Having previously shown multiple dynamic modes and heterogeneous surfaces for the chains in aqueous solution, we now characterize their statistically derived properties in more complex environments. We demonstrate that mixing solvents and small molecules alter not only the driving forces to assembly, but also introduce high energy interfaces that can stimulate changes in polymer conformation. These changes are shown to be highly dependent upon the physicochemical properties of both the polymer and the interface. Our characterization, leveraging analysis techniques from both polymer physics and protein sciences, illuminates avenues for modifying and processing synthetic polymer assemblies in solution.