Self‐assembly in amphiphilic macromolecules with solvent exposed hydrophobic moieties

Abstract

Self‐assembly by amphiphilic molecules with solvent exposed hydrophobic groups are relevant in biomolecular systems as well as in technological applications. Here we study such self‐assembly in these systems using a model system of spherical particles having charge at core but solvent repelling surface, using Monte‐Carlo simulations and mean field treatment. We find that solvophobicity mediated attraction leads aggregation, while electrostatic repulsions control stability of finite clusters. The aggregation threshold relates the parameters of two interactions through an algebraic dependence. The study also qualitatively explains experimental observations on aggregation of misfolded proteins and can be useful guide to tune stability of nm sized self‐assembly in systems with exposed hydrophobic groups.