Self‐Assembly of Poly(Amino Acid)s Mediated by Secondary Conformations

Abstract

Self‐assembly of block copolymers has recently drawn great attention due to its remarkable performance and wide variety of applications in biomedicine, biomaterials, microelectronics, photoelectric materials, catalysts, etc. Poly(amino acid)s (PAAs), formed by introducing synthetic amino acids into copolymer backbones, are able to fold into different secondary conformations when compared with traditional amphiphilic copolymers. Apart from changing the chemical composition and degree of polymerization of copolymers, the self‐assembly behaviors of PAAs could be controlled by their secondary conformations, which are more flexible and adjustable for fine structure tailoring. In this article, we summarize the latest findings on the variables that influence secondary conformations, in particular the regulation of order‐to‐order conformational changes and the approaches used to manage the self‐assembly behaviors of PAAs. These strategies include controlling pH, redox reactions, coordination, light, temperature, and so on. Hopefully, we can provide valuable perspectives that will be useful for the future development and use of synthetic PAAs.

Polymersomes in Drug Delivery─From Experiment to Computational Modeling

“…The secondary conformation of polymers and their transitions can significantly affect their self-assembly behaviors. ,− For example, changes in polymer conformation induced by pH variation, redox reactions, drug complexation, and metal coordination can drive morphological transitions or disrupt the assembly. ,,, The conformational transformation from β-sheet to α-helix can increase the permeability of polymersomes and trigger drug release. , However, the relationship between secondary structures and hierarchically self-assembled structures remains poorly understood . In previous simulations, secondary structures and transitions of polymeric segments were modeled using AA force fields, ,, while the self-assembly process of copolymers was studied using DPD simulation. , No study has yet integrated both aspects into a single simulation framework.…”

“…18,19 However, the relationship between secondary structures and hierarchically self-assembled structures remains poorly understood. 224 In previous simulations, secondary structures and transitions of polymeric segments were modeled using AA force fields, 19,225,227 while the self-assembly process of copolymers was studied using DPD simulation. 180,228 No study has yet integrated both aspects into a single simulation framework.…”