Mesoscopic Structures of Poly(carboxybetaine) Block Copolymer and Poly(ethylene glycol) Block Copolymer in Solutions.

Abstract

The antifouling property of exogenous materials is vital for their in vivo applications. In this work, dissipative particle dynamics simulations are performed to study the self-assembled morphologies of two copolymer systems containing poly(ethylene glycol) (PEG) and poly(carboxybetaine) (PCB) in aqueous solutions. Effects of polymer composition and polymer concentration on the self-assembled structures of the two copolymers (PLA-PEG and PLA-PCB) are investigated, respectively [PLA represents poly(lactic acid)]. Results show that whatever the copolymer composition is, PLA-PEG systems will self-assemble into core-shell structures, whereas onion-like and vesicle structures are also found for the PLA-PCB systems. Different morphologies are obtained at different polymer concentrations in both copolymer systems. Simulation results demonstrate that PCB is more stable than PEG in maintaining self-assembled spherical structures of copolymer systems because PLA-PEG forms dumbbell-like structures whereas PLA-PCB is spherical under the same polymer concentration. Although both copolymer systems can self-assemble into core-shell nanoparticles when the block ratio of PLA:PEG or PLA:PCB is 80:20, the core-shell structures of the nanoparticles are quite different. The shell layers formed by PEG in PLA-PEG nanoparticles are inhomogeneous in size because of the amphiphilicity of PEG, whereas the shell layers in PLA-PCB nanoparticles are homogenous because of the strong hydrophilicity of the zwitterionic PCB polymer block.