The Configuration of Copolymer Ligands on Nanoparticles Affects Adhesion and Uptake

Nanoparticles (NPs) are promising carriers for targeted drug delivery, photodynamic therapy, and imaging probes. A fundamental understanding of the dynamics of polymeric NP targeting to bilayer membranes is important to enhance the design of NPs for higher adhesion, binding percentage, and efficiency. In this study, dissipative particle dynamics simulations are applied to investigate the adhesion and uptake processes of the rod, spherical, and striped NPs to cell membranes. It is observed that the striped ligands can prevent NPs from rotating even in active rotation. We further optimize striped NP to a more stabilized structure. Uptake processes of NPs with different configurations are thoroughly investigated in our simulations and among which Janus NP are indicated to improve the penetration rate to 100%. These findings provide better insight into patterned NP design and may help fabricate new NPs for biomedical applications.