Effect of Hydrophobic Core Topology and Composition on the Structure and Kinetics of Star Polymers: A Molecular Dynamics Study

AC Carr and LE Felberg and VA Piunova and JE Rice and T Head-Gordon and WC Swope, JOURNAL OF PHYSICAL CHEMISTRY B, 121, 2902-2918 (2017).

DOI: 10.1021/acs.jpcb.7b00865

We present a molecular dynamics study of the effect of core chemistry on star polymer structural and kinetic properties. This work serves to validate the choice of a model adamantane core used in previous simulations to represent larger star polymeric systems in an aqueous environment, as well as to explore how the choice of size and core chemistry using a dendrimer or nanogel core may affect these polymeric nanoparticle systems, particularly with respect to thermosensitivity and solvation properties that are relevant for applications in drug loading and delivery.

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