title: Effect of Hydrophobic Core Topology and Composition on the Structure and Kinetics of Star Polymers: A Molecular Dynamics Study.
abstract: 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.
authors.affiliation: IBM Almaden Research Center, IBM Research , 650 Harry Road, San Jose, California 95120, United States.
authors.forename: Amber C
authors.initials: AC
authors.lastname: Carr
authors.forename: Lisa E
authors.initials: LE
authors.lastname: Felberg
authors.affiliation: IBM Almaden Research Center, IBM Research , 650 Harry Road, San Jose, California 95120, United States.
authors.forename: Victoria A
authors.initials: VA
authors.lastname: Piunova
authors.affiliation: IBM Almaden Research Center, IBM Research , 650 Harry Road, San Jose, California 95120, United States.
authors.forename: Julia E
authors.initials: JE
authors.lastname: Rice
authors.affiliation: Chemical Sciences Division, Lawrence Berkeley National Labs , Berkeley, California 94720, United States.
authors.forename: Teresa
authors.identifier: 0000-0003-0025-8987
authors.initials: T
authors.lastname: Head-Gordon
authors.affiliation: IBM Almaden Research Center, IBM Research , 650 Harry Road, San Jose, California 95120, United States.
authors.forename: William C
authors.identifier: 0000-0002-5299-4145
authors.initials: WC
authors.lastname: Swope
mesh_terms: D057927:Hydrophobic and Hydrophilic Interactions; D007700:Kinetics; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure; D053758:Nanoparticles / Q000737:chemistry; D011108:Polymers / Q000737:chemistry*; D013696:Temperature
chemical_list: D011108:Polymers