title: Simulating the co-encapsulation of drugs in a "smart" core-shell-shell polymer nanoparticle.
abstract: A coarse-grained lattice Monte Carlo method is used to simulate co-encapsulation and delivery of both a hydrophilic and hydrophobic drug from polymer nanoparticles. In particular, core-shell-shell polymer nanoparticles with acid-labile bonds are simulated, and the preferential release of the encapsulated drugs near more acidic tumors is captured. While these simple models lack the molecular details of a real system, they can reveal interesting insights concerning the effects of entropy and enthalpy in these systems.
authors.affiliation: Department of Science, Robert Morris University, 15108, Moon Township, USA, buxton@rmu.edu.
authors.forename: Gavin A
authors.initials: GA
authors.lastname: Buxton
mesh_terms: D002214:Capsules; D004337:Drug Carriers / Q000737:chemistry*; D057927:Hydrophobic and Hydrophilic Interactions; D009010:Monte Carlo Method; D053758:Nanoparticles / Q000737:chemistry*; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D011108:Polymers / Q000737:chemistry*
chemical_list: D002214:Capsules; D004337:Drug Carriers; D004364:Pharmaceutical Preparations; D011108:Polymers