Eur. Phys. J. E (2014) 37: 14
https://doi.org/10.1140/epje/i2014-14014-5

Regular Article

Simulating the co-encapsulation of drugs in a “smart” core-shell-shell polymer nanoparticle

Department of Science, Robert Morris University, 15108, Moon Township, USA

^* e-mail: buxton@rmu.edu

Received: 7 September 2013
Revised: 14 January 2014
Accepted: 24 February 2014
Published online: 18 March 2014

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.