Simulating the co-encapsulation of drugs in a "smart" core-shell-shell polymer nanoparticle
GA Buxton, EUROPEAN PHYSICAL JOURNAL E, 37, 14 (2014).
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.
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