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

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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.

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Authors and Affiliations

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

    Gavin A. Buxton

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  1. Gavin A. Buxton
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Correspondence to Gavin A. Buxton.

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Buxton, G.A. Simulating the co-encapsulation of drugs in a “smart” core-shell-shell polymer nanoparticle. Eur. Phys. J. E 37, 14 (2014). https://doi.org/10.1140/epje/i2014-14014-5

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  • DOI: https://doi.org/10.1140/epje/i2014-14014-5

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