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Issue 40, 2014
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Dynamic density functional theory of protein adsorption on polymer-coated nanoparticles

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Abstract

We present a theoretical model for the description of the adsorption kinetics of globular proteins onto charged core–shell microgel particles based on Dynamic Density Functional Theory (DDFT). This model builds on a previous description of protein adsorption thermodynamics [Yigit et al., Langmuir, 2012, 28], shown to well interpret the available calorimetric experimental data of binding isotherms. In practice, a spatially-dependent free-energy functional including the same physical interactions is built, and used to study the kinetics via a generalised diffusion equation. To test this model, we apply it to the case study of lysozyme adsorption on PNIPAM coated nanoparticles, and show that the dynamics obtained within DDFT is consistent with that extrapolated from experiments. We also perform a systematic study of the effect of various parameters in our model, and investigate the loading dynamics as a function of proteins' valence and hydrophobic adsorption energy, as well as their concentration and that of the nanoparticles. Although we concentrated here on the case of adsorption for a single protein type, the model's generality allows to study multi-component system, providing a reliable instrument for future studies of competitive and cooperative adsorption effects often encountered in protein adsorption experiments.

Graphical abstract: Dynamic density functional theory of protein adsorption on polymer-coated nanoparticles

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Publication details

The article was received on 29 May 2014, accepted on 30 Jun 2014 and first published on 04 Jul 2014


Article type: Paper
DOI: 10.1039/C4SM01170H
Author version available: Download Author version (PDF)
Citation: Soft Matter, 2014,10, 7932-7945
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    Dynamic density functional theory of protein adsorption on polymer-coated nanoparticles

    S. Angioletti-Uberti, M. Ballauff and J. Dzubiella, Soft Matter, 2014, 10, 7932
    DOI: 10.1039/C4SM01170H

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