Issue 40, 2014

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

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

Article information

Article type
Paper
Submitted
29 May 2014
Accepted
30 Jun 2014
First published
04 Jul 2014

Soft Matter, 2014,10, 7932-7945

Author version available

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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