Dynamic density functional theory of protein adsorption on polymer coated nanoparticles
File(s)1406.2891v3.pdf (1.51 MB)
Accepted version
Author(s)
bf Angioletti-Uberti, bf S
Ballauff, M
Dzubiella, J
Type
Journal Article
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.
Date Issued
2014-07-04
Date Acceptance
2014-06-30
Citation
Soft Matter, 2014, 10 (40), pp.7932-7945
ISSN
1744-683X
Publisher
Royal Society of Chemistry
Start Page
7932
End Page
7945
Journal / Book Title
Soft Matter
Volume
10
Issue
40
Copyright Statement
© 2014 The Royal Society of Chemistry
Subjects
Science & Technology
Physical Sciences
Technology
Chemistry, Physical
Materials Science, Multidisciplinary
Physics, Multidisciplinary
Polymer Science
Chemistry
Materials Science
Physics
DIFFUSION-COEFFICIENTS
DRUG RELEASE
KINETICS
FLUIDS
INTERFEROMETRY
ISOTHERMS
LYSOZYME
SURFACES
EXCHANGE
LIQUIDS
Adsorption
Coated Materials, Biocompatible
Hydrogels
Models, Chemical
Muramidase
Nanoparticles
physics.bio-ph
cond-mat.soft
q-bio.BM
03 Chemical Sciences
09 Engineering
02 Physical Sciences
Chemical Physics
Publication Status
Published
Date Publish Online
2014-07-04