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Hydrogen bonding induced protein adsorption on polymer brush: A Monte Carlo study

Abstract

Using Monte Carlo simulation, we investigate the protein adsorption behaviors on polymer brushes in the presence of hydrogen bonding between proteins and polymer brushes. It is interesting to observe in simulation that as a function of grafting density, the protein adsorbed amount passes through a minimum, that is, a critical grafting density with minimum protein adsorbed amount exists. The existence of a critical grafting density uncovers two different driving forces of protein adsorption. The driving force of protein adsorption is mainly the hydrogen bonding between proteins and polymer brushes when the grafting density is above the critical value, whereas the driving force is the attractions between proteins and the hydrophobic substrate when the grafting density is below the critical value. It is extraordinary that at the critical grafting density, the increasing hydrophilicity of polymer brush will lead to an increase of protein adsorption, even when the formation of hydrogen bonding between proteins and polymer brushes is suppressed by the increasing hydrophilicity of polymer brushes. This mainly results from the conformational transition of the polymer chains from collapse to stretch when the hydrophilicity is increased. It is noteworthy that the relationship between protein adsorption and grafting density reported in this study is quite consistent with our previous experimental work. Beyond that, the simulation results also provide detailed information about protein adsorption location and grafting chain conformation, which helps us to better understand the protein adsorption behaviors on polymer brush induced by hydrogen bonding.

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Publication details

The article was received on 13 Sep 2017, accepted on 09 Oct 2017 and first published on 09 Oct 2017


Article type: Paper
DOI: 10.1039/C7TB02465G
Citation: J. Mater. Chem. B, 2017, Accepted Manuscript
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    Hydrogen bonding induced protein adsorption on polymer brush: A Monte Carlo study

    Y. Han, J. Cui, J. Jin and W. Jiang, J. Mater. Chem. B, 2017, Accepted Manuscript , DOI: 10.1039/C7TB02465G

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