Adsorption of fibronectin fragment on surfaces using fully atomistic molecular dynamics simulations
Liamas, Evangelos and Kubiak-Ossowska, Karina and Black, Richard A. and Thomas, Owen R.T. and Zhang, Zhenyu J. and Mulheran, Paul A. (2018) Adsorption of fibronectin fragment on surfaces using fully atomistic molecular dynamics simulations. International Journal of Molecular Sciences, 19 (11). 3321. ISSN 1422-0067 (https://doi.org/10.3390/ijms19113321)
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Abstract
The effect of surface chemistry on the adsorption characteristics of a fibronectin fragment (FNIII8⁻10) was investigated using fully atomistic molecular dynamics simulations. Model surfaces were constructed to replicate self-assembled monolayers terminated with methyl, hydroxyl, amine, and carboxyl moieties. It was found that adsorption of FNIII8⁻10 on charged surfaces is rapid, specific, and driven by electrostatic interactions, and that the anchoring residues are either polar uncharged or of opposing charge to that of the targeted surfaces. On charged surfaces the presence of a strongly bound layer of water molecules and ions hinders FNIII8⁻10 adsorption. In contrast, adsorption kinetics on uncharged surfaces are slow and non-specific, as they are driven by van der Waals interactions, and the anchoring residues are polar uncharged. Due to existence of a positively charged area around its cell-binding region, FNIII8⁻10 is available for subsequent cell binding when adsorbed on a positively charged surface, but not when adsorbed on a negatively charged surface. On uncharged surfaces, the availability of the fibronectin fragment's cell-binding region is not clearly distinguished because adsorption is much less specific.
ORCID iDs
Liamas, Evangelos, Kubiak-Ossowska, Karina, Black, Richard A., Thomas, Owen R.T., Zhang, Zhenyu J. and Mulheran, Paul A. ORCID: https://orcid.org/0000-0002-9469-8010;-
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Item type: Article ID code: 66167 Dates: DateEvent25 October 2018Published23 October 2018AcceptedSubjects: Technology > Chemical engineering Department: Faculty of Engineering > Chemical and Process Engineering
Faculty of Engineering > Biomedical EngineeringDepositing user: Pure Administrator Date deposited: 20 Nov 2018 09:18 Last modified: 12 Dec 2024 07:20 Related URLs: URI: https://strathprints.strath.ac.uk/id/eprint/66167