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Simulations of Protein Adsorption on Nanostructured Surfaces

Scientific Reports, 9, 4694 (2019)

Berardo M. Manzi, Marco Werner, Elena P. Ivanova, Russell J. Crawford and Vladimir A. Baulin

Recent technological advances have allowed the development of a new generation of nanostructured materials, such as those displaying both mechano-bactericidal activity and substrata that favor the growth of mammalian cells. Nanomaterials that come into contact with biological media such as blood first interact with proteins, hence understanding the process of adsorption of proteins onto these surfaces is highly important. The Random Sequential Adsorption (RSA) model for protein adsorption on flat surfaces was modified to account for nanostructured surfaces. Phenomena related to the nanofeature geometry have been revealed during the modelling process; e.g., convex geometries can lead to lower steric hindrance between particles, and hence higher degrees of surface coverage per unit area. These properties become more pronounced when a decrease in the size mismatch between the proteins and the surface nanostructures occurs. This model has been used to analyse the adsorption of human serum albumin (HSA) on a nano-structured black silicon (bSi) surface. This allowed the Blocking Function (the rate of adsorption) to be evaluated. The probability of the protein to adsorb as a function of the occupancy was also calculated.

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DOI: 10.1038/s41598-019-40920-z


Vladimir Baulin

Universitat Rovira i Virgili (URV), Tarragona, Spain

Coordinator of SNAL network. Expertise is computer simulations and theory of soft matter systems. Research is focused on the topics in the theory of Soft matter, polymer physics. more...


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    Marco Werner

    Project manager of SNAL at the Universitat Rovira i Virgili, Tarragona, Spain Theory and simulations of interaction of nanoobjects with lipid membranes, more...

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      Elena Ivanova

      Swinburne University, Australia

      Expertise in Microbiology and Biotechnology/Nanobiotechnology. Design, fabrication and operation of planar micro-devices.->

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        Berardo Mario Manzi

        MSCA Early Stage Researcher at the Universitat Rovira i Virgili, Tarragona, Spain Theory and simulations of interaction of nano-objects with lipid membranes. more...

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