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ACS Appl Mater Interfaces. 2019 May 15;11(19):17697-17705. doi: 10.1021/acsami.9b03942. Epub 2019 May 3.

Nanoparticle Concentration vs Surface Area in the Interaction of Thiol-Containing Molecules: Toward a Rational Nanoarchitectural Design of Hybrid Materials.

Author information

1
Division of Cardiac Surgery , University of Ottawa Heart Institute , 40 Ruskin Street , Ottawa , Ontario , Canada K1Y 4W7.
2
Department of Biochemistry, Microbiology, and Immunology, Faculty of Medicine , University of Ottawa , 451 Smyth Road , Ottawa , Ontario , Canada K1H 8M5.
3
Center for Bioinformatics and Molecular Simulations, Facultad de Ingeniería , Universidad de Talca , Campus Lircay s/n , Talca 3460000 , Chile.
4
Instituto de Matemática , Pontificia Universidad Católica de Valparaíso , Blanco Viel 596, Cerro Barón , Valparaíso 2350026 , Chile.
5
Facultad de Ciencias Químicas, Departamento de Química Orgánica , Universidad Nacional de Córdoba , Haya de la Torre y Medina Allende s/n, Ciudad Universitaria , Córdoba X5000HUA , Argentina.
6
Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), INFIQC , Buenos Aires 1418 , Córdoba X5000IND , Argentina.
7
Núcleo Científico Multidisciplinario, Dirección de Investigación , Universidad de Talca , Talca 3460000 , Chile.
8
Millennium Nucleus of Ion Channels-Associated Diseases (MiNICAD) , Talca 3460000 , Chile.

Abstract

The effect of accounting for the total surface in the association of thiol-containing molecules to nanosilver was assessed using isothermal titration calorimetry, along with a new open access algorithm that calculates the total surface area for samples of different polydispersity. Further, we used advanced molecular dynamic calculations to explore the underlying mechanisms for the interaction of the studied molecules in the presence of a nanosilver surface in the form of flat surfaces or as three-dimensional pseudospherical nanostructures. Our data indicate that not only is the total surface area available for binding but also the supramolecular arrangements of the molecules in the near proximity of the nanosilver surface strongly affects the affinity of thiol-containing molecules to nanosilver surfaces.

KEYWORDS:

association models; cystein-containing peptides; isothermal titration calorimetry; molecular dynamics; nanosurface engineering; polydispersity; silver nanoparticles

PMID:
31013043
DOI:
10.1021/acsami.9b03942

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