Kinetics of Macroion Adsorption on Silica: Complementary Theoretical and Experimental Investigations for Poly-l-arginine.

ABSTRACT: A comprehensive approach enabling a quantitative interpretation of poly-l-arginine (PARG) adsorption kinetics at solid/electrolyte interfaces was developed. The first step involved all-atom molecular dynamics (MD) modeling of physicochemical characteristics yielding PARG molecule conformations, its contour length, and the cross-section area. It was also shown that PARG molecules, even in concentrated electrolyte solutions (100 mM NaCl), assume a largely elongated shape with an aspect ratio of 36. Using the parameters derived from MD, the PARG adsorption kinetics at the silica/electrolyte interface was calculated using the random sequential adsorption approach. These predictions were validated by optical reflectometry measurements. It was confirmed that the molecules irreversibly adsorbed i

SUBMITTER: Morga M 

PROVIDER: S-EPMC11803736 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature