Mechanistic insights into the adsorption and bioactivity of fibronectin on surfaces with varying chemistries by a combination of experimental strategies and molecular simulations.

ABSTRACT: Fibronectin (Fn) is significant to the performance of biomaterials, and the chemistry of biomaterial surface play important roles in Fn adsorption and subsequent cell behavior. However, the "molecular scale" mechanism is still unclear. Herein, we combined experimental strategies with molecular simulations to solve this problem. We prepared self-assembled monolayers with varying chemistries, i.e., SAMs-CH₃, SAMs-NH₂, SAMs-COOH and SAMs-OH, and characterized Fn adsorption and cell behaviors on them. Next, Monte Carlo method and all-atom molecular dynamics simulations were employed to reveal the orientation/conformation of Fn on surfaces. We found that SAMs-CH₃ strongly adsorbed Fn via hydrophobic interactions, but show poor bioactivity as the low exposure of

SUBMITTER: Hao L 

PROVIDER: S-EPMC7960943 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature