Fluorinated graphene nanomaterial causes potential mechanical perturbations to a biomembrane

Abstract

Fluorinated graphene (F-GRA) has attracted great interest in biomedical applications. In this context, the direct interaction between F-GRA and various biomolecules is a vital process guiding the bio-function of this nanomaterial. Nevertheless, information regarding the interaction of F-GRA with biomolecules is scarce, particularly at the molecular level. In this study, using an in silico approach, we investigate the adsorption of F-GRA to a phospholipid bilayer to evaluate the potential effect of the nanomaterial to a biomembrane and its mechanism. Our results indicate that F-GRA can either slightly insert into the membrane or parallelly adhere on the membrane surface, different from the complete insertion of graphene. Detailed analysis confirms that the electrostatic forces dominantly mediate the adsorption process. F-GRA in its parallel binding pattern causes a partial enlargement in the membrane thickness via the disruption of the lipids' order parameters, indicating a mild mechanical influence to the membrane structure. Although the potential mechanical perturbation of F-GRA to membrane is detected, this impact is much weaker than graphene. These findings suggest the potentially weak physical perturbations of F-GRA to the cellular membrane, which may establish the basis for the future biomedical applications of this material after proper surface coating.

Keywords: Bio-nano interaction; Bioeffect; Cellular membrane; Fluorinated graphene; Molecular dynamics simulation.