Membrane Insertion of MoS₂ Nanosheets: Fresh vs. Aged.

ABSTRACT: Fresh two-dimensional molybdenum disulfide (MoS₂) absorbs the hydrocarbon contaminations in the ambient air and makes surface aging. To understand how the surface aging influences the interactions between MoS₂ and biomolecules is important in the biomedical applications. Here, employing all-atom molecular dynamics simulations, we investigated the interactions of the fresh and aged MoS₂ nanosheets with the lipid membranes of different components. Our results demonstrate that both the fresh and aged MoS₂ nanosheets can spontaneously insert into the bilayer membranes. However, the fresh MoS₂ nanosheet displays significantly stronger interaction and then has a larger penetration depth than the aged counterpart, regardless of the lipid comp

SUBMITTER: Ye R 

PROVIDER: S-EPMC8267466 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature