Unraveling the Transport Properties of RONS across Nitro-Oxidized Membranes

The potential of cold atmospheric plasma (CAP) in biomedical applications has received significant interest, due to its ability generate reactive oxygen and nitrogen species (RONS). Upon exposure living cells, CAP triggers alterations various cellular components, such as the cell membrane. However, permeation RONS across nitrated oxidized membranes remains understudied. To address this gap, we conducted molecular dynamics simulations, investigate capabilities modified membranes. This computational study investigated translocation processes less hydrophilic phospholipid bilayer (PLB), with degrees oxidation nitration, elucidated impact on PLB permeability. simulation results showed that species, i.e., NO, NO2, N2O4, O3, have a higher penetration through nitro-oxidized compared RONS, HNO3, s-cis-HONO, s-trans-HONO, H2O2, HO2, OH. In particular, nitro-oxidation PLB, induced by, e.g., plasma, minimal free energy barriers while it lowers these for thereby enhancing their PLB. research contributes better understanding abilities field highlights need further analysis role intracellular signaling pathways.