Insights into short chain polyethylene penetration of phospholipid bilayers via atomistic molecular dynamics simulations

In this study, we leverage all-atom MD simulations to delve into the interactions between lipid bilayers and polyethylene (PETH) chains of varying lengths. The investigation spans diverse lipid bilayer compositions-ranging from pure POPC to POPC:DPPC mixtures-revealing how PETH accommodates itself, adopts extended conformations, and influences membrane structure and ordering. Significantly, while longer PETH chains demonstrate limited passive diffusion, their potential to penetrate bilayers over extended timescales emerges as a significant revelation. Overall, this research significantly advances our comprehension of NP-membrane interactions, shedding light on the potential environmental and health implications that lie ahead.PMID:38679310 | DOI:10.1016/j.bbamem.2024.184327
Source: Biochimica et Biophysica Acta - Category: Biochemistry Authors: Source Type: research