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Dynamics behavior of PE and PET oligomers in lipid bilayer simulations
Summary
Researchers used computer simulations to study how tiny plastic fragments from PET and polyethylene enter cell membranes, finding that small plastic molecules pass through with little resistance and can concentrate inside membranes — suggesting passive entry into cells is possible for nanoplastics just a few nanometers in size.
Abstract In recent years many investigators have been concerned about the toxicity and potential health hazards of micro- and nanoplastics. However, we are still lacking a good understanding of the methods of their transport into the human body and subsequently within cells. This is especially true at the lower nanometer scale; these particles are potentially more dangerous than their micrometer counterparts due to their easier permeation into cells. In this study we used both unbiased molecular dynamics simulations and steered umbrella sampling simulations to explore the interactions of polyethylene terephthalate (PET) and polyethylene (PE) oligomers in phospholipid bilayers. Our simulations revealed that the bilayers did not represent significant energy barriers to the small oligomers; not only did they readily enter the cell membrane but they also became concentrated into specific parts of the membrane. The larger PET tetramers exhibited a strong aggregation in water but were the least likely to permeate through or into the membranes. It is possible that PE monomers and tetramers can become concentrated into membranes while PET monomers are more likely to pass through or concentrate just inside the membrane surface. Passive transport of microplastics into cells is, however, likely limited to particles of a few nanometers in diameter.
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