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Size-Dependent Stability of Pesticides Adsorption on Nanoplastics: Microsecond Atomistic-Scale Molecular Dynamics Simulations.
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Scientists used detailed computer simulations to study how tightly pesticides stick to tiny plastic particles (nanoplastics) as those particles break down into smaller and smaller sizes. They found that as plastic fragments shrink, pesticides bound to them become more likely to detach — meaning the smallest nanoplastics, which are also the most likely to enter our bodies, may release absorbed pesticides more easily than larger plastic particles do. This matters because it suggests that as plastic pollution breaks down over time, it could become a more active carrier of toxic chemicals into our food, water, and eventually our bodies.
Microsecond atomistic-scale molecular dynamics simulations were performed to compare the size-dependent adsorption stability of different pesticides on nanoplastics (NP). Spherical particles of atactic polystyrene (aPS) with diameters of 1.7-5.0 nm representing nanoplastics on the final stage of polymer waste degradation were considered. The results showed stable adsorption at 5 nm while the desorption frequency of the least stable DCVA pollutant increases exponentially with decreasing nanoparticle diameter during 1 µs simulations. The binding energy for the smallest considered NP increases as cypermethrin < PCB‑169 < DDT < PBA < DCVA, with only one desorption event observed for cypermethrin. For the 5.0 nm NP, however, this order changed, and no desorption occurred during 1 µs simulations, even for the least stable molecules (PBA, and DCVA). This underscores the key role of NP size during microplastics degradation in the stability of pollutant adsorption.
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