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Interaction mechanism of triclosan on pristine microplastics
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Researchers used computational chemistry to model how the antimicrobial chemical triclosan interacts with five common types of pristine microplastics at the molecular level. They found that triclosan attaches to all microplastic surfaces through physical adsorption rather than chemical bonding, with polyamide showing the strongest attraction. The study provides molecular-level evidence that microplastics can act as carriers for personal care product chemicals in water environments.
Urban wastewaters comprise different hydrophobic pollutants such as microplastics (MPs), pharmaceuticals, and personal care products. Among these pollutants, triclosan (TCS) shows a worrying interaction ability with MPs; recent studies show MPs serve as a vector between TCS and aquatic environments, whose interaction is still being studied to understand their combined toxicity and transport ability. Using computational chemistry tools, this work evaluates the TCS-MPs interaction mechanism, including pristine polymers, i.e., aliphatic polyamides (PA), polyethylene (PE), polystyrene (PS), polyvinyl chloride (PVC), and polyethylene terephthalate (PET). Our results show that TCS adsorption on MPs solely occurs via physisorption, where PA reaches the higher adsorption ability. Remarkably, MPs reach higher or comparable adsorption stability than carbon-based materials, boron nitrides, and minerals, indicating their worrying transport properties. Also, the adsorption capacity is strongly influenced by entropy changes rather than thermal effects, which determine the different sorption capacities among polymers and agree well with reported sorption capacities from adsorption kinetic experiments in the literature. MPs show a polar and highly susceptible surface to establish electrostatics and dispersion effects on TCS. Accordingly, the TCS-MPs interaction mechanism arises from the interplay between electrostatics and dispersion forces, with a combined contribution of 81-93 %. Specifically, PA and PET maximize the electrostatic effects, while PE, PP, PVC, and PS maximize the dispersion effects. From the chemical viewpoint, TCS-MPs complexes interact by a series of pairwise interactions such as Van der Waals, hydrogen bonding, C-H⋯π, C-H⋯C-H, C-Cl⋯C-H, and C-Cl⋯Cl-C. Finally, the mechanistic information explains the effects of temperature, pressure, aging, pH, and salinity on TCS adsorption. This study quantitatively elucidates the interaction mechanism of TCS-MP systems, which were hard to quantify to date, and explains the TCS-MPs sorption performance for sorption/kinetic studies.
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The adsorption of triclosan (an antimicrobial compound) onto polyvinyl chloride microplastics was found to depend strongly on microplastic particle size, with smaller particles adsorbing more triclosan per unit mass due to their higher surface-area-to-volume ratio. This size-dependent sorption behavior influences the potential for microplastics to transport antimicrobial chemicals in aquatic environments.
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This systematic review found that microplastics can act as vectors for triclosan (an antibacterial agent) in aquatic environments, transporting it across trophic levels through hydrogen bonding, hydrophobic interactions, and electrostatic forces. The co-occurrence of microplastics and triclosan amplifies their combined toxicity to aquatic organisms beyond their individual effects.
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Researchers investigated how triclosan — an antimicrobial compound — adsorbs onto four types of microplastics under varying water chemistry conditions. They found hydrophobic partitioning was the dominant adsorption mechanism, with solution pH, ionic strength, and dissolved organic matter all influencing uptake capacity.
Adsorption behavior of triclosan on polystyrene nanoplastics: The roles of particle size, surface functionalization, and environmental factors
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