ArticleEco-Environment & Health2025
Molecular modeling to elucidate the dynamic interaction process and aggregation mechanism between natural organic matters and nanoplastics.
Article in Eco-Environment & Health, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Insights About Interactions between Microplastics and Humic Acids: An Approach Theoretical Modeling and Experimental.ACS omega · 2026Article
- Protein Corona Stability and Removal from PET Microplastics: Analytical and Spectroscopic Evaluation in Simulated Intestinal Conditions.Foods (Basel, Switzerland) · 2025Article
- Exposure to Nanoplastics and Co-Contaminants in Foods and Environment: Threats to Human Health.Foods (Basel, Switzerland) · 2025Review
- Size-Dependent Interactions of Degraded PET Nanoparticles with Human Serum Albumin: Thermodynamic and Molecular Insights.The journal of physical chemistry. B · 2025Article
Corrections and comments
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Authors and funding
6 authors.
Funding
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Abstract
The interactions of nanoplastics (NPs) with natural organic matters (NOMs) dominate the environmental fate of both substances and the organic carbon cycle. Their binding and aggregation mechanisms at the molecular level remain elusive due to the high structural complexity of NOMs and aged NPs. Molecular modeling was used to understand the detailed dynamic interaction mechanism between NOMs and NPs. Advanced humic acid models were used, and three types of NPs, i.e., polyethylene (PE), polyvinyl chloride (PVC), and polystyrene (PS), were investigated. Molecular dynamics (MD) simulations revealed the geometrical change of the spontaneous formation of NOMs-NPs supramolecular assemblies. The results showed that pristine NPs initially tend to aggregate homogeneously due to their hydrophobic nature, and then NOM fragments are bound to the formed NP aggregates mainly by vdW interaction. Homo- and hetero-aggregation between NOMs and aged NPs occur simultaneously through various mechanisms, including intermolecular forces and Ca
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