ArticleJournal of molecular modeling2025
Understanding the co-adsorption mechanism between nanoplastics and neonicotinoid insecticides from an atomistic perspective.
Article in Journal of molecular modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
4 citing papers in PubMed.
- Single and combined chronic toxicity of polystyrene nanoplastics (PSNP) and clothianidin on collembolans and enchytraeids.Environmental science and pollution research international · 2026Article
- Exposure to Nanoplastics and Co-Contaminants in Foods and Environment: Threats to Human Health.Foods (Basel, Switzerland) · 2025Review
- Spectroscopic, Thermally Induced, and Theoretical Features of Neonicotinoids' Competition for Adsorption Sites on Y Zeolite.Molecules (Basel, Switzerland) · 2025Article
- Environmental behaviors and ecotoxicity of imidaclothiz: a comprehensive review on fate, degradation processes, and ecological risks.Frontiers in microbiology · 2025Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
Abstract
contextDensity functional theory calculations were applied to elucidate the co-adsorption mechanism of different nanoplastic-neonicotinoid insecticides (NP-NEO) complexes where polyethylene terephthalate (PET), polyethylene (PE), and polystyrene (PS) are tested as adsorbents, and imidacloprid (IMI) and clothianidin (CLO) are considered adsorbates. HOMO energies indicate all nanoplastics (NPs) tend to donate electrons, while LUMO analysis shows PET and CLO favor electron acceptance, while PE, PS, and IMI are unstable, the last one due to resonance effects. Complex formation slightly increases HOMO energies but maintains trends, while LUMO energies improve only in PET due to its carbonyl groups. The LUMO-HOMO gap (G
methodsCalculations of density functional theory at the wB97XD/def2-SVP level of theory in Gaussian16 were implemented. PCM, BSSE, and dispersion effects were considered. To gain insights into the nature of the interaction, ALMO-EDA and IGMH analyses were performed. Finally, the structures were visualized in the VMD program.
Indexed as
Identifiers
40232319What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.