ArticleScientific reports2025
A DFT insight into the potential of cycloparaphenylenes as efficient sensors for detecting Paracetamol.
Article in Scientific reports, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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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.
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Who cites it
2 citing papers in PubMed.
- Investigating the Therapeutic Activity of CACS omega · 2026Article
- Chemical tailoring of heteroatom (P, S, Si) doping of COF-PEDOT for adsorption of paracetamol: perspective from DFT studies.RSC advances · 2026Article
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Authors and funding
3 authors.
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Abstract
Paracetamol (PCT) frequently contaminates natural water sources, posing potential risks to both human health and ecosystems. This study presents a computational investigation into the sensing capabilities of methylene-bridged [n]cycloparaphenylene ([n]MCPP, where n= 6, 8, and 10) nanorings for the detection of paracetamol using density functional theory (DFT) calculations. It was found that the stability of PCT@[n]MCPP complexes increases with the size of the [n]MCPP nanorings. The energy gap of the [n]MCPP nanorings is significantly influenced by the presence of the PCT drug, with the most substantial change (-44.79%) observed for the PCT@
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