ArticleScientific reports2025
Analysis of heavy metal ions (Pb, Hg, Cr, Cd, As) capture & detection based on quinoline probe binding data.
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 3 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
3 citing papers in PubMed.
- Surface-engineered silica core-shell enables an ideal ratiometric fluorescent probe for highly selective HgScientific reports · 2026Article
- Waste-derived nano-Al₂O₃-loaded pyranopyrazole composite for high-capacity cadmium and methylene blue removal with mechanistic and DFT validation.Scientific reports · 2026Article
- Investigating the heavy metal (Hg, Cd, Pb, Cr, As) binding affinity and sensing capability of 2-((2-(hydroxymethyl)quinolin-8-yl)oxy)-N-(quinolin-8-yl)acetamide.Frontiers in chemistry · 2025Article
Corrections and comments
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Authors and funding
6 authors.
Funding
Abstract
This research employs the density functional theory method to study the coordination and capture of the "five toxic" heavy metal ions (Pb, Hg, Cr, Cd, and arsenic) by quinoline-derivative molecular probes. The study has determined the microscopic molecular configurations, structural parameters, and natural charge distributions of the coordinating atoms in the optimal structures of the complexes formed by the probes and each heavy metal ion. Additionally, the coordination bond orders of all the complexes have been calculated and analyzed. Furthermore, by calculating the infrared vibration frequencies of the optimal structures, the stability of the structures has been verified. Moreover, the binding energies, frontier molecular orbital energy levels, and energy gap values of the complexes formed by the probes and each heavy metal ion through capture have been further obtained, and the changes in the ultraviolet-visible absorption spectra and molecular fluorescence spectra of the probes have been analyzed. The study also investigated the probe's ability to capture and detect the "five toxic" heavy metal ions.
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