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.

Qianru Li, Shuting Jing, Liping He, Xianghe Kong, Wenbo Lan, Xiaofeng Wang

Abstract read

In one paragraph

Article in Frontiers in chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

What it found

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2 · The registry

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4 · The record

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5 · Who and what money

Authors and funding

6 authors.

Qianru LiSchool of Public Health, Xiangnan University, Chenzhou, Hunan, China.

Shuting JingFood Business Section, Municipal Center for Food and Drug Control, Chenzhou, Hunan, China.

Liping HeSchool of Public Health, Xiangnan University, Chenzhou, Hunan, China.

Xianghe KongSchool of Chemistry and Chemical Engineering, University of South China, Hengyang, Hunan, China.

Wenbo LanSchool of Public Health, Xiangnan University, Chenzhou, Hunan, China.

Xiaofeng WangSchool of Public Health, Xiangnan University, Chenzhou, Hunan, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Addressing severe environmental and health threats posed by mercury, cadmium, lead, chromium, and arsenic ("five toxic" heavy metals), this study employs density functional theory (DFT) calculations and molecular simulations to investigate the capture and detection mechanisms of the dual-fluorescent probe 2-((2-(hydroxymethyl)quinolin-8-yl)oxy)-N-(quinolin-8-yl)acetamide in both water solvent and dimethyl sulfoxide (DMSO). Key findings indicate that the probe forms highly stable, planar complexes with arsenic, lead, and chromium, exhibiting significant red-shifts in UV absorption bands and enhanced fluorescence intensity-strongest for arsenic in water solvent, while arsenic/chromium complexes show markedly increased fluorescence in DMSO. This work demonstrates the probe's selective recognition of As, Pb, and Cr, with solvent polarity modulating detection signals, providing a novel theoretical framework for monitoring and remediating heavy metal pollution.

Indexed as

2-((2-(hydroxymethyl)quinolin-8-yl)oxy)-N-(quinolin-8-yl)acetamidedensity functional theory“five toxic” heavy metalmolecular simulationsolvent systems

Identifiers

PMID40989006

DOI10.3389/fchem.2025.1665073

PMCPMC12450989

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