{
  "abstract": "With nitrogen atoms in its structure, imidazole can form stable complexes with metal ions, making it a highly suitable ligand for the design of selective chemosensors. In addition, imidazole sensors often exhibit high sensitivity and good selectivity toward target ions. In this paper, an imidazole-based chemosensor was prepared, and its photoluminescence activities were studied. For this aim, 2-methylimidazole was nitrated to produce 2-methyl-4(5)-nitroimidazole; its fluorescence activity was studied among various metal ions. It was found that it can detect Ag + with high selectivity. The LOD was obtained to be about 2.38 × 10 −7 M. Also, according to the obtained results from Job's plot test, the stoichiometric ratio between the ligand and the Ag + ion is 1:1. DFT calculations identified the N3 atom as the preferred binding site for Ag + ions, supported by MEP analysis and optimized geometries. FMO analysis indicated increased reactivity upon Ag + complexation. Furthermore, the synthesized compound demonstrated promising antimicrobial activity against both Gram-negative and Gram-positive bacterial strains, with enhanced efficacy observed against Gram-negative bacteria, particularly Escherichia coli (MIC <1 mg/mL). Cytotoxicity assays revealed minimal toxicity in normal HUVEC cells at concentrations below 256 μg/mL, indicating a favorable safety profile. Molecular docking studies versus E. coli protein revealed a strong binding affinity (−6.05 kcal/mol) of compound 2 , corroborating its antimicrobial potential. Collectively, these findings suggest compound 2 as a promising antimicrobial agent with potential for further development.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Organic Chemistry, Faculty of Chemistry, Alzahra University, Tehran, Iran",
    "Department of Genetics, Faculty of Basic Sciences, Shahrekord University, Shahrekord, Iran"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 5,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Mohammad Goodarzi",
      "orcid": "0009-0009-0309-4835"
    },
    {
      "affs": [
        0
      ],
      "name": "Ghodsi Mohammadi Ziarani",
      "orcid": "0000-0001-5177-7889"
    },
    {
      "affs": [
        0
      ],
      "name": "Zahra Panahande",
      "orcid": "0000-0003-4106-7618"
    },
    {
      "affs": [
        1
      ],
      "name": "Somayeh Reiisi",
      "orcid": "0000-0001-6843-7645"
    },
    {
      "affs": [
        0
      ],
      "name": "Mehran Feizi‐Dehnayebi",
      "orcid": "0000-0002-7868-9085"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/cfg63hgawvsrs.bib",
  "cited_by": 14,
  "doi": "10.1016/j.rechem.2026.103439",
  "fulltext_url": null,
  "id": "cfg63hgawvsrs",
  "issns": [
    "2211-7156"
  ],
  "landing_url": "https://doi.org/10.1016/j.rechem.2026.103439",
  "language": "en",
  "licence": "CC-BY-NC",
  "licence_label": "CC BY-NC",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by-nc/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1607|Molecular Sensors and Ion Detection"
    ]
  ],
  "openalex": "W7161150237",
  "pdf_url": null,
  "pmcid": null,
  "pmid": null,
  "published": "2026-05-14",
  "publisher": "Elsevier BV",
  "ris": "https://research.draconitic.com/paper/cfg63hgawvsrs.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T13:26:44Z",
      "native_id": "W7161150237",
      "source": "openalex",
      "url": "https://doi.org/10.1016/j.rechem.2026.103439"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1607|Molecular Sensors and Ion Detection",
      "subfield": "physical"
    }
  ],
  "title": "Imidazole-based chemosensor for the detection of Ag+ ions: Antimicrobial activity, DFT insight, and molecular docking modeling",
  "title_text": "Imidazole-based chemosensor for the detection of Ag+ ions: Antimicrobial activity, DFT insight, and molecular docking modeling",
  "type": "peer-reviewed",
  "updated_at": "2026-11-09T13:21:03Z",
  "url": "https://research.draconitic.com/paper/cfg63hgawvsrs",
  "venue": "Results in Chemistry",
  "versions": []
}