A multi-modal sensor for Ni(II) detection: Colorimetric, UV, and fluorimetric approaches combined with antioxidant evaluation using<i> in</i> <i>vitro</i> and <i>in silico</i> methods

Singh G., Heena H., Dege N., Stanzin J., Sharma D., Sharma S., ...More

JOURNAL OF MOLECULAR STRUCTURE, vol.1341, 2025 (SCI-Expanded, Scopus) identifier identifier

  • Publication Type: Article / Article
  • Volume: 1341
  • Publication Date: 2025
  • Doi Number: 10.1016/j.molstruc.2025.142674
  • Journal Name: JOURNAL OF MOLECULAR STRUCTURE
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Chimica, Compendex, INSPEC
  • Ondokuz Mayıs University Affiliated: Yes

Abstract

The newly synthesized azo dye appended triazole-functionalized organosilane (5) was synthesized and characterized via 1H, 13C, FT-IR spectroscopy and mass spectrometry. It presents a potent tool for Ni(II) detection by combining the ease of colorimetric assay with the sensitivity of UV-vis and fluorescence spectroscopy with binding constant 0.36x106 M-1 and 4.54x106 M-1 and detection limit of 2.05x10-7 M and 8.10x10-8 M respectively. Additional evidence for binding has been given via 1H NMR, FT-IR spectroscopy and mass spectrometry. Furthermore, (5) exhibited excellent biocompatibility, aiding its successful application to access antioxidant application via DPPH assay and Molecular docking platform. Beyond these applications, the robust stability of (5), ease of synthesis, and cost-effectiveness position it as a promising candidate for real-world applications in environmental monitoring systems. Its antioxidant potential underscores its suitability for pharmaceutical formulations and food preservation applications. Such attributes further enhance its value for integrated sensing platforms designed for clinical and ecological assessments.