Synthesis and characterisation of triazole allied organosilane as a sensor for Cu (II) ion: Real sample analysis and anti-bacterial activity via in-silico study

Singh G., Kaur H., Kaur A., Singh A., Karadağ Alpaslan M., Dege N., ...Daha Fazla

INORGANIC CHEMISTRY COMMUNICATIONS, cilt.178, 2025 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 178
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1016/j.inoche.2025.114588
  • Dergi Adı: INORGANIC CHEMISTRY COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Chimica, DIALNET
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

A new triazole allied organosilane has been synthesised for detecting Cu (II) by photophysical study such as fluorescence and UV-visible spectroscopy. Compound 6 was thoroughly characterised using several spectroscopic methods including NMR spectroscopy (1D and 2D), mass spectrometry, FTIR spectroscopy and elemental analysis. Complexation between 6 and Cu (II) was confirmed through Job's plot which showed 1:1 ligand/metal complex formation. The LOD (limit of detection) values for Cu (II) emerged as 3.1309 x 10-6 M (absorption spectroscopy) and 0.58 x 10-6 M (emission spectroscopy), and binding affinity was confirmed by the association constant values of 2.4378 x 106 M-1 and 0.12 x 106 M-1 calculated from B-H plot and Stern-Volmer plot respectively. The compound 6 ' s real sample analysis (with recovery rate greater than 94 %) results demonstrate that it can detect Cu (II) ions in a variety of water samples, boosting its practical utility. The synthesised compound was then evaluated for its potential as an anti-bacterial agent via molecular docking. The binding energy of 6 with protein 1ITX resulted in-9.52 kcal/mol proving it to be a good anti-bacterial agent.