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

Abstract

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.