Click derived 1H-tetrazole coalesced organosilane based spectroscopic sensor for Vanadium(V) metal ions: A potent inhibitor against Escherichia coli via computational approach

Designing and synthesis of efficient, sensitive, and affordable networks for the detection of environmental toxins has become a pressing social necessity. Here, using the click technique, we have produced a recent series of 1H-tetrazol-5-yl organosilane derivatives. Utilizing spectroscopic methods like IR, 1 H NMR, 13 C NMR and Mass spectrometry, all derivatives were characterized. The derivative 3a was investigated for sensing studies with the aid of absorption spectroscopy and discovered to be selective and specific solely for trace Vanadium(V) metal ions. Additionally, the LOD (limit of detection) and association constant calculations were used to determine the sensing and binding capacity of ligand 3a. For testing the developed sensor for actual use, the reversibility, time response, pH and metal interference studies were also investigated. To determine the stoichiometric ratio of ligand: metal, Job’s plot was utilized. The real sample analysis was done to check the applicability of designed sensor. In order to examine the biological effects of tetrazole-based organosilane 3a, molecular docking calculations with the Escherichia coli bacteria were done. The selected ligand was proven to have an acceptable docking score with a binding energy of −7.78 kcal/mol. The theoretical calculations were performed on Gaussian 03 program by relaxing the structures using Density functional theory.