A dual functional Schiff base: Selective sensing of V(III) and Sn(II) and antibacterial evaluation via molecular docking

A new Schiff base (BASB) was successfully created and characterized in this study employing mass spectrometry, FT-IR spectroscopy, ¹H NMR and ¹³C NMR techniques. BASB probe exhibited selective detection of Sn(II) and V(III) in the presence of competing metal, demonstrating negligible interference. The probe exhibited low detection limits of 16.7 × 10⁻⁷ M for Sn(II) and 85 × 10⁻⁸ M for V(III). Additionally, it demonstrated good association constant values of 0.19 × 10⁴ M⁻¹ for Sn(II) and 0.26 × 10⁵ M⁻¹ for V(III). The metal-ligand interaction stoichiometry, demonstrated by Job's plot analysis, verified a 1:1 complexation ratio between both metal and BASB. The formation of Sn(II)-BASB and V(III)-BASB complexes was further validated through ¹H NMR and FT-IR spectral analysis.

Beyond its sensing capabilities, the bacterial inhibition of BASB was explored via molecular docking against two strains of E. coli. The results were compared with Amoxicillin, a commonly used antibacterial drug and demonstrated the promising antibacterial activity of BASB. These findings highlight the dual-functional nature of BASB as both a highly selective metal sensor and a potential antibacterial agent, making it a valuable candidate for environmental and biomedical applications.