Assessment of silver and graphitic carbon nitride doped cadmium selenide quantum dots as an efficient dye degrader and antibacterial agent: In silico molecular docking analysis

Abstract

This study demonstrates the synthesis of co-precipitated cadmium selenide (CdSe) quantum dots (QDs) doped with (2 and 4 wt %) of silver (Ag) and fixed quantity of graphitic carbon nitride (g-C₃N₄) for catalytic as well as antibacterial potential with molecular docking (MD) analysis. Comprehensive characterizations investigated the structural composition, surface morphology, elemental composition, and optical properties. XRD revealed the multiple phases (hexagonal and cubic) of CdSe with a notable rise in the diffraction peaks intensity upon doping. The optical studies demonstrated the range of absorption peaks, which increased upon doping confirmed through band gap energies significantly altered. TEM study revealed that a sheet of g-C₃N₄ overlapped with CdSe QDs, and certain nanorod-like structures emerged after Ag doping. HR-TEM was employed for the d-spacing computation of prepared samples and exposed a decreasing trend as the Ag concentration increased. Furthermore, the catalytic activity (CA) performed against RhB dye showed maximum results in the acidic medium with a higher concentration of Ag into g-C₃N₄ doped CdSe. The efficient bactericidal efficacy was evaluated against S. aureus bacteria with the highest inhibition zone of 13.75 mm for 4% Ag doping, which was further explained by investigating their inhibitory effects on DNA gyrase and tyrosyl-tRNA synthetase via MD.