Efficient Samarium-Grafted-C₃N₄-Doped α-MoO₃ Used as a Dye Degrader and Antibacterial Agent: In Silico Molecular...

This study was used to evaluate the catalytic activity (CA) and bactericidal activity of α-MoO₃ and Sm-g-C₃N₄-doped α-MoO₃ composites prepared through an efficient, cost-effective coprecipitation route. Their characteristic studies verify the formation of α-MoO₃ and its composites (3, 6, and 9 mL Sm-g-C₃N₄-doped α-MoO₃), which showed high crystallinity, as confirmed by X-ray diffraction (XRD) analysis. The production of superoxide and hydroxyl radicals due to charge transfer through α-MoO₃ and g-C₃N₄ eventually forms electrons in g-C₃N₄ and holes around α-MoO₃. CA against Rhodamine B (RhB) in basic medium provides maximum results compared to acidic and neutral media. The bactericidal efficacy of the (9 mL) doped sample represents a greater inhibition zone of 6.10 mm against the negative bacterial strain Escherichia coli. Furthermore, in silico studies showed that the generated nanorods may inhibit DNA gyrase and dihydropteroate synthase (DHPS) enzymes.