Novel prism shaped C3N4-doped Fe@Co3O4 nanocomposites and their dye degradation and bactericidal potential with molecular docking study

Abstract

Novel prism shaped C₃N₄-doped Fe@Co₃O₄ nanocomposites were fabricated via a co-precipitation route for effective removal of organic pollutants from water and for bactericidal applications. Doping of C₃N₄ in the heterojunction significantly enhanced the photocatalytic and sonocatalytic activity against methylene blue ciprofloxacin (MBCF) dye. The main purpose of doping Fe atoms in the cobalt lattice was to generate crystal and surface defects. Moreover, the optimum doping amount of C₃N₄ for maximum degradation performance was evaluated. A detailed examination of the prepared nanocomposites was carried out systematically using various characterization tools for better understanding. HR-TEM images revealed the formation of novel prism shaped structures that exhibited outstanding degradation of the organic dye in water. Significant bactericidal potential was also observed for the synthesized nanocomposites against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) bacteria. In silico, molecular docking studies against β-lactamase, DHFR and FabI enzymes served to elucidate the mechanism governing the bactericidal activity of the as-synthesized nanoparticles (NPs). Furthermore, a scavenging study by DPPH (2,2-diphenyl-1-picrylhydrazyl) assay and COD (chemical oxygen demand) analysis was performed in order to evaluate active species and the anti-oxidant potential of prepared composites.