Graphitic-carbon nitride and polyvinylpyrrolidone capped barium oxide nanocomposites served as dye degrader and bactericidal potential: A molecular docking study

The removal of cationic dyes from wastewater and inactivation of bacterial pathogens in mastitic milk attracted significant attention from researchers to overcome their impact on the environment and ecosystem challenges. In recent research work, the synthesis of BaO nanorods (NRs) capped with 3 wt% polyvinylpyrrolidone (PVP) and varying quantities (2 and 4 wt%) of graphitic-carbon nitride (g-C₃N₄) was carried out using an eco-friendly, low-cost co-precipitation approach. The primary objective of this study is to explore the potential application of a ternary system for the disinfection of contaminated water besides investigating its antibacterial capabilities. Adding g-C₃N₄ and PVP to BaO enhances morphological and chemical stability, suppresses the population of charge carriers, facilitates dye degradation, and exhibits notable efficacy in antibacterial activity owing to its reduced bandgap energy. The higher concentration of g-C₃N₄/PVP- BaO ascribed notable results of Rhodamine B (RhB) degradation (19.3–100 %) in a basic medium rather than acidic and neutral media. A high concentration of g-C₃N₄ nanocatalyst represents the remarkable antimicrobial efficacy (0–3.05 mm) against Staphylococcus aureus (S. aureus). The findings from molecular docking investigation indicate g-C₃N₄/PVP-BaO NRs suppressive effects for DNA gyrase_{S. aureus}, which is comparable with their reported bactericidal efficacy.