Catalytic degradation of rhodamine blue and bactericidal action of AgBr and chitosan-doped CuFe2O4 nanostrucutres evidential molecular docking analysis.

The harmful cationic dyes present in industrial waste significantly decrease the effectiveness of remedy operations. Considering the horrendous impact of these dyes on the environment and biodiversity, silver bromide (AgBr) and chitosan (CS) doped copper ferrite (CuFe2O4) nanostructures (NSs) were prepared by the co-precipitation route. In this work, The surface characteristics of CuFe2O4 can be altered by CS, potentially enhancing its catalytic reaction compatibility. The functional groups in CS interact with the surface of CuFe2O4, influencing its catalytic behavior. AgBr can have an impact on the dynamics of charge carriers in the composite. Better charge separation and transfer which is essential for catalytic processes. The catalytic degradation of RhB was significantly enhanced (100 %) using 4 wt% of AgBr-doped CS-CuFe2O4 catalysts in a basic medium. The significant inhibitory zones (9.25 to 17.95 mm) inhibitory in maximum doses were seen against Gram-positive bacteria (S. aureus). The bactericidal action of AgBr/CS-doped CuFe2O4 NSs against DNA gyraseS.aureus and tyrosyl-tRNAsynthetase S. aureus was rationalized using molecular docking studies, which supported their function as inhibitors.

Catalytic evaluation and in vitro bacterial inactivation of graphitic carbon nitride/carbon sphere doped bismuth oxide quantum dots with evidential in silico analysis.

Herein, Bi2O3 quantum dots (QDs) have been synthesized and doped with various concentrations of graphitic carbon nitride (g-C3N4) and a fixed amount of carbon spheres (CS) using a co-precipitation technique. XRD analysis confirmed the presence of monoclinic structure along the space group P21/c and C2/c. Various functional groups and characteristic peaks of (Bi-O) were identified using FTIR spectra. QDs morphology of Bi2O3 showed agglomeration with higher amounts of g-C3N4 by TEM analysis. HR-TEM determined the variation in the d-spacing which increased with increasing dopants. These doping agents were employed to reduce the exciting recombination rate of Bi2O3 QDs by providing more active sites which enhance antibacterial activity. Notably, (6 wt%) g-C3N4/CS-doped Bi2O3 exhibited considerable antimicrobial potential in opposition to E. coli at higher values of concentrations relative to ciprofloxacin. The (3 wt%) g-C3N4/CS-doped Bi2O3 exhibits the highest catalytic potential (97.67%) against RhB in a neutral medium. The compound g-C3N4/CS-Bi2O3 has been suggested as a potential inhibitor of ß-lactamaseE. coli and DNA gyraseE. coli based on the findings of a molecular docking study that was in better agreement with in vitro bactericidal activity.

Facile Synthesis of Vanadium Oxide/Carbon Spheres-Doped Nickel Oxide Functioned as a Nanocatalyst and Bactericidal Behavior with Molecular Docking Analysis.

Vanadium oxide (V2O5) and carbon spheres (Cs)-doped NiO2 nanostructures (NSs) were prepared using the co-precipitation approach. Several spectroscopic and microscopic techniques, including X-ray diffraction (XRD), UV-vis, FTIR, TEM, and HR-TEM investigations, were used to describe the as-synthesized NSs. The XRD pattern exhibited the hexagonal structure, and the crystallite size of pristine and doped NSs was calculated as 29.3, 32.8, 25.79, and 45.19 nm, respectively. The control sample (NiO2) showed maximum absorption at 330 nm, and upon doping, a redshift was observed, leading to decreased band gap energy from 3.75 to 3.59 eV. TEM of NiO2 shows agglomerated nonuniform nanorods exhibited with various nanoparticles without a specific orientation; a higher agglomeration was observed upon doping. The (4 wt %) V2O5/Cs-doped NiO2 NSs served as superior catalysts with a 94.21% MB reduction in acidic media. The significant antibacterial efficacy was estimated against Escherichia coli by measuring the zone of inhibition (3.75 mm). Besides their bactericidal analysis, V2O5/Cs-doped NiO2 was shown to have a binding score of 6.37 for dihydrofolate reductase and a binding score of 4.31 for dihydropteroate synthase in an in silico docking study of E. coli.