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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.

SUBMITTER: Ali Ahmad SO

PROVIDER: S-EPMC9036615 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature

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

Ali Ahmad Syed Ossama SO Ikram Muhammad M Imran Muhammad M Naz Sadia S Ul-Hamid Anwar A Haider Ali A Shahzadi Anum A Haider Junaid J

RSC advances 20210702 38

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 a ...[more]

PMID: 35479824

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Project description:Copper-doped TiO2 was prepared with a sol-gel chemical method. Various concentrations (3, 6, and 9 wt%) of Cu dopant were employed. Several techniques were implemented to assess the structural, optical, morphological and chemical properties of the synthesized samples. Evaluation of elemental composition using SEM-EDS and XRF techniques showed the presence of dopant element in the prepared samples. XRD analysis confirmed the presence of anatase (TiO2) phase with interstitial doping. Incorporation of dopant was observed to enhance the crystallinity and increase the crystallite size of the synthesized products. SAED profiles revealed a high degree of crystallinity in the prepared specimens, which was also evident in the XRD spectra. Optical properties studied using UV-vis spectroscopy depicted a shift of the maximum absorption to the visible region (redshift) that signified a reduction in the band gap energy of Cu-doped TiO2 samples. Examination of morphological features with scanning and high-resolution transmission electron microscopes revealed the formation of spherical nanoparticles with a tendency to agglomerate with increasing dopant concentration. Molecular vibrations and the formation of Ti-O-Ti bonds were revealed through FTIR spectra. PL spectroscopy recorded the trapping efficiency and migration of charge carriers, which exhibited electron-hole recombination behavior. Doped nanostructures showed enhanced bactericidal performance and synergism against S. aureus and E. coli. In summary, Cu-doped TiO2 nanostructures were observed to impede bacteria effectively, which is deemed beneficial in overcoming ailments caused by pathogens such as microbial etiologies. Furthermore, molecular docking analysis was conducted to study the interaction of Cu-doped TiO2 nanoparticles with multiple proteins namely β-lactamase (binding score: -4.91 kcal mol-1), ddlB (binding score: -5.67 kcal mol-1) and FabI (binding score: -6.13 kcal mol-1) as possible targets with active site residues. Dye degradation/reduction of control and Cu-doped samples were studied through absorption spectroscopy. The obtained outcomes of the performed experiment indicated that the photocatalytic activity of Cu-TiO2 enhanced with increasing dopant concentration, which is thought to be due to a decreased rate of electron-hole pair recombination. Consequently, it is suggested that Cu-TiO2 can be exploited as an effective candidate for antibacterial and dye degradation applications.

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Dataset Information

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

Publications

Novel prism shaped C<sub>3</sub>N<sub>4</sub>-doped Fe@Co<sub>3</sub>O<sub>4</sub> nanocomposites and their dye degradation and bactericidal potential with molecular docking study.

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