Dataset Information

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

ABSTRACT: 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.

SUBMITTER: Shabbir M

PROVIDER: S-EPMC10535254 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature

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

Shabbir Mohsin M Imran Muhammad M Haider Ali A Shahzadi Iram I Ahmad Wakeel W Ul-Hamid Anwar A Nabgan Walid W Shahzadi Anum A Al-Shanini Ali A Al-Anazy Murefah Mana MM Adam Mohamed M Ikram Muhammad M

ACS omega 20230918 38

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 pr ...[more]

PMID: 37779977

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Project description:Bacterial and organic pollutants are major problems with potential adverse impacts on human health and the environment. A promising strategy to alleviate these impacts consists in designing innovative photocatalysts with a wider spectrum of application. In this paper, we report the improved photocatalytic and antibacterial activities of chemically precipitated Ag3PO4 microcrystals by the incorporation of W at doping levels 0.5, 1, and 2 mol %. The presence of W directly influences the crystallization of Ag3PO4, affecting the morphology, particle size, and surface area of the microcrystals. Also, the characterization via experimental and theoretical approaches evidenced a high density of disordered [AgO4], [PO4], and [WO4] structural clusters due to the substitution of P5+ by W6+ into the Ag3PO4 lattice. This leads to new defect-related energy states, which decreases the band gap energy of the materials (from 2.27 to 2.04 eV) and delays the recombination of e'-h• pairs, leading to an enhanced degradation process. As a result of such behaviors, W-doped Ag3PO4 (Ag3PO4:W) is a better visible-light photocatalyst than Ag3PO4, demonstrated here by the photodegradation of potential environmental pollutants. The degradation of rhodamine B dye was 100% in 4 min for Ag3PO4:W 1%, and for Ag3PO4, the obtained result was 90% of degradation in 15 min of reaction. Ag3PO4:W 1% allowed the total degradation of cephalexin antibiotic in only 4 min, whereas pure Ag3PO4 took 20 min to achieve the same result. For the degradation of imidacloprid insecticide, Ag3PO4:W 1% allowed 90% of degradation, whereas Ag3PO4 allowed 40%, both in 20 min of reaction. Moreover, the presence of W-dopant results in a 16-fold improvement of bactericidal performance against methicillin-resistant Staphylococcus aureus. The outstanding results using the Ag3PO4:W material demonstrated its potential multifunctionality for the control of organic pollutants and bacteria in environmental applications.

Dataset Information

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

Publications

Efficient Samarium-Grafted-C<sub>3</sub>N<sub>4</sub>-Doped α-MoO<sub>3</sub> Used as a Dye Degrader and Antibacterial Agent: In Silico Molecular Docking Study.

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