Repositori URV

Author, as appears in the article.: Shujah, Tahira; Shahzadi, Anum; Haider, Ali; Mustajab, Muhammad; Haider, Afsah Mobeen; Ul-Hamid, Anwar; Haider, Junaid; Nabgan, Walid; Ikram, Muhammad;

Department: Enginyeria Química

URV's Author/s: Nabgan, Walid

Keywords: Staphylococcus-aureus Precipitation Photocatalytic activity Methylene-blue Magnetic-properties Inhibitors Antibacterial Alpha-fe2o3 nanoparticles Adsorption Activation

Abstract: In this research, various concentrations of molybdenum (2, 4 and 6 wt%) doped Fe3O4 nanostructures (Mo-Fe3O4 NSs) were prepared via a co-precipitation technique. Various techniques were then used to investigate the optical, morphological and structural properties of the NSs in the presence of the dopant materials. X-ray diffraction (XRD) was used to investigate the crystalline nature of the prepared NSs and confirm the orthorhombic and tetragonal structure of Fe3O4, with a decrease in crystallinity and crystallite sizes of 36.11, 38.45, 25.74 and 24.38 nm with increasing concentration of Mo (2, 4 and 6%). Fourier-transform infrared (FTIR) spectroscopy analysis was carried out to examine the functional groups in the NSs. Structure, surface morphology and topography were examined via field emission scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM), which confirmed the fabrication of nanoparticles and nanorods and a floccule-like morphology with a higher doping concentration and the interlayer d-spacing was calculated using high-resolution (HR)TEM, the results of which were a good match to the XRD data. The presence of Mo, Fe and O in a lattice of Mo (2, 4 and 6%) doped Fe3O4 was confirmed by energy dispersive X-ray spectroscopy (EDS) analysis. The energy band gap (E-g) was measured via the optical analysis of pure and doped samples, showing a decrease from 2.76 to 2.64 eV. The photoluminescence (PL) spectra exhibit a higher charge combination rate of electron-hole pairs with a higher concentration of doping. The NSs exhibited excellent catalytic activity (CA) in degrading methylene blue (MB) dye in a basic medium by around 86.25%. Additionally, the antimicrobial activity was tested against Escherichia coli (E. coli) bacteria. Pairs of electrons and holes are the fundamental basis for generating reactive oxygen species that kill bacteria. The significant inhibition zones were calculated against E. coli bacteria at around 3.45 mm compared to ciprofloxacin. In silico docking investigations of the Mo-Fe3O4 NSs for dihydropteroate synthase (DHPS, binding score: 6.16 kcal mol(-1)), dihydrofolate reductase (DHFR, binding score: 6.01 kcal mol(-1)), and beta-ketoacyl-acyl carrier protein synthase III (FabH, binding score: 5.75 kcal mol(-1)) of E. coli show the suppression of the aforementioned enzymes as a potential mechanism besides their microbicidal assay.

Thematic Areas: Zootecnia / recursos pesqueiros Saúde coletiva Química Odontología Medicina veterinaria Medicina iii Medicina ii Medicina i Materiais Interdisciplinar Geociências General chemistry General chemical engineering Farmacia Ensino Engenharias iv Engenharias iii Engenharias ii Engenharias i Economia Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências ambientais Ciências agrárias i Ciência de alimentos Ciência da computação Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemical engineering (miscellaneous) Chemical engineering (all) Biotecnología Biodiversidade Astronomia / física

licence for use: https://creativecommons.org/licenses/by/3.0/es/

Author's mail: walid.nabgan@urv.cat

Author identifier: 0000-0001-9901-862X

Record's date: 2024-09-07

Papper version: info:eu-repo/semantics/publishedVersion

Link to the original source: https://pubs.rsc.org/en/content/articlelanding/2022/ra/d2ra07238f

Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/

Papper original source: Rsc Advances. 12 (54): 35177-35191

APA: Shujah, Tahira; Shahzadi, Anum; Haider, Ali; Mustajab, Muhammad; Haider, Afsah Mobeen; Ul-Hamid, Anwar; Haider, Junaid; Nabgan, Walid; Ikram, Muhammad (2022). Molybdenum-doped iron oxide nanostructures synthesized via a chemical co-precipitation route for efficient dye degradation and antimicrobial performance: in silico molecular docking studies. Rsc Advances, 12(54), 35177-35191. DOI: 10.1039/d2ra07238f

Article's DOI: 10.1039/d2ra07238f

Entity: Universitat Rovira i Virgili

Journal publication year: 2022

Publication Type: Journal Publications