Articles producció científica> Enginyeria Química

Enhanced Photocatalytic Degradation with Sustainable CaO Nanorods Doped with Ce and Cellulose Nanocrystals: In Silico Molecular Docking Studies

  • Datos identificativos

    Identificador: imarina:9280736
    Handle: http://hdl.handle.net/20.500.11797/imarina9280736
  • Autores:

    Ikram M
    Khalid A
    Shahzadi A
    Haider A
    Naz S
    Naz M
    Shahzadi I
    Ul-Hamid A
    Haider J
    Nabgan W
    Butt AR
  • Otros:

    Autor según el artículo: Ikram M; Khalid A; Shahzadi A; Haider A; Naz S; Naz M; Shahzadi I; Ul-Hamid A; Haider J; Nabgan W; Butt AR
    Departamento: Enginyeria Química
    Autor/es de la URV: Nabgan, Walid
    Palabras clave: Oxidation processes aops nanoparticles nanocomposite nanocatalyst hydrocarbons decomposition calcium-oxide biodiesel production
    Resumen: This research work intends to evaluate the photoactivity of calcium oxide (CaO) nanorods (NRs) doped with cellulose nanocrystals (CNCs) and cerium (Ce). CNC-doped CaO and Ce/CNC codoped CaO were synthesized via the sol-gel technique. Structural, optical, morphological, physiochemical, phase constitution, and functional group evaluations were performed. The photodegradation of the prepared nanostructures was analyzed by observing photodegradation of a mixture of methylene blue and ciprofloxacin dye under light irradiation. The photocatalytic activity of the dye was drastically enhanced upon codoping in CaO. For both Escherichia coli and Staphylococcus aureus, statistically significant inhibitory zones (p < 0.05) were achieved in the case of CNCs and pristine and codoped CaO. Furthermore, in silico molecular docking studies (MDS) were accomplished against DNA gyrase from nucleic acid biosynthesis and enoyl-[acyl-carrier-protein] reductase (FabI) from the fatty acid biosynthetic pathway to rationalize the possible mechanism behind these antibacterial activities.
    Áreas temáticas: Química Interdisciplinar General chemistry General chemical engineering Engenharias ii Ciências agrárias i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemical engineering (miscellaneous) Chemical engineering (all)
    Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
    Direcció de correo del autor: walid.nabgan@urv.cat
    Identificador del autor: 0000-0001-9901-862X
    Fecha de alta del registro: 2022-12-10
    Versión del articulo depositado: info:eu-repo/semantics/publishedVersion
    Enlace a la fuente original: https://pubs.acs.org/doi/10.1021/acsomega.2c02732
    Referencia al articulo segun fuente origial: Acs Omega. 7 (31): 27503-27515
    Referencia de l'ítem segons les normes APA: Ikram M; Khalid A; Shahzadi A; Haider A; Naz S; Naz M; Shahzadi I; Ul-Hamid A; Haider J; Nabgan W; Butt AR (2022). Enhanced Photocatalytic Degradation with Sustainable CaO Nanorods Doped with Ce and Cellulose Nanocrystals: In Silico Molecular Docking Studies. Acs Omega, 7(31), 27503-27515. DOI: 10.1021/acsomega.2c02732
    URL Documento de licencia: http://repositori.urv.cat/ca/proteccio-de-dades/
    DOI del artículo: 10.1021/acsomega.2c02732
    Entidad: Universitat Rovira i Virgili
    Año de publicación de la revista: 2022
    Tipo de publicación: Journal Publications
  • Palabras clave:

    Chemical Engineering (Miscellaneous),Chemistry (Miscellaneous),Chemistry, Multidisciplinary
    Oxidation processes aops
    nanoparticles
    nanocomposite
    nanocatalyst
    hydrocarbons
    decomposition
    calcium-oxide
    biodiesel production
    Química
    Interdisciplinar
    General chemistry
    General chemical engineering
    Engenharias ii
    Ciências agrárias i
    Chemistry, multidisciplinary
    Chemistry (miscellaneous)
    Chemistry (all)
    Chemical engineering (miscellaneous)
    Chemical engineering (all)
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