Articles producció científica> Enginyeria Química

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

  • Dades identificatives

    Identificador: imarina:9280736
    Autors:
    Ikram MKhalid AShahzadi AHaider ANaz SNaz MShahzadi IUl-Hamid AHaider JNabgan WButt AR
    Resum:
    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.
  • Altres:

    Autor segons l'article: Ikram M; Khalid A; Shahzadi A; Haider A; Naz S; Naz M; Shahzadi I; Ul-Hamid A; Haider J; Nabgan W; Butt AR
    Departament: Enginyeria Química
    Autor/s de la URV: Nabgan, Walid
    Paraules clau: Oxidation processes aops nanoparticles nanocomposite nanocatalyst hydrocarbons decomposition calcium-oxide biodiesel production
    Resum: 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.
    Àrees temàtiques: Química Interdisciplinar General chemistry General chemical engineering Engenharias ii Ciências agrárias i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemical engineering (miscellaneous) Chemical engineering (all)
    Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
    Adreça de correu electrònic de l'autor: walid.nabgan@urv.cat
    Identificador de l'autor: 0000-0001-9901-862X
    Data d'alta del registre: 2024-09-07
    Versió de l'article dipositat: info:eu-repo/semantics/publishedVersion
    Enllaç font original: https://pubs.acs.org/doi/10.1021/acsomega.2c02732
    URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
    Referència a l'article segons font original: Acs Omega. 7 (31): 27503-27515
    Referència 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
    DOI de l'article: 10.1021/acsomega.2c02732
    Entitat: Universitat Rovira i Virgili
    Any de publicació de la revista: 2022
    Tipus de publicació: Journal Publications
  • Paraules clau:

    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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