Repositori URV

Autor segons l'article: Siddique, MA; Imran, M; Haider, A; Shahzadi, A; Ul-Hamid, A; Nabgan, W; Batool, M; Khan, K; Ikram, M; Somaily, HH; Mahmood, A

Departament: Enginyeria Química

Autor/s de la URV: Nabgan, Walid

Paraules clau: Tio2 nanoparticles Photocatalytic degradation Molecular docking Mgo Methyl-orange Magnesium-oxide Gqds Extract Co-precipitation Active species

Resum: Designing efficient catalysts that possess large number of active sites, high catalytic activity and selectivity while also exhibiting strong antimicrobial activity is a challenging task because of poor control over material fabrication. Therefore, developing new and innovative approaches for the synthesis of catalytic materials is crucial for addressing these challenges. Here, we report the controlled fabrication of GQDs/Y-doped MgO nanoparticles achieved by co doping of yttrium (Y) and graphene quantum dots (GQDs) in magnesium oxide (MgO) based nanostructures (NSs) using the co-precipitation method. The co-doping of GQDs and Y was controlled by manipulating the ratio of precursors where introduction of GQD resulted in higher surface area and enhanced conductivity while the doping of Y enhanced the number of active sites in the final product. The GQDs/Y-doped MgO exhibited an average particle size of similar to 50 nm and a bandgap of 3.6 eV. Owing to these excellent characteristics, the GQDs/Y-doped MgO was utilized as a catalyst for treatment of the organic pollutants from water as well as antibacterial activity. The modified GQDs/Y-doped MgO nanostructure exhibited excellent activity of over 99.9 % for dye removal and versatility in a broad range of pH which clearly indicated the application in a range of different environments. Furthermore, the GQDs/Y-doped MgO exhibited excellent antibacterial activity against Escherichia Coli (E. Coli) bacteria. To gain further insights into the origins of this excellent activity response, the molecular docking simulations (MDS) is utilized against DNA gyrase and FabI (two enzymes critical to nucleic acid and fatty acid biosynthesis, respectively), to uncover the mechanism behind the observed antibacterial effects. In summary, the modified catalyst provides a pathway to design highly efficient catalysts for all pH range water treatment as well as good activity against microbes.

Àrees temàtiques: Renewable energy, sustainability and the environment Materials science, multidisciplinary Materials science (miscellaneous) Materials science (all) Green & sustainable science & technology General materials science General chemistry Chemistry (miscellaneous) Chemistry (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: 2024-08-03

Versió de l'article dipositat: info:eu-repo/semantics/publishedVersion

Enllaç font original: https://www.sciencedirect.com/science/article/pii/S2589234724000265

URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/

Referència a l'article segons font original: Materials Today Sustainability. 25 100690-

Referència de l'ítem segons les normes APA: Siddique, MA; Imran, M; Haider, A; Shahzadi, A; Ul-Hamid, A; Nabgan, W; Batool, M; Khan, K; Ikram, M; Somaily, HH; Mahmood, A (2024). Enhancing catalytic and antibacterial activity with size-controlled yttrium and graphene quantum dots doped MgO nanostructures: A molecular docking analysis. Materials Today Sustainability, 25(), 100690-. DOI: 10.1016/j.mtsust.2024.100690

DOI de l'article: 10.1016/j.mtsust.2024.100690

Entitat: Universitat Rovira i Virgili

Any de publicació de la revista: 2024

Tipus de publicació: Journal Publications