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La-Doped CeO 2 Quantum Dots: Novel Dye Degrader, Antibacterial Activity, and In Silico Molecular Docking Analysis

Anum Shahzadi, Sawaira Moeen, Aryan Dilawar Khan, Ali Haider, Junaid Haider, Anwar Ul‐Hamid, Walid Nabgan, Iram Shahzadi et al.

ACS Omega, 2023

87 citations

Abstract

High Resolution Image Download MS PowerPoint Slide The current work demonstrates a novel synthesis of different concentrations of La-doped (2, 4, and 6 wt %) CeO 2 quantum dots (QDs) using a hydrothermal approach. This research aimed to examine the dye degradation efficiency, antibacterial activity, and in silico molecular docking analysis of La-doped CeO 2 QDs. The structure, elemental composition, optical properties, d -spacing, and morphological features of QDs were examined using various methods. XRD spectra exhibited the cubic structure of CeO 2, and the crystallinity was suppressed upon La doping. TEM revealed the formation of cubic-shaped QDs of CeO 2, and the incorporation of La decreased agglomeration. UV–vis absorption spectra showed a red shift upon La doping, assigned to a decrease in band gap energy. 6% La-doped CeO 2 showed significant antibacterial activity against Escherichia coli at higher concentrations in comparison to ciprofloxacin. La-CeO 2 was proposed as a putative inhibitor of β-lactamase E. coli and DNA gyrase E. coli relying on the outcomes of a molecular docking analysis that was in improved accord with in vitro bactericidal activity. Moreover, the prepared QDs exhibited a remarkable photocatalytic degradation of methylene blue in a basic medium.

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Evidence Hub reads this as a simulation / modelling, done in computer models (in silico), not in people. Its evidence level is 5 of 5 (Very low · case / narrative / animal / in vitro / in silico). Case reports, narrative reviews, and animal, cell or computer-model studies give the weakest evidence for human health.

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