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. 2023 Feb 20;8(9):8605-8616.
doi: 10.1021/acsomega.2c07753. eCollection 2023 Mar 7.

La-Doped CeO2 Quantum Dots: Novel Dye Degrader, Antibacterial Activity, and In Silico Molecular Docking Analysis

Anum Shahzadi  1 , Sawaira Moeen  2 , Aryan Dilawar Khan  2 , Ali Haider  3 , Junaid Haider  4 , Anwar Ul-Hamid  5 , Walid Nabgan  6 , Iram Shahzadi  7 , Muhammad Ikram  2 , Ali Al-Shanini  8
Affiliations

La-Doped CeO2 Quantum Dots: Novel Dye Degrader, Antibacterial Activity, and In Silico Molecular Docking Analysis

Anum Shahzadi et al. ACS Omega. .

Abstract

The current work demonstrates a novel synthesis of different concentrations of La-doped (2, 4, and 6 wt %) CeO2 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 CeO2 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 CeO2, and the crystallinity was suppressed upon La doping. TEM revealed the formation of cubic-shaped QDs of CeO2, 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 CeO2 showed significant antibacterial activity against Escherichia coli at higher concentrations in comparison to ciprofloxacin. La-CeO2 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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Conflict of interest statement

The authors declare no competing financial interest.

Figures

Figure 1
Figure 1
Synthesis of La-doped CeO2 QDs.
Figure 2
Figure 2
Photocatalytic mechanism of La-doped CeO2.
Figure 3
Figure 3
Catalytic mechanism of La-doped CeO2.
Figure 4
Figure 4
(a) XRD pattern, (b) FTIR spectra, and (c–f) SAED pattern of La-doped CeO2.
Figure 5
Figure 5
(a) Electronic spectra and (b) PL spectra of CeO2 and (2, 4, and 6%) La-doped CeO2.
Figure 6
Figure 6
(a–d) EDS spectra of CeO2 and (2, 4, and 6%) La-doped CeO2, respectively.
Figure 7
Figure 7
(a–d) TEM micrographs of CeO2 and (2, 4, and 6%) La-doped CeO2, respectively.
Figure 8
Figure 8
(a–d) d-spacing of CeO2 and (2, 4, and 6%) La-doped CeO2, respectively.
Figure 9
Figure 9
(a) Photocatalytic activity and (b) catalytic activity of CeO2 and (2, 4, and 6%) La-doped CeO2.
Figure 10
Figure 10
Antimicrobial activity of La-doped CeO2.
Figure 11
Figure 11
3D graphical representation of binding interactions of La-CeO2 inside active pockets of DNA gyrase (a and b) and β-lactamase (c and d) from E. coli..
See this image and copyright information in PMC

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