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Bactericidal Action and Industrial Dye Degradation of Graphene Oxide and Polyacrylic Acid-Doped SnO(2) Quantum Dots: In Silico Molecular Docking Study

[Image: see text] The present work demonstrates the systematic incorporation of different concentrations of graphene oxide (GO) into a fixed amount of polyacrylic acid (PAA)-doped SnO(2) quantum dots (QDs) through a co-precipitation approach. The research aimed to evaluate the catalytic and antibact...

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Autores principales: Riaz, Saira, Ikram, Muhammad, Naz, Sadia, Shahzadi, Anum, Nabgan, Walid, Ul-Hamid, Anwar, Haider, Ali, Haider, Junaid, Al-Shanini, Ali
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9933192/
https://www.ncbi.nlm.nih.gov/pubmed/36816704
http://dx.doi.org/10.1021/acsomega.2c07460
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author Riaz, Saira
Ikram, Muhammad
Naz, Sadia
Shahzadi, Anum
Nabgan, Walid
Ul-Hamid, Anwar
Haider, Ali
Haider, Junaid
Al-Shanini, Ali
author_facet Riaz, Saira
Ikram, Muhammad
Naz, Sadia
Shahzadi, Anum
Nabgan, Walid
Ul-Hamid, Anwar
Haider, Ali
Haider, Junaid
Al-Shanini, Ali
author_sort Riaz, Saira
collection PubMed
description [Image: see text] The present work demonstrates the systematic incorporation of different concentrations of graphene oxide (GO) into a fixed amount of polyacrylic acid (PAA)-doped SnO(2) quantum dots (QDs) through a co-precipitation approach. The research aimed to evaluate the catalytic and antibacterial actions of GO/PAA-SnO(2) QDs. Moreover, optical properties, surface morphologies, crystal structures, elemental compositions, and d-spacings of prepared QDs were examined. X-ray diffraction patterns revealed the tetragonal configuration of SnO(2), and the crystallinity of QDs was suppressed upon dopants verified by the SAED patterns. Electronic spectra identified the blue shift by incorporating GO and PAA led to a reduction in band gap energy. Fourier transform infrared spectra showed the existence of rotational and vibrational modes associated with the functional groups during the synthesis process. A drastic increase in the catalytic efficacy of QDs was observed in the neutral medium by including dopants, indicating that GO/PAA-SnO(2) is a promising catalyst. GO/PAA-SnO(2) showed strong bactericidal efficacy against Escherichia coli (E. coli) at higher GO concentrations. Molecular docking studies predicted the given nanocomposites, i.e., SnO(2), PAA-SnO(2), and GO/PAA-SnO(2), as potential inhibitors of beta-lactamase(E. coli) and DNA gyrase(E. coli).
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spelling pubmed-99331922023-02-17 Bactericidal Action and Industrial Dye Degradation of Graphene Oxide and Polyacrylic Acid-Doped SnO(2) Quantum Dots: In Silico Molecular Docking Study Riaz, Saira Ikram, Muhammad Naz, Sadia Shahzadi, Anum Nabgan, Walid Ul-Hamid, Anwar Haider, Ali Haider, Junaid Al-Shanini, Ali ACS Omega [Image: see text] The present work demonstrates the systematic incorporation of different concentrations of graphene oxide (GO) into a fixed amount of polyacrylic acid (PAA)-doped SnO(2) quantum dots (QDs) through a co-precipitation approach. The research aimed to evaluate the catalytic and antibacterial actions of GO/PAA-SnO(2) QDs. Moreover, optical properties, surface morphologies, crystal structures, elemental compositions, and d-spacings of prepared QDs were examined. X-ray diffraction patterns revealed the tetragonal configuration of SnO(2), and the crystallinity of QDs was suppressed upon dopants verified by the SAED patterns. Electronic spectra identified the blue shift by incorporating GO and PAA led to a reduction in band gap energy. Fourier transform infrared spectra showed the existence of rotational and vibrational modes associated with the functional groups during the synthesis process. A drastic increase in the catalytic efficacy of QDs was observed in the neutral medium by including dopants, indicating that GO/PAA-SnO(2) is a promising catalyst. GO/PAA-SnO(2) showed strong bactericidal efficacy against Escherichia coli (E. coli) at higher GO concentrations. Molecular docking studies predicted the given nanocomposites, i.e., SnO(2), PAA-SnO(2), and GO/PAA-SnO(2), as potential inhibitors of beta-lactamase(E. coli) and DNA gyrase(E. coli). American Chemical Society 2023-02-06 /pmc/articles/PMC9933192/ /pubmed/36816704 http://dx.doi.org/10.1021/acsomega.2c07460 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Riaz, Saira
Ikram, Muhammad
Naz, Sadia
Shahzadi, Anum
Nabgan, Walid
Ul-Hamid, Anwar
Haider, Ali
Haider, Junaid
Al-Shanini, Ali
Bactericidal Action and Industrial Dye Degradation of Graphene Oxide and Polyacrylic Acid-Doped SnO(2) Quantum Dots: In Silico Molecular Docking Study
title Bactericidal Action and Industrial Dye Degradation of Graphene Oxide and Polyacrylic Acid-Doped SnO(2) Quantum Dots: In Silico Molecular Docking Study
title_full Bactericidal Action and Industrial Dye Degradation of Graphene Oxide and Polyacrylic Acid-Doped SnO(2) Quantum Dots: In Silico Molecular Docking Study
title_fullStr Bactericidal Action and Industrial Dye Degradation of Graphene Oxide and Polyacrylic Acid-Doped SnO(2) Quantum Dots: In Silico Molecular Docking Study
title_full_unstemmed Bactericidal Action and Industrial Dye Degradation of Graphene Oxide and Polyacrylic Acid-Doped SnO(2) Quantum Dots: In Silico Molecular Docking Study
title_short Bactericidal Action and Industrial Dye Degradation of Graphene Oxide and Polyacrylic Acid-Doped SnO(2) Quantum Dots: In Silico Molecular Docking Study
title_sort bactericidal action and industrial dye degradation of graphene oxide and polyacrylic acid-doped sno(2) quantum dots: in silico molecular docking study
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9933192/
https://www.ncbi.nlm.nih.gov/pubmed/36816704
http://dx.doi.org/10.1021/acsomega.2c07460
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