Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study

In this article, we studied the antimicrobial activity of TiO2 sensitized by the Zn(II)-tetracarboxy-phthalocyanine (TcPcZn) complex using TiO2-Degussa P25 as a semiconductor source. The TiO2 thin films were deposited by the doctor blade method and were sensitized by the chemisorption process. The o...

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Autores:: Vallejo, William

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Fecha de publicación:: 2021

Institución:: Universidad del Atlántico

Repositorio:: Repositorio Uniatlantico

Idioma:: eng

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dc.title.spa.fl_str_mv	Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study
title	Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study
spellingShingle	Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study
title_short	Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study
title_full	Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study
title_fullStr	Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study
title_full_unstemmed	Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study
title_sort	Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study
dc.creator.fl_str_mv	Vallejo, William
dc.contributor.author.none.fl_str_mv	Vallejo, William
dc.contributor.other.none.fl_str_mv	Navarro, Karen Díaz-Uribe, Carlos Ximena Zarate, Eduardo Schott, Romero, Eduard
description	In this article, we studied the antimicrobial activity of TiO2 sensitized by the Zn(II)-tetracarboxy-phthalocyanine (TcPcZn) complex using TiO2-Degussa P25 as a semiconductor source. The TiO2 thin films were deposited by the doctor blade method and were sensitized by the chemisorption process. The obtained compounds were characterized using Fourier transform infrared spectroscopy, UV−vis spectrophotometry, Raman spectroscopy, diffuse reflectance spectroscopy, and scanning electron microscopy. Furthermore, we studied the stability of the adsorbed sensitizer on the semiconductor surface by using the density functional theory (DFT). Additionally, we determined the antimicrobial activity of TcPcZn−TiO2 against methicillin-resistant Staphylococcus aureus (MRSA). The Raman and optical results confirmed the sensitizing process. The TcPcZn−TiO2 thin films showed radiation absorption in the visible range of the electromagnetic spectrum (600−750 nm), and the dye anchored on the TiO2 surface had a band gap of 1.58 eV. The DFT study showed that TcPcZn supported on any phase of Degussa P25 is stable, making them suitable to act as catalysts in the proposed reactions. Finally, the TcPcZn−TiO2 thin films reached 76.5% of inhibition activity against MRSA.
publishDate	2021
dc.date.issued.none.fl_str_mv	2021-05-20
dc.date.submitted.none.fl_str_mv	2021-02-04
dc.date.accessioned.none.fl_str_mv	2022-12-20T00:09:24Z
dc.date.available.none.fl_str_mv	2022-12-20T00:09:24Z
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status_str	publishedVersion
dc.identifier.citation.spa.fl_str_mv	Vallejo, W., Navarro, K., Díaz-Uribe, C., Schott, E., Zarate, X., & Romero, E. (2021). Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study. ACS Omega, 6(21), 13637–13646. https://doi.org/10.1021/acsomega.1c00658
dc.identifier.uri.none.fl_str_mv	https://hdl.handle.net/20.500.12834/1157
dc.identifier.doi.none.fl_str_mv	10.1021/acsomega.1c00658
dc.identifier.instname.spa.fl_str_mv	Universidad del Atlántico
dc.identifier.reponame.spa.fl_str_mv	Repositorio Universidad del Atlántico
identifier_str_mv	Vallejo, W., Navarro, K., Díaz-Uribe, C., Schott, E., Zarate, X., & Romero, E. (2021). Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study. ACS Omega, 6(21), 13637–13646. https://doi.org/10.1021/acsomega.1c00658 10.1021/acsomega.1c00658 Universidad del Atlántico Repositorio Universidad del Atlántico
url	https://hdl.handle.net/20.500.12834/1157
dc.language.iso.spa.fl_str_mv	eng
language	eng
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dc.rights.cc.*.fl_str_mv	Attribution-NonCommercial 4.0 International
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dc.publisher.place.spa.fl_str_mv	Barranquilla
dc.publisher.discipline.spa.fl_str_mv	Química
dc.publisher.sede.spa.fl_str_mv	Sede Norte
dc.source.spa.fl_str_mv	ACS Omega
institution	Universidad del Atlántico
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spelling	Vallejo, William515f7221-38e6-4d06-8d1f-bf35a10ac2bbNavarro, KarenDíaz-Uribe, CarlosXimena Zarate, Eduardo Schott,Romero, Eduard2022-12-20T00:09:24Z2022-12-20T00:09:24Z2021-05-202021-02-04Vallejo, W., Navarro, K., Díaz-Uribe, C., Schott, E., Zarate, X., & Romero, E. (2021). Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study. ACS Omega, 6(21), 13637–13646. https://doi.org/10.1021/acsomega.1c00658https://hdl.handle.net/20.500.12834/115710.1021/acsomega.1c00658Universidad del AtlánticoRepositorio Universidad del AtlánticoIn this article, we studied the antimicrobial activity of TiO2 sensitized by the Zn(II)-tetracarboxy-phthalocyanine (TcPcZn) complex using TiO2-Degussa P25 as a semiconductor source. The TiO2 thin films were deposited by the doctor blade method and were sensitized by the chemisorption process. The obtained compounds were characterized using Fourier transform infrared spectroscopy, UV−vis spectrophotometry, Raman spectroscopy, diffuse reflectance spectroscopy, and scanning electron microscopy. Furthermore, we studied the stability of the adsorbed sensitizer on the semiconductor surface by using the density functional theory (DFT). Additionally, we determined the antimicrobial activity of TcPcZn−TiO2 against methicillin-resistant Staphylococcus aureus (MRSA). The Raman and optical results confirmed the sensitizing process. The TcPcZn−TiO2 thin films showed radiation absorption in the visible range of the electromagnetic spectrum (600−750 nm), and the dye anchored on the TiO2 surface had a band gap of 1.58 eV. The DFT study showed that TcPcZn supported on any phase of Degussa P25 is stable, making them suitable to act as catalysts in the proposed reactions. Finally, the TcPcZn−TiO2 thin films reached 76.5% of inhibition activity against MRSA.application/pdfenghttp://creativecommons.org/licenses/by-nc/4.0/Attribution-NonCommercial 4.0 Internationalinfo:eu-repo/semantics/openAccesshttp://purl.org/coar/access_right/c_abf2ACS OmegaZn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental StudyPúblico generalinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArtículohttp://purl.org/coar/version/c_970fb48d4fbd8a85http://purl.org/coar/resource_type/c_2df8fbb1BarranquillaQuímicaSede Norte(1) Dordel, J.; Kim, C.; Chung, M.; Pardos de la Gándara, M.; Holden, M. T. J.; Parkhill, J.; de Lencastre, H.; Bentley, S. D.; Tomasz, A. Novel Determinants of Antibiotic Resistance: Identification of Mutated Loci in Highly Methicillin-Resistant Subpopulations of Methicillin-Resistant Staphylococcus Aureus. MBio 2014, 5, No. e01000.(2) de Oliveira, S. C. P. 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Gaussian 09, Revision E.01; Gaussian, Inc.: Wallingford CT, 2009..http://purl.org/coar/resource_type/c_2df8fbb1ORIGINALacsomega.1c00658.pdfacsomega.1c00658.pdfapplication/pdf3131904https://repositorio.uniatlantico.edu.co/bitstream/20.500.12834/1157/1/acsomega.1c00658.pdf6698a5de6d3d3a85eed7598504047e22MD51CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8914https://repositorio.uniatlantico.edu.co/bitstream/20.500.12834/1157/2/license_rdf24013099e9e6abb1575dc6ce0855efd5MD52LICENSElicense.txtlicense.txttext/plain; charset=utf-81306https://repositorio.uniatlantico.edu.co/bitstream/20.500.12834/1157/3/license.txt67e239713705720ef0b79c50b2ececcaMD5320.500.12834/1157oai:repositorio.uniatlantico.edu.co:20.500.12834/11572022-12-19 19:09:25.17DSpace de la Universidad de Atlánticosysadmin@mail.uniatlantico.edu.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

Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study

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