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The influence of th...
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Durigon, Daniele C.Federal University of Santa Catarina
(author)
The influence of thioether-substituted ligands in dicopper(II) complexes : Enhancing oxidation and biological activities
- Article/chapterEnglish2024
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LIBRIS-ID:oai:lup.lub.lu.se:cfc4d048-2b7a-4de1-afa0-5e47845469f9
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https://lup.lub.lu.se/record/cfc4d048-2b7a-4de1-afa0-5e47845469f9URI
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https://doi.org/10.1016/j.jinorgbio.2024.112573DOI
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Language:English
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Summary in:English
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This paper describes the synthesis, structural analysis, as well as the magnetic and spectroscopic characterizations of three new dicopper(II) complexes with dinucleating phenol-based ligands containing different thioether donor substituents: aromatic (1), aliphatic (2) or thiophene (3). Temperature-dependent magnetometry reveals the presence of antiferromagnetic coupling for 1 and 3 (J = −2.27 cm−1 and -5.01 cm−1, respectively, H = -2JS1S2) and ferromagnetic coupling for 2 (J = 5.72 cm−1). Broken symmetry DFT calculations attribute this behavior to a major contribution from the dz2 orbitals for 1 and 3, and from the dx2-y2 orbitals for 2, along with the p orbitals of the oxygens. The bioinspired catalytic activities of these complexes related to catechol oxidase were studied using 3,5-di-tert-butylcatechol as substrate. The order of catalytic rates for the substrate oxidation follows the trend 1 > 2 > 3 with kcat of (90.79 ± 2.90) × 10−3 for 1, (64.21 ± 0.99) × 10−3 for 2 and (14.20 ± 0.32) × 10−3 s−1 for 3. The complexes also cleave DNA through an oxidative mechanism with minor-groove preference, as indicated by experimental and molecular docking assays. Antimicrobial potential of these highly active complexes has shown that 3 inhibits both Staphylococcus aureus bacterium and Epidermophyton floccosum fungus. Notably, the complexes were found to be nontoxic to normal cells but exhibited cytotoxicity against epidermoid carcinoma cells, surpassing the activity of the metallodrug cisplatin. This research shows the multifaceted properties of these complexes, making them promising candidates for various applications in catalysis, nucleic acids research, and antimicrobial activities.
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Glitz, Vinícius A.Federal University of Santa Catarina
(author)
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Pimenta, Beatriz F.Federal University of Santa Catarina
(author)
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Guedes, Anderson M.V.Federal University of Rio de Janeiro
(author)
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Silva, João V.O.State University of Maringá
(author)
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Bella Cruz, Catarina C.
(author)
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Andrade, Lídia M.Federal University of Minas Gerais
(author)
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Pereira-Maia, Elene C.Federal University of Minas Gerais
(author)
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Mikcha, Jane M.G.State University of Maringá
(author)
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Bella Cruz, Alexandre
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Xavier, Fernando R.State University Of Santa Catarina
(author)
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Terenzi, Hernán F.Federal University of Santa Catarina
(author)
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Poneti, GiordanoUniversity of Tuscia,Federal University of Rio de Janeiro
(author)
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Ribeiro, Ronny R.Federal University of Paraná
(author)
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Nordlander, EbbeLund University,Lunds universitet,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,LU profilområde: Ljus och material,Lunds universitets profilområden,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH,LU Profile Area: Light and Materials,Lund University Profile areas(Swepub:lu)ook1-eno
(author)
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Caramori, Giovanni F.Federal University of Santa Catarina
(author)
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Bortoluzzi, Adailton J.Federal University of Santa Catarina
(author)
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Peralta, Rosely A.Federal University of Santa Catarina
(author)
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Federal University of Santa CatarinaFederal University of Rio de Janeiro
(creator_code:org_t)
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In:Journal of Inorganic Biochemistry2560162-0134
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Andrade, Lídia M ...
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