DC pole | Wartość | Język |
dc.contributor.author | Jaworska, Maria | - |
dc.contributor.author | Lodowski, Piotr | - |
dc.date.accessioned | 2022-03-03T08:37:54Z | - |
dc.date.available | 2022-03-03T08:37:54Z | - |
dc.date.issued | 2022 | - |
dc.identifier.citation | "Catalysts", Vol. 12, iss. 2, 2022, art. no 195, s. 1-21 | pl_PL |
dc.identifier.issn | 2073-4344 | - |
dc.identifier.uri | http://hdl.handle.net/20.500.12128/22775 | - |
dc.description.abstract | DFT calculations were performed for the A-cluster from the enzyme Acetyl-CoA synthase (ACS). The acid constants (pKa), reduction potentials, and pH-dependent reduction potential for the A-cluster with different oxidation states and ligands were calculated. Good agreement of the reduction potentials, dependent on pH in the experiment, was obtained. On the basis of the calculations, a mechanism for the methylation reaction involving two–electron reduction and protonation on the proximal nickel atom of the reduced A-cluster is proposed. | pl_PL |
dc.language.iso | en | pl_PL |
dc.rights | Uznanie autorstwa 3.0 Polska | * |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/pl/ | * |
dc.subject | acetyl coenzyme A synthase | pl_PL |
dc.subject | ACS | pl_PL |
dc.subject | nickel | pl_PL |
dc.subject | protonation | pl_PL |
dc.subject | methylation | pl_PL |
dc.subject | pKa | pl_PL |
dc.subject | reduction potential | pl_PL |
dc.subject | DFT | pl_PL |
dc.title | Theoretical Studies of Acetyl-CoA Synthase Catalytic Mechanism | pl_PL |
dc.type | info:eu-repo/semantics/article | pl_PL |
dc.identifier.doi | 10.3390/catal12020195 | - |
Pojawia się w kolekcji: | Artykuły (WNŚiT)
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