Repozytorium Uniwersytetu Jagiellońskiego

Ligand binding properties of cobalamins

Ligand binding properties of cobalamins

Metadane (Dublin Core)

dc.contributor.author Rutkowska-Żbik, Dorota pl
dc.contributor.author Witko, Małgorzata pl
dc.contributor.author Stochel, Grażyna [SAP11011061] pl
dc.date.accessioned 2014-12-23T16:26:38Z
dc.date.available 2014-12-23T16:26:38Z
dc.date.issued 2008 pl
dc.identifier.issn 1432-881X pl
dc.identifier.uri http://ruj.uj.edu.pl/xmlui/handle/item/2405
dc.language eng pl
dc.title Ligand binding properties of cobalamins pl
dc.type JournalArticle pl
dc.description.physical 411-419 pl
dc.abstract.en The main goal of the present density functional theory calculations is a comparative study of NO, O2, NO−2, and H2O binding to different forms of cob(II)alamins and cob(III)alamins.The comparison of binding energies of small ligands enables one to draw conclusions regarding the stability of the studied derivatives of cobalamins as well as to define the preferred form of cobalamin for each ligand. Ligands such as NO and O2 favor cob(II)alamins, while H2O and NO−2 cob(III)alamins. The obtained results are confronted with available experimental data. Finally, our findings allow one to divide the studied small ligands into two groups: NO and O2 for which the coordination to cobalamins significantly weakens their internal bonds, and NO−2 and H2O for which the effect is not observed. pl
dc.description.volume 120 pl
dc.description.number 4-6 pl
dc.identifier.doi 10.1007/s00214-008-0429-4 pl
dc.identifier.eissn 1432-2234 pl
dc.title.journal Theoretical Chemistry Accounts pl
dc.language.container eng pl
dc.affiliation Wydział Chemii : Zakład Chemii Nieorganicznej pl
dc.subtype Article pl
dc.rights.original bez licencji pl


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