Linked Life Data

18321082

Source:http://linkedlifedata.com/resource/pubmed/id/18321082

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
15
pubmed:dateCreated
2008-4-10
pubmed:abstractText
The structure, relative energies, and binding energies of the complexes formed by the interaction of Cu+ (d10,1S) and Cu2+ (d9,2D) cations with the (glycyl)n glycine (n = 1-3) oligomers have been theoretically determined by means of density functional methods. The most stable structures of the Cu+ systems present linear dicoordination geometries, in agreement with a recent X-ray absorption spectroscopic study of Cu(I) interacting with model dipeptides. This is attributed to an efficient reduction of metal-ligand repulsion through sd sigma hybridization in dicoordinated linear structures. In contrast, for Cu2+ systems the lowest energy structures are tricoordinated (n = 1), tetracoordinated (n = 2), and pentacoordinated (n = 3). For both copper cations, binding energy values show that the interaction energies increase when the peptide chain is elongated. Differences on the coordination properties of the ligands are discussed according to their length as well as to the electronic configuration of the metal cations, which are compared to the Cu+/2+-glycine systems.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Apr
pubmed:issn
1520-5215
pubmed:author
pubmed:issnType
Electronic
pubmed:day
17
pubmed:volume
112
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
3444-53
pubmed:meshHeading
pubmed:year
2008
pubmed:articleTitle
Binding properties of Cu(+/2+)-(glycyl)n glycine complexes (n = 1-3).
pubmed:affiliation
Departament de Química, Universitat Autonoma de Barcelona, Bellaterra 08193, Spain.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't