dc.contributor.author |
Ortega-Castro, Joaquín
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dc.contributor.author |
Adrover Estelrich, Miguel
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dc.contributor.author |
Frau Munar, Juan
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dc.contributor.author |
Donoso Pardo, Josefa Laurentina
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dc.contributor.author |
Muñoz Izquierdo, Francisco
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dc.date.accessioned |
2018-10-23T09:13:02Z |
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dc.identifier.uri |
http://hdl.handle.net/11201/148207 |
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dc.description.abstract |
[eng] Theoretical calculations based on pseudo-potentials were used to determine the structures of the complexes formed between Cu2+ ion and 2-(8-quinolinoxy)propionic acid (LR-74), which is a potent inhibitor of non-enzymatic glycation reactions. The most stable among such complexes consist of one atom of copper and two molecules of inhibitor, [Cu(LR-74)2], and possess a distorted octahedral geometry. In the complex containing a single molecule of inhibitor, the square planar form, [Cu(LR-74)(H2O)]+, is slightly more stable than the octahedral form, [Cu(LR-74)(H2O)3]+, in solution. All octahedral complexes exhibit strong Jahn<br>Teller distortion that results in substantially increased axial distances. |
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dc.format |
application/pdf |
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dc.relation.isformatof |
Versió postprint del document publicat a: http://www.sciencedirect.com/science/article/pii/S0009261408012797 |
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dc.relation.ispartof |
Chemical Physics Letters, 2008, vol. 465, p. 120-125 |
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dc.subject.classification |
54 - Química |
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dc.subject.other |
54 - Chemistry. Crystallography. Mineralogy |
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dc.title |
Chelating power of LR-74, a new AGE-inhibitor |
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dc.type |
info:eu-repo/semantics/article |
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dc.type |
info:eu-repo/semantics/acceptedVersion |
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dc.date.updated |
2018-10-23T09:13:02Z |
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dc.date.embargoEndDate |
info:eu-repo/date/embargoEnd/2075-01-01 |
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dc.embargo |
2075-01-01 |
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dc.subject.keywords |
DFT |
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dc.subject.keywords |
Pyridoxamine (PM) |
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dc.subject.keywords |
Chemical Kinetics |
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dc.subject.keywords |
AGE |
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dc.subject.keywords |
Cu (II) complexes |
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dc.rights.accessRights |
info:eu-repo/semantics/embargoedAccess |
|