Structural characterization of a highly active superoxide-dismutase mimic
| Autor: | Carol Cristescu, Vimalkumar Balasubramanian, Maria Ezhevskaya, Hans Moons, Cornelia G. Palivan, Markus Neuburger, Sabine Van Doorslaer |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2009 |
| Předmět: |
Spectrophotometry
Infrared Stereochemistry Molecular Conformation General Physics and Astronomy chemistry.chemical_element Electronic structure 010402 general chemistry Crystallography X-Ray 01 natural sciences law.invention Metal Structure-Activity Relationship Transition metal law Organometallic Compounds Physical and Theoretical Chemistry Electron paramagnetic resonance 010405 organic chemistry Chemistry Pulsed EPR Superoxide Dismutase Triazines Physics Molecular Mimicry Electron Spin Resonance Spectroscopy Copper 0104 chemical sciences Crystallography visual_art X-ray crystallography visual_art.visual_art_medium Solvents Density functional theory Spectrophotometry Ultraviolet |
| Zdroj: | Physical chemistry, chemical physics Phys. Chem. Chem. Phys |
| ISSN: | 1463-9076 |
| Popis: | A lot of effort has been put into the synthesis of copper complexes with superoxide-dismutase (SOD) activity because of their potential pharmaceutical applications. In this work, we study a model for these so-called SOD mimics (SODm), namely a copper complex of 6-(2-hydroxy-benzaldehyde) hydrazono-as-triazine-3,5-dione, which shows an extremely high SOD-like activity in solution. X-Ray diffraction reveals that the complex adopts a di-copper structure in the solid state. However, in solution, the chloride bridges are broken, forming a mono-copper center as follows from UV/Vis absorption and electron paramagnetic resonance (EPR) experiments. Using pulsed EPR techniques in combination with DFT (density functional theory) computations, the electronic structure of the complex in solution is analyzed in detail and related to its high SOD activity. The structureactivity analysis serves to orient further synthetic efforts to obtain the optimum geometry around the metal essential for SOD-like activity. |
| Databáze: | OpenAIRE |
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