Toward hydrogenase mimicry : subjecting the problem to three different approaches
Thèses de doctorat
Date
2006-11-14English Abstract
In this work, the challenging task of modelling Hydrogenase is subjected to three different approaches. The first strategy used here is bioorganometallic. A wide range of sulfur containing ferrocene-peptide derivatives ...Read more >
In this work, the challenging task of modelling Hydrogenase is subjected to three different approaches. The first strategy used here is bioorganometallic. A wide range of sulfur containing ferrocene-peptide derivatives were synthesized and fully characterized. A new class of structural mimic of Fe-only hydrogenase with ferrocene-peptide backbone was obtained. In the second approach, a theoretical computational study of the ferrocene peptide derivatives is led. In order to investigate a wider range of ferrocene-peptide as a molecular scaffold, a molecular force field was successfully implemented in CHARMM27. As a third approach, organic self-assembled oligoquinoline were studied as potential scaffold of hydrogenase mimics.Read less <
Keywords
Sciences chimiques
Hydrogenase
ferrocene peptide
CHARMM27
organic self-assembled oligoquinoline
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