Toward hydrogenase mimicry : subjecting the problem to three different approaches

DE HATTEN, Xavier

Thèses de doctorat

Date de soutenance

2006-11-14

Résumé en anglais

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.< Réduire

Mots clés

Sciences chimiques

Hydrogenase

ferrocene peptide

CHARMM27

organic self-assembled oligoquinoline

URI

https://oskar-bordeaux.fr/handle/20.500.12278/25396

Unités de recherche

Thèses de l'Université de Bordeaux avant 2014

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