Dr Arlette Richaud-Torres
LE STUDIUM / Marie Skłodowska-Curie Research Fellow
Établissement d'origine
Laboratoire d'accueil
Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI) / CNRS - FR
Hôte scientifique
Dr Pierre Florian
PROJET
Composés de coordination comme antioxydants: conception des médicaments en combinant les calculs du premier principe et RMN à l'état solide
Nous nous proposons de développer une approche combinant spectroscopie de Résonance Magnétique Nucléaire à l’Etat Solide et calculs premiers principes afin de déterminer les indices de réactivité d’imidazolates de métaux de transition conçus pour leur activité antioxydante.
Events organised by this fellow
Publications
The chemical synthesis of C 60 fullerene in the laboratory is still a challenge. In order to achieve this goal, we propose a synthetic route based on the dimerization between two pentacyclopentacorannulene (C 30 H 10) fragments employing the Diels-Alder cycloaddition reaction. Density functional calculations indicate that a step wise non-concerted dimerization mechanism of C 30 H 10 is favored over a one stage dimerization.
Final reports
Inspired by the active site of the copper-zinc superoxide dismutase enzyme, we studied the reactivity of imidazolic ligands to improve the design and synthesis of coordination compounds, active against the superoxide radical (responsible of DNA, cellular and tissues damage, leading to illness like cancer, atherosclerosis, heart failures, etc.). By the joint use of first-principle calculations and solid state NMR spectroscopy, we identified the relationship between the structural characteristics and the reactivity of the synthesized compounds, that lead and modulates their antioxidant activity.