Modeling and experimental work in bioinorganic chemistry
Our research interests are centered around small molecule activation at biological metal centers. We typically employ methods such as UV-vis, EPR, stopped-flow, freeze-quench, molecular biology, protein overexpression and purification, as well as molecular modelling (DFT, semiempirical, molecular dynamics,and others).
Some of our research projects are listed below:
Nitric oxide reduction by cytochrome P450 nitric oxide reductase (P450NOR), by non-heme iron systems, by nitrite reductases and related model systems, and the role of linkage isomerism therein.
Nitrite linkage isomerism in hemoproteins and model complexes.
Peroxynitrite and its adducts with hemoproteins and related systems.
Activation of molecular oxygen and of peroxides by hemoproteins and by non-heme iron systems (e.g., peroxidases, heme oxygenase, cytochrome P450, bleomycin, Rieske dioxygenases); superoxide detoxification by superoxide reductases and superoxide dismutases. The nature of transient complexes involved in oxygen-oxygen bond activation in hemoproteins (ferrous-dioxygen, ferric-(hydroperoxo), ferryl).
Applications of oxidative and nitrosative stress in developing blood substitutes, in studying medically-relevant compounds (anticancer as well as others; pure compounds as well as natural extracts)
The nature and reactivity of less common iron oxidation states in proteins and model compounds e.g., super-reduced Fe(I), Fe(0), or highly-oxidized Fe(IV), Fe(V) Electromerism in adducts of transition metals with diatomic ligands (e.g., nitric oxide, dioxygen, superoxide, peroxide) Excited-state properties from ground-state computations.
Nitrile hydration by nitrile hydratases.
Halogen activation by metalloproteins.
Carbon dioxide reactivity.Predictions on secondary and tertiary structure elements in proteins and in other biopolymers.
Sulfite reductase and related systems involving sulphur oxides and oxyanions.
Natural extracts (plant extracts, fungi, food- or drug-related components): antioxidant activity, biological activity (anticancer, etc.).
Copper enzymes e.g., laccases and related enzymes from fungi.
Free-radical processes with applications in dental materials.
Redox processes in polyoxometalates.
Address: Str. Arany Janos, Nr. 11, Cluj-Napoca, Romania.
Tel.: +40 264 590818
FAX: +40 264 593833 ext. 5675