In this Project, detoxifying and antiviral mechanisms involving the reactivity of group 12 metal - chalcogen bonds are investigated in silico. In particular, two cases are considered, i.e., demethylation of methylmercury promoted by thiolates/selenolates and the reduction of the GPx mimetic Zn-Se catalyst (known as Santi’s reagent) by thiolates. The results are rationalized in the framework of the activation strain model.
In this Project, detoxifying and antiviral mechanisms involving the reactivity of group 12 metal - chalcogen bonds are investigated in silico. In particular, two cases are considered, i.e., demethylation of methylmercury promoted by thiolates/selenolates and the reduction of the GPx mimetic Zn-Se catalyst (known as Santi’s reagent) by thiolates. The results are rationalized in the framework of the activation strain model.
Group 12 metal - chalcogen bonding: in silico molecular mechanisms of detoxification and bioinspired catalytic action
POMPERMAIER, NICOLA
2023/2024
Abstract
In this Project, detoxifying and antiviral mechanisms involving the reactivity of group 12 metal - chalcogen bonds are investigated in silico. In particular, two cases are considered, i.e., demethylation of methylmercury promoted by thiolates/selenolates and the reduction of the GPx mimetic Zn-Se catalyst (known as Santi’s reagent) by thiolates. The results are rationalized in the framework of the activation strain model.| File | Dimensione | Formato | |
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Pompermaier_Nicola.pdf
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https://hdl.handle.net/20.500.12608/80305