Martina De Vetta
University of Vienna
|Photodynamic therapy is employed to treat certain type of cancer and precancerous conditions.
The main therapeutic effect is given by singlet oxygen, which is produced through an energy transfer process between a photosensitive drug in its triplet excited state and molecular oxygen.
In my PhD, I study the deactivation mechanism of possible new photosensitizers and their interaction with nano-carriers. I employ classical molecular dynamics, stationary calculations and surface-hopping molecular dynamics to discover reaction mechanisms and associated lifetimes.
The effect of different environments on the light-response of such compounds is also considered.
This project is conducted under the framework of the European Join Doctorate Innovative Training Networks in Theoretical Chemistry and Computational Modelling (EJD-ITN-TCCM).