• RESEARCH INTERESTS:
Theoretical and Computational Chemistry, giving particular attention to simulating the photochemical reactivity of large molecules within realistic conditions, accounting for the reaction environment (QM methods within hybrid QM/MM schemes). The ability to reproduce/interpret non-linear time resolved experimental spectra allows, beside disentangling unpredicted photoprocesses, to provide models for the rational design of novel photoactive molecular materials.
Examples:
- Photophysics and photochemistry of DNA and RNA nucleobases, with particular interest into DNA photo-damages leading to important pathogenic processes.
- Thiobases, DNA/RNA analogues where an exocyclic carbonyl oxygen is replaced by a sulfur atom, important for phototherapeutic applications.
- Azobenzene-based photoswitches, good candidates for technological and biological applications.
- Photoinduced processes in biological photoreceptors and photoactive biomolecules, as retinal proteins.
- Molecular switches triggered by light for the development of photoactive functional materials: rotaxane activity controlled by photochemical inputs.
