Understanding charge dynamics in dense electronic manifolds in complex environments

F Perrella, A Petrone, N Rega - Journal of Chemical Theory and …, 2023 - ACS Publications
Photoinduced charge transfer (CT) excited states and their relaxation mechanisms can be
highly interdependent on the environment effects and the consequent changes in the …

Photophysics of a nucleic acid–protein crosslinking model strongly depends on solvation dynamics: an experimental and theoretical study

G Iuzzolino, F Perrella, M Valadan, A Petrone… - Physical Chemistry …, 2024 - pubs.rsc.org
We present a combined experimental and theoretical study of the photophysics of 5-
benzyluracil (5BU) in methanol, which is a model system for interactions between nucleic …

Ultrafast hydrogen migration in photoionized glycine

MC Castrovilli, A Trabattoni, P Bolognesi… - The journal of …, 2018 - ACS Publications
Hydrogen migration in the glycine cation has been investigated using a combination of a
short train of attosecond extreme ultraviolet pulses with few-optical-cycle near-infrared …

Exploring the photodynamic properties of two antiproliferative benzodiazopyrrole derivatives

C Imperatore, M Valadan, L Tartaglione… - International Journal of …, 2020 - mdpi.com
The identification of molecules whose biological activity can be properly modulated by light
is a promising therapeutic approach aimed to improve drug selectivity and efficacy on the …

On the charge-transfer excitations in Azobenzene Maleimide compounds: a theoretical study

DL Isac, A Airinei, D Maftei, I Humelnicu… - The Journal of …, 2019 - ACS Publications
Photoswitchable systems with charge-transfer (CT) transitions have gained much attention
during the recent years because of their many emerging applications. CT transitions …

A multi-scale time-resolved study of photoactivated dynamics in 5-benzyl uracil, a model for DNA/protein interactions

M Valadan, E Pomarico, B Della Ventura… - Physical Chemistry …, 2019 - pubs.rsc.org
We combine fluorescence up-conversion and time correlated single photon counting
experiments to investigate the 5-benzyl uracil excited state dynamics in methanol from 100 …

Photophysics and photochemistry of a DNA–protein cross-linking model: A synergistic approach combining experiments and theory

M Micciarelli, M Valadan, B Della Ventura… - The Journal of …, 2014 - ACS Publications
The photophysical and photochemical properties of 5-benzyluracil and 5, 6-benzyluracil, the
latter produced by photocyclization of the former through irradiation with femtosecond UV …

Characterization of the photochemical properties of 5-benzyluracil via time-dependent density functional theory

M Micciarelli, BFE Curchod, S Bonella… - The Journal of …, 2017 - ACS Publications
We present a detailed study of the excited state properties of 5-benzyluracil (5BU) in the gas
phase and in implicit solvent using different electronic structure approaches ranging from …

Temporal and spectral characterization of femtosecond deep-UV chirped pulses

M Valadan, D D'Ambrosio, F Gesuele… - Laser Physics …, 2014 - iopscience.iop.org
In contrast to the case of pulses in the infrared (IR) and visible range, the temporal
characterization of deep-UV femtosecond pulses in combination with their spectral features …

Position of the Benzene Ring Substituent Regulates the Excited-State Deactivation Process of the Benzyluracil Systems

L Zhao, H Zheng, K Zhan, Y Guo, B Liu… - The Journal of Physical …, 2020 - ACS Publications
A systematic theoretical study of the regulating effect of the substituent position on the
photoinduced deactivation process of the benzyluracil systems has been performed based …