Abstract
When ultraviolet (UV) radiation is absorbed by DNA, the electronic energy acquired by the molecule is efficiently converted into vibrational energy on an ultrafast timescale, preventing photochemical reactions which might induce mutations or strand breaks. In those ultrafast processes, conical intersections (CIs) play a crucial role [1]. Over the past years many studies have been performed to shed light in the fate of photoexcitations in DNA, although most of them with limited (>100 fs) temporal resolution. In this work we combine transient absorption (TA) spectroscopy using sub-20 fs UV pump pulses [2, 3] and broad UV spectral coverage with TA spectroscopy simulations from first principles based on mixed quantum mechanics /molecular mechanics (QM/MM) framework at the dynamically correlated multiconfiguration wavefunction level (CASPT2) [4, 5] to study the ultrafast relaxation dynamics of pyrimidine nucleosides uridine (Urd) and 5-methyluridine (MTU).
© 2019 IEEE
PDF ArticleMore Like This
R. Borrego-Varillas
SW2J.3 CLEO: Science and Innovations (CLEO:S&I) 2021
Piotr Kabacinski, Vishal K. Jaiswal, Rocio Borrego-Varillas, Barbara E. Nogueira de Faria, Marzio G. Gentile, Irene Conti, Sandro De Silvestri, Marco Garavelli, Ana M. De Paula, and Giulio Cerullo
cl_4_4 The European Conference on Lasers and Electro-Optics (CLEO/Europe) 2021
Piotr Kabacinski, Marco Romanelli, Eveliina Ponkkonen, Irene Conti, Thomas Carell, Marco Garavelli, and Giulio Cerullo
cl_4_3 The European Conference on Lasers and Electro-Optics (CLEO/Europe) 2021