Excited State Pathways Leading to Formation of Adenine Dimers

Akos Banyasz (1, 2) , Lara Martinez-Fernandez (3) , Tiia-Maaria Ketola (1, 2) , A. Munoz-Losa (2, 1) , Luciana Esposito (3) , Dimitra Markovitsi (1, 2) , Roberto Improta (3)

1 LIDYL - Laboratoire Interactions, Dynamiques et Lasers (ex SPAM)
2 DICO - Dynamique et Interactions en phase Condensée
3 CNR – Istituto di Biostrutture e Bioimmagini

The reaction intermediate in the path leading to UV-induced formation of adenine dimers A=A and AA* is identified for the first time quantum mechanically, using PCM/TD-DFT calculations on (dA)2 (dA: 2′deoxyadenosine). In parallel, its fingerprint is detected in the absorption spectra recorded on the millisecond time-scale for the single strand (dA)20 (dA: 2′deoxyadenosine).

Domaines: Chimie théorique et/ou physique

Akos Banyasz, Lara Martinez-Fernandez, Tiia-Maaria Ketola, A. Munoz-Losa, Luciana Esposito, et al.. Excited State Pathways Leading to Formation of Adenine Dimers. Journal of Physical Chemistry Letters, 2016, 7, pp.2020−2023. ⟨10.1021/acs.jpclett.6b00660⟩. ⟨cea-01360050⟩