Excited State Pathways Leading to Formation of Adenine Dimers

Excited State Pathways Leading to Formation of Adenine Dimers

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...

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Veröffentlicht in:The journal of physical chemistry letters 2016-06, Vol.7 (11), p.2020-2023
Hauptverfasser: Banyasz, Akos, Martinez-Fernandez, Lara, Ketola, Tiia-Maaria, Muñoz-Losa, Aurora, Esposito, Luciana, Markovitsi, Dimitra, Improta, Roberto
Format: Artikel
Sprache:eng
Schlagworte:
Adenine - chemistry
Chemical Sciences
Dimerization
or physical chemistry
Quantum Theory
Theoretical and
Ultraviolet Rays
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Zusammenfassung: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).
ISSN:1948-7185
1948-7185
DOI:10.1021/acs.jpclett.6b00660