Excited State Pathways Leading to Formation of Adenine Dimers

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• 作者：Akos Banyasz ; Lara Martinez-Fernandez ; Tiia-Maaria Ketola ; Aurora Muñoz-Losa ; Luciana Esposito ; Dimitra Markovitsi ; Roberto Improta
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2016
• 出版时间：June 2, 2016
• 年：2016
• 卷：7
• 期：11
• 页码：2020-2023
• 全文大小：330K
• 年卷期：0
• ISSN：1948-7185

文摘

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).