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Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (55 views)

Improta R, Santoro F, Blancafort L

Chemical Reviews (ISSN: 0009-2665), 2016; 116(6): 3540-3593.

The photophysics and photochemistry of DNA is of great importance due to the potential damage of the genetic code by UV light. Quantum mechanical studies have played a key role in interpretating the results of modern time-resolved pump-probe spectroscopy, and in elucidating the main photoactivated reactive paths. This review provides a concise, complete picture of the computational studies carried out, approximately, in the past decade. We start with an overview of the photophysics of the nucleobases in the gas phase and in solution. We discuss the proposed mechanisms for ultrafast decay to the ground state, that involve conical intersections, consider the role of triplet states, and analyze how the solvent modulates the photophysics. Then we move to larger systems, from dinucleotides to single- and double-stranded oligonucleotides. We focus on the possible role of charge transfer and delocalized or excitonic states in the photophysics of these systems and discuss the main photochemical paths. We finish with an outlook on the current challenges in the field and future directions of research. © 2016 American Chemical Society.

Affiliations ▼
*** IBB - CNR Affiliation

Istituto di Biostrutture Biommagini (IBB-CNR), CNR - Consiglio Nazionale Delle Ricerche, Via Mezzocannone 16, Napoli, Italy

Area della Ricerca di Pisa, Istituto di Chimica Dei Composti Organo Metallici (ICCOM-CNR), CNR - Consiglio Nazionale Delle Ricerche, Via G. Moruzzi 1, Pisa, Italy

Institut de Química Computacional i Catàlisi, Departament de Química, Universitat de Girona, Campus de Montilivi, Girona, Spain

Details ▼
Impact factor: 46.568, 5-year impact factor: 48.832

Paper type: Journal Article,

Keywords: Charge Transfer, Chemical Reactions, Gene Encoding, Ground State, Nucleic Acids, Oligonucleotides, Computational Studies, Conical Intersection, Excitonic State, Photo-Activated, Quantum-Mechanical Study, Time Resolved Pump-Probe Spectroscopies, Triplet State, Ultrafast Decay, Quantum Theory,

Url: https://www2.scopus.com/inward/record.uri?eid=2-s2.0-84962408758&partnerID=40&md5=fd1f5ed57dceb19ff48c63506cb60bc4

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* Photoinduced Electron Transfer in DNA: Charge Shift Dynamics between 8-Oxo-Guanine Anion and Adenine (73 views)
Zhang Y, Dood J, Beckstead AA, Li X-B, Nguyen KV, Burrows CJ, Improta R, Kohler B
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2015; 119(24): 7491-7502.

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1 Records (1 excluding Abstracts and Conferences).
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Total 5-year impact factor: 3.528 (3.528 excluding Abstracts and Conferences).

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