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Novel adenine/thymine photodimerization channels mapped by PCM/TD-DFT calculations on dApT and TpdA dinucleotides (12 views)

Martinez-fernandez L, Improta R

Photochem Photobiol Sci (ISSN: 1474-9092electronic, 1474-905xlinking), 2017 Jun 22; N/D: N/D-N/D.

Despite the biological relevance of AT-rich DNA sequences, the excited state paths associated with the photochemical reactions involving adenine and thymine stacked pairs have never been characterized, and the structure of the most abundant photoproduct in DNA is unknown. PCM/TD-M052X calculations on dApT and TpdA unveil the paths leading to the main photoproduct in TpdA, provide new insights into the reasons why it is not formed in dApT and show the existence of a new photochemical path, which could produce the precursor of the most abundant genomic AT/TA photoproduct. Our calculations confirm that anti/anti conformers are photochemically active and show that the dynamical solvation effects could significantly modulate the reaction yields.

Affiliations ▼
*** IBB - CNR Affiliation

Consiglio Nazionale delle Ricerche, Istituto di Biostrutture e Bioimmagini, 80134 Naples, Italy., Consiglio Nazionale delle Ricerche, Istituto di Biostrutture e Bioimmagini, 80134 Naples, Italy and LIDYL, CEA, CNRS, Universite Paris, Saclay, F-91191 Gif-sur-Yvette, France. robimp@unina.it.,

Details ▼
Impact factor: 2.344, 5-year impact factor: 2.474

Paper type: Journal Article,

Keywords: Not available.

Url: Not available.

References ▼
Not available.

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* Solid phase synthesis and RNA-binding activity of an arginine-containing nucleopeptide (58 views)
Roviello GN, Vicidomini C, Di Gaetano S, Capasso D, Musumeci D, Roviello V
Rsc Advances (ISSN: 2046-2069), 2016; 6(17): 14140-14148.
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* Solid phase synthesis of TyrT, a thymine-tyrosine conjugate with poly(A) RNA-binding ability (179 views)
Roviello GN, Roviello V, Autiero I, Saviano M
Rsc Advances (ISSN: 2046-2069), 2016; 6(33): 27607-27613.
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* Synthesis of a diaminopropanoic acid-based nucleoamino acid and assembly of cationic nucleopeptides for biomedical applications (61 views)
Roviello GN, Musumeci D, Bucci EM, Pedone C
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2012 Dec; 43(6): 2537-2543.
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* Synthesis, biological evaluation and supramolecular assembly of novel analogues of peptidyl nucleosides (401 views)
Roviello GN, Ricci A, Bucci EM, Pedone C
Mol Biosyst (ISSN: 1742-206x, 1742-2051, 1742-2051electronic), 2011 May; 7(5): 1773-1778.
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4 Records (4 excluding Abstracts and Conferences).
Total impact factor: 13.664 (13.664 excluding Abstracts and Conferences).
Total 5-year impact factor: 13.961 (13.961 excluding Abstracts and Conferences).

Your bibliography query: (([btitle, keywords, abstract] NOVEL AND [btitle, keywords, abstract] ADENINE AND [btitle, keywords, abstract] THYMINE)) AND NOT [id] = 53546

Last modified by Gennaro Angrisano on Monday 10 July 2017, 12:21:24
12 views. Last viewed on Thursday 22 February 2018, 1:51:00

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