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The effect of methylation on the excited state dynamics of aminouracils (42 views)

Gustavsson T, Improta R, Banyasz A, Vaya I, Markovitsi D

J Photochem Photobiol A Chem (ISSN: 1010-6030), 2012 Apr 15; 234: 37-43.

Abstract
The excited state properties of two amino substituted uracils, 5-aminouracil (5AU) and 5-dimethylaminouracil (5DMAU) have been studied by steady-state and time-resolved fluorescence spectroscopy. In addition, the electronic transitions corresponding to photon absorption and emission were calculated using the TD-DFT/PCM method (with PBE0 and CAM-B3LYP functionals), explicitly including water molecules of the first solvent shell. The fluorescence decays, recorded by fluorescence upconversion, reveal that the emitting states of both molecules are substantially longer-lived than that of uracil. However, while the 5AU fluorescence decays on a picosecond timescale, the 5DMAU fluorescence contains a weak, long-lived component, continuing beyond 100 ps. Calculations show that the excited state deactivation of 5AU is governed by the existence of a minimum on the ππ* excited state potential energy surface. For 5DMAU, on the other hand, a very long-lived but weakly fluorescent intramolecular charge transfer (ICT) state, involving a significant charge transfer between the dimethylamino group and the pyrimidine ring, is found. This stable ICT state is characterized by a rotation of the dimethylamino group towards a quasi-perpendicular geometry. © 2012 Elsevier B.V. All rights reserved.

Affiliations ▼
*** IBB - CNR Affiliation

CNRS, IRAMIS, URA 2453, 91191 Gif-sur-Yvette, France

Istituto Biostrutture e Bioimmagini, CNR, Via Mezzocannone 16, I-80134 Napoli, Italy

Details ▼
Impact factor: 2.416, 5-year impact factor: 2.691

Paper type: Journal Article,

Keywords: Dna, Excited State, Femtosecond, Fluorescence Upconversion, Nucleobases, Td-Dft, Time-Resolved Fluorescence,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84859538922&partnerID=40&md5=898683f4b373b5ad4d870d0e959a0cd9

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* Assessing solvent effects on the singlet excited state lifetime of uracil derivatives: A femtosecond fluorescence upconversion study in alcohols and D2O (39 views)
Gustavsson T, Bányász A, Sarkar N, Markovitsi D, Improta R
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* Statin: New life for an old drug (78 views)
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2 Records (2 excluding Abstracts and Conferences).
Total impact factor: 5.937 (5.937 excluding Abstracts and Conferences).
Total 5-year impact factor: 6.397 (6.397 excluding Abstracts and Conferences).



Your bibliography query: (([btitle, keywords, abstract] EXCITED AND [btitle, keywords, abstract] STATE AND [btitle, keywords, abstract] FEMTOSECOND AND [btitle, keywords, abstract] FLUORESCENCE AND [btitle, keywords, abstract] UPCONVERSION AND [btitle, keywords, abstract] NUCLEOBASES)) AND NOT [id] = 10621



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