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Ultrafast Excited-State Deactivation of 8-Hydroxy-2′-deoxyguanosine Studied by Femtosecond Fluorescence Spectroscopy and Quantum-Chemical Calculations (98 visite)

Changenet-Barret P, Gustavsson T, Improta R, Markovitsi D

J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(23): 6131-6139.

Tipo di articolo: Journal Article,

Impact factor: 2.883

Impact factor a 5 anni: 2.709

Parole chiave: Biomolecules, Fluorescence, Fluorescence Spectroscopy, Geometry, Quantum Chemistry, Quantum Theory, Femtosecond Fluorescence, Fluorescence Anisotropy, Fluorescence Properties, Fluorescence Quantum Yield, Quantum Chemical Calculations, Steady State Fluorescences, Steady State Spectroscopy, Visible Spectral Regions, Excited States,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84935884627&partnerID=40&md5=c89096d8210080e59a1053ce491c1deb

The fluorescence properties of the 8-hydroxy-2′-deoxyguanosine (8-oxo-dG) in aqueous solution at pH 6.5 are studied by steady-state spectroscopy and femtosecond fluorescence up-conversion and compared with those of 2′-deoxyguanine (dG) and 2′-deoxyguanine monophosphate (dGMP). The steady-state fluorescence spectrum of 8-oxo-dG is composed of a broad band that peaks at 356 nm and extends over the entire visible spectral region, and its fluorescence quantum yield is twice that of dG/dGMP. After excitation at 267 nm, the initial fluorescence anisotropy at all wavelengths is lower than 0.1, giving evidence of an ultrafast internal conversion (<100 fs) between the two lowest excited ππ∗ states (Lb and La). The fluorescence decays of 8-oxo-dG are biexponential with an average lifetime of 0.7 ± 0.1 ps, which is about two times longer than that of dGMP. In contrast with dGMP, only a moderate dynamical shift (∼1400 vs 10 000 cm-1) of the fluorescence spectra of 8-oxo-dG is observed on the time scale of a few picoseconds without modification of the spectral shape. PCM/TD-DFT calculations, employing either the PBE0 or the M052X functionals, provide absorption spectra in good agreement with the experimental one and show that the deactivation path is similar to that proposed for dGMP, with a fast motion toward an energy plateau, where the purine ring keeps an almost planar geometry, followed by decay to S0, via out-of-the plane motion of amino substituent. © 2015 American Chemical Society.
*** IBB - CNR ***

CNRS, IRAMIS, Laboratoire Francis Perrin, Gif sur Yvette, France

Consiglio Nazionale Delle Ricerche, Istituto di Biostrutture e Bioimmagini, Naples, Italy

Laboratoire d'Optique et Biosciences, Ecole Polytechnique, INSERM, Palaiseau cedex, France
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23 Records (21 escludendo Abstract e Conferenze).
Impact factor totale: 70.236 (66.297 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 74.961 (70.645 escludendo Abstract e Conferenze).

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