Progetti in evidenza
Fondo Europeo Pesca(591 visite)
Fondazione Veronesi(Link esterno)
MFAG Grant(1101 visite)
Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides (55 visite)
J Phys Chem Lett (ISSN: 1948-7185electronic, 1948-7185linking), 2017 Apr 20; 8(8): 1777-1783.
Tipo di articolo: Journal Article,
Impact factor: 9.353
Impact factor a 5 anni: 8.334
Parole chiave: Non disponibili.
Url: Non disponibile.
For the first time, ultrafast deactivations of photoexcited water-solvated pyrimidine nucleosides are mapped employing hybrid QM(CASPT2)/MM(AMBER) optimizations that account for explicit solvation, sugar effects, and dynamically correlated potential energy surfaces. Low-energy S1/S0 ring-puckering and ring-opening conical intersections (CIs) are suggested to drive the ballistic coherent subpicosecond (<200 fs) decays observed in each pyrimidine, the energetics controlling this processes correlating with the lifetimes observed. A second bright 1pi2pi* state, promoting excited-state population branching and leading toward a third CI with the ground state, is proposed to be involved in the slower ultrafast decay component observed in Thd/Cyd. The transient spectroscopic signals of the competitive deactivation channels are computed for the first time. A general unified scheme for ultrafast deactivations, spanning the sub- to few-picosecond time domain, is eventually delivered, with computed data that matches the experiments and elucidates the intrinsic photoprotection mechanism in solvated pyrimidine nucleosides.
*** IBB - CNR ***
Dipartimento di Chimica Industriale "Toso Montanari" Viale del Risorgimento, 4, 40136 Bologna, Italy., Laboratoire de Chimie UMR 5182, Universite Lyon, ENS de Lyon, CNRS, Universite Lyon 1 , F-69342 Lyon, France., Istituto di Biostrutture e Bioimmagini CNR , Via Mezzocannone 16, I-80134 Napoli, Italy.,
Esporta in BibTeX Esporta in EndNote
Ultima modifica di Gennaro Angrisano in data Tuesday 16 May 2017, 16:18:23
55 visite. Ultima visita in data Tuesday 23 October 2018, 19:43:35
Nessun bando in corso.
Archivio Concorsi>>> (955 visite)
Nessun evento in programma.
Archivio Eventi>>> (885 visite)