 |
 |
 |
|
Progetti in evidenza
 INCIPIT ISTAPCA Fondo Europeo Pesca Euro-BioImaging Fondazione Veronesi LightDyNAmics INMiND Instruct-IT PRIN eHealthNet Ponrec MFAG Grant MERITCollegamenti
|
 Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (86 visite) J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667. Tipo di articolo: Journal Article, Impact factor: 9.907, Impact factor a 5 anni: 9.766 Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-83055197004&partnerID=40&md5=badce0a8bbb0ea483904de0f64c1ad3b Parole chiave: Broad Bands, Charge Transfer State, Excited-State Decay, Excited-State Proton Transfer, Gasphase, Guanine, Guanine Cytosines, Internal Conversions, Polar Environments, Population Transfer, Time Dependent Density Functional Theory, Transient Absorption Spectroscopies, Ultra-Fast, Ultra-Fast Dynamics, Population Statistics, Positive Ions, Excited States, Chloroform, Monomer, Article, Chemical Environment, Chemical Reaction, Energy, Excited State Proton Transfer, Molecular Dynamics, Proton Transport, Base Pairing, Quantum Theory, Solutions, Spectrum Analysis, Affiliazioni: *** IBB - CNR *** Department of Physical Chemistry, Heinrich-Heine University, University-str. 1, D-40225 Düsseldorf, Germany Department of Chemistry, Humboldt-Universität zu Berlin, Brook-Taylor-Str. 2, D-12489 Berlin, Germany Istituto Biostrutture e Bioimmagini-CNR, Via Mezzocannone 16, I-80134 Napoli, Italy Riferimenti: Löwdin, P.O., (1963) Rev. Mod. Phys., 35, p. 72 Löwdin, P.O., (1965) Mutat. Res., 2, p. 218 Kryachko, E.S., (2002) Int. J. Quantum Chem., 90, p. 910 Middleton, C.T., De La Harpe, K., Su, C., Law, Y.K., Crespo-Hernández, C.E., Kohler, B., (2009) Annu. Rev. Phys. Chem., 60, pp. 217-239 Markovitsi, D., Gustavsson, T., Vayà, I., (2010) J. Phys. Chem. Lett., 1, pp. 3271-3276 Schultz, T., Samoylava, E., Radloff, W., Hertl, I.V., Sobolewski, A.L., Domcke, W., (2004) Science, 306, pp. 1765-1768 Nir, E., Plützer, Ch., Kleinermanns, K., De Vries, M., (2002) Eur. Phys. J. D., 20, pp. 317-329 Abo-Riziq, A., Grace, L., Nir, E., Kabelac, M., Hobza, P., De Vries, M.S., (2005) Proc. Natl. Acad. Sci. U.S.A., 102, pp. 20-23 Markwick, P.R.L., Doltsinis, N.L., (2007) J. Chem. Phys., 126, p. 175102 Groenhof, G., Schäfer, L.V., Boggio-Pasqua, M., Goette, M., Grubmüller, H., Robb, M.A., (2007) J. Am. Chem. Soc., 129, pp. 6812-6819 Schwalb, N.K., Michalak, T., Temps, F., (2009) J. Phys. Chem. B, 113, pp. 16365-16376 Schwalb, N.K., Temps, F., (2007) J. Am. Chem. Soc., 129, pp. 9272-9273 De La Harpe, K., Crespo-Hernández, C.E., Kohler, B., (2009) J. Am. Chem. Soc., 131, pp. 17557-17559 Miannay, F.-A., Bányász, A., Gustavsson, T., Markovitsi, D., (2007) J. Am. Chem. Soc., 129, pp. 14574-14575 Vayá, I., Changenet-Barret, P., Gustavsson, T., Zikich, D., Kotlyar, A.B., Markovitsi, D., (2010) Photochem. Photobiol. Sci., 9, pp. 1193-1195 Doorley, G.W., (2008) Ang. Chem., Int. Ed., 48, pp. 123-127 Kovalenko, S.A., Schanz, R., Henning, H., Ernsting, N.P., (2001) J. Chem. Phys., 115, p. 3256 Karunakaran, V., Kleinermanns, K., Improta, R., Kovalenko, S.A., (2009) J. Am. Chem. Soc., 131, p. 5839 L wdin, P. O., (1963) Rev. Mod. Phys., 35, p. 72 L wdin, P. O., (1965) Mutat. Res., 2, p. 218 Kryachko, E. S., (2002) Int. J. Quantum Chem., 90, p. 910 Middleton, C. T., De La Harpe, K., Su, C., Law, Y. K., Crespo-Hern ndez, C. E., Kohler, B., (2009) Annu. Rev. Phys. Chem., 60, pp. 217-239 Nir, E., Pl tzer, Ch., Kleinermanns, K., De Vries, M., (2002) Eur. Phys. J. D., 20, pp. 317-329 Markwick, P. R. L., Doltsinis, N. L., (2007) J. Chem. Phys., 126, p. 175102 Groenhof, G., Sch fer, L. V., Boggio-Pasqua, M., Goette, M., Grubm ller, H., Robb, M. A., (2007) J. Am. Chem. Soc., 129, pp. 6812-6819 Schwalb, N. K., Michalak, T., Temps, F., (2009) J. Phys. Chem. B, 113, pp. 16365-16376 Schwalb, N. K., Temps, F., (2007) J. Am. Chem. Soc., 129, pp. 9272-9273 Miannay, F. -A., B ny sz, A., Gustavsson, T., Markovitsi, D., (2007) J. Am. Chem. Soc., 129, pp. 14574-14575 Vay, I., Changenet-Barret, P., Gustavsson, T., Zikich, D., Kotlyar, A. B., Markovitsi, D., (2010) Photochem. Photobiol. Sci., 9, pp. 1193-1195 Doorley, G. W., (2008) Ang. Chem., Int. Ed., 48, pp. 123-127 Kovalenko, S. A., Schanz, R., Henning, H., Ernsting, N. P., (2001) J. Chem. Phys., 115, p. 3256 Different derivatives of Guanine (G) and Cytosine (C), which sterically enforce the Watson-Crick (WC) conformer, have been studied in CHCl 3 by means of broad-band transient absorption spectroscopy. Our experiments rule out the involvement of an Excited State Proton Transfer (ESPT), which dominates the excited state decay of GC in the gas phase. Instead, the ultrafast dynamics via internal conversion occurs in a polar environment mainly by relaxation in the monomer moieties. Time-dependent density functional theory (TD-DFT) calculations in solution indeed indicate that population transfer from the bright excited states toward the charge transfer state is not effective in CHCl 3 and a noticeable energy barrier is associated with the ESPT reaction. ESPT is therefore not expected to be a main deactivation route for GC pairs within DNA. © 2011 American Chemical Society.
Martinez-fernandez L, Banyasz A, Markovitsi D, Improta R * Topology Controls the Electronic Absorption and Delocalization of Electron Holes in Guanine Quadruplexes (11 visite) Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018 Oct 12; 24(57): 15185-15189. Impact Factor: 5.476 Dettagli Esporta in BibTeX Esporta in EndNote Liu Y, Martínez-fernández L, Cerezo J, Prampolini G, Improta R, Santoro F * Multistate coupled quantum dynamics of photoexcited cytosine in gas-phase: Nonadiabatic absorption spectrum and ultrafast internal conversions (30 visite) Chem Phys (ISSN: 0301-0104), 2018; 515: 452-463. Impact Factor: 2.843 Dettagli Esporta in BibTeX Esporta in EndNote Conti I, Martinez-fernandez L, Esposito L, Hofinger S, Nenov A, Garavelli M, Improta R * Multiple Electronic and Structural Factors Control Cyclobutane Pyrimidine Dimer and 6-4 Thymine-Thymine Photodimerization in a DNA Duplex (51 visite) Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2017 Oct 26; 23(60): 15177-15188. Impact Factor: 5.476 Dettagli Esporta in BibTeX Esporta in EndNote Huix-Rotllant M, Brazard J, Improta R, Burghardt I, Markovitsi D * Stabilization of mixed frenkel-charge transfer excitons extended across both strands of guanine-cytosine DNA duplexes (127 visite) J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic), 2015; 6(12): 2247-2251. Impact Factor: 8.539 Dettagli Esporta in BibTeX Esporta in EndNote Zhang Y, Dood J, Beckstead AA, Li X-B, Nguyen KV, Burrows CJ, Improta R, Kohler B * Efficient UV-induced charge separation and recombination in an 8-oxoguanine-containing dinucleotide (114 visite) Proc Natl Acad Sci U S A (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Sep 12; 111(32): 11612-11617. Impact Factor: 9.674 Dettagli Esporta in BibTeX Esporta in EndNote Improta R * Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex (115 visite) Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jun 23; 20(26): 8106-8115. Impact Factor: 5.731 Dettagli Esporta in BibTeX Esporta in EndNote Santoro F, Improta R, Fahleson T, Kauczor J, Norman P, Coriani S * Relative stability of the La and Lb excited states in adenine and guanine: Direct evidence from TD-DFT calculations of MCD spectra (104 visite) J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic), 2014 Jun 5; 5(11): 1806-1811. Impact Factor: 7.458 Dettagli Esporta in BibTeX Esporta in EndNote Banyasz A, Gustavsson T, Onidas D, Changenet-Barret P, Markovitsi D, Improta R * Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (98 visite) Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774. Impact Factor: 5.696 Dettagli Esporta in BibTeX Esporta in EndNote Arena G, Attanasio F, Zhang D, Yang Y, Bartsch RA, Sgarlata C * Selective sensing of Hg2+ by a proton-ionizable calix[4]arene fluoroionophore (145 visite) Analytical And Bioanalytical Chemistry (ISSN: 1618-2642), 2013 Jan; 405(2-3): 1133-1137. Impact Factor: 3.578 Dettagli Esporta in BibTeX Esporta in EndNote Santoro F, Improta R, Avila Ferrer FJ, Segado M, Lami A * The interplay between neutral exciton and charge transfer states in single-strand polyadenine: A quantum dynamical investigation (124 visite) Photochem Photobiol Sci (ISSN: 1474-905x), 2013; 12(8): 1527-1543. Impact Factor: 2.939 Dettagli Esporta in BibTeX Esporta in EndNote Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D * Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (128 visite) J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845. Impact Factor: 10.677 Dettagli Esporta in BibTeX Esporta in EndNote Hua Y, Changenet-Barret P, Improta R, Vaya I, Gustavsson T, Kotlyar AB, Zikich D, Sket P, Plavec J, Markovitsi D * Cation effect on the electronic excited states of guanine nanostructures studied by time-resolved fluorescence spectroscopy (134 visite) J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689. Impact Factor: 4.814 Dettagli Esporta in BibTeX Esporta in EndNote Improta R, Barone V * Interplay between "neutral" and "charge-transfer" excimers rules the excited state decay in adenine-rich polynucleotides (80 visite) Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2011 Dec 9; 50(50): 12016-12019. Impact Factor: 13.455 Dettagli Esporta in BibTeX Esporta in EndNote Picconi D, Barone V, Lami A, Santoro F, Improta R * The Interplay between ππ*/nπ* excited states in gas-phase thymine: A quantum dynamical study (82 visite) Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-7641electronic), 2011 Jul 11; 12(10): 1957-1968. Impact Factor: 3.412 Dettagli Esporta in BibTeX Esporta in EndNote Gustavsson T, Banyasz A, Improta R, Markovitsi D * Femtosecond fluorescence studies of DNA/RNA constituents (76 visite) J Phys Conf Ser (ISSN: 1742-6588), 2011; 261(1): 13-13. Impact Factor: 0.895 Dettagli Esporta in BibTeX Esporta in EndNote Banyasz A, Karpati S, Mercier Y, Reguero M, Gustavsson T, Markovitsi D, Improta R * The peculiar spectral properties of amino-substituted uracils: A combined theoretical and experimental study (110 visite) J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Oct 7; 114(39): 12708-12719. Impact Factor: 3.603 Dettagli Esporta in BibTeX Esporta in EndNote Changenet-Barret P, Emanuele E, Gustavsson T, Improta R, Kotlyar AB, Markovitsi D, Vaya I, Zakrzewska K, Zikich D * Optical properties of guanine nanowires: Experimental and theoretical study (93 visite) J Phys Chem C (ISSN: 1932-7447), 2010 Sep 2; 114(34): 14339-14346. Impact Factor: 4.524 Dettagli Esporta in BibTeX Esporta in EndNote Gustavsson T, Improta R, Markovitsi D DNA/RNA: Building blocks of life under UV irradiation (95 visite) J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2010 Jul 1; 1(13): 2025-2030. Impact Factor: 6.687 Dettagli Esporta in BibTeX Esporta in EndNote Improta R, Barone V, Lami A, Santoro F * Quantum dynamics of the ultrafast ππ*/nπ* population transfer in uracil and 5-fluoro-uracil in water and acetonitrile (123 visite) J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2009 Oct 29; 113(43): 14491-14503. Impact Factor: 3.471 Dettagli Esporta in BibTeX Esporta in EndNote Santoro F, Improta R, Barone V * Three-dimensional diabatic models for the ππ* → nπ*excited-state decay of uracil derivatives in solution (87 visite) Theor Chem Acc (ISSN: 1432-881x), 2009 Jun; 123(3-4): 273-286. Impact Factor: 2.584 Dettagli Esporta in BibTeX Esporta in EndNote Karunakaran V, Kleinermanns K, Improta R, Kovalenko SA * Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations (116 visite) J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850. Impact Factor: 8.58 Dettagli Esporta in BibTeX Esporta in EndNote Santoro F, Barone V, Improta R * The Excited States Decay Of The A-T Dna: A Pcm/Td-Dft Study In Aqueous Solution Of The (9-Methyl-Adenine) 2 (1-Methyl-Thymine) 2 Stacked Tetramer (90 visite) J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(42): 15232-15245. Impact Factor: 8.58 Dettagli Esporta in BibTeX Esporta in EndNote Improta R, Barone V * The excited states of adenine and thymine nucleoside and nucleotide in aqueous solution: A comparative study by time-dependent DFT calculations (97 visite) Theor Chem Acc (ISSN: 1432-881x), 2008 Jul; 120(4-6): 491-497. Impact Factor: 2.37 Dettagli Esporta in BibTeX Esporta in EndNote Improta R, Scalmani G, Frisch MJ, Barone V * Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach (90 visite) J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Sep 21; 127(7): N/D-N/D. Impact Factor: 3.044 Dettagli Esporta in BibTeX Esporta in EndNote Improta R, Barone V, Scalmani G, Frisch MJ * A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution (102 visite) J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Sep 7; 125(5): N/D-N/D. Impact Factor: 3.166 Dettagli Esporta in BibTeX Esporta in EndNote Granata V, Palladino P, Tizzano B, Negro A, Berisio R, Zagari A * The effect of the osmolyte trimethylamine N-oxide on the stability of the prion protein at low pH (82 visite) Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2006 Jun 15; 82(3): 234-240. Impact Factor: 2.48 Dettagli Esporta in BibTeX Esporta in EndNote Cappiello M, Alterio V, Amodeo P, Del Corso A, Scaloni A, Pedone C, Moschini R, De Donatis GM, De Simone G, Mura U * A new spot test for sulfhydryl-containing compounds (153 visite) Anal Biochem, 2006 Mar 14; 79(1-2): 610-611. Impact Factor: 2.305 Dettagli Esporta in BibTeX Esporta in EndNote Cappiello M, Alterio V, Amodeo P, Del Corso A, Scaloni A, Pedone C, Moschini R, De Donatis GM, De Simone G, Mura U * Metal ion substitution in the catalytic site greatly affects the binding of sulfhydryl-containing compounds to leucyl aminopeptidase (160 visite) Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Mar 14; 45(10): 3226-3234. Impact Factor: 3.633 Dettagli Esporta in BibTeX Esporta in EndNote 28 Records (25 escludendo Abstract e Conferenze). Impact factor totale: 145.69 (138.585 escludendo Abstract e Conferenze). Impact factor a 5 anni totale: 147.829 (140.371 escludendo Abstract e Conferenze). Esporta in BibTeX Esporta in EndNote Ultima modifica di Marco Comerci in data Thursday 19 March 2015, 16:43:14 86 visite. Ultima visita in data Friday 28 December 2018, 21:37:36 |
Notizie
 Post Doctoral fellowship w2019 award Fondazione Umberto Veronesi  Innova S@lute 2017Bambini Liberi progetto coordinato dal Cnr, vince il premio Innova S@lute 2017 (161 visite)  Sperimentato su pazienti pediatrici un esoscheletro personalizzato progettato da ricercatori Cnr (485 visite)SmartCity Radio24-Sole 24 Ore Intervista il Dott. Alessandro Soluri sulla Pocket Gamma Camera (272 visite) Accordo cooperazione tra IBB ed il Dipartimento di Ingegneria Biomedica dell’Università di Pechino (567 visite) Archivio Notizie>>> (766 visite) Post Doctoral fellowship w2019 award Fondazione Umberto Veronesi Innova S@lute 2017Bambini Liberi progetto coordinato dal Cnr, vince il premio Innova S@lute 2017 (161 visite) Sperimentato su pazienti pediatrici un esoscheletro personalizzato progettato da ricercatori Cnr (485 visite)SmartCity Radio24-Sole 24 Ore Intervista il Dott. Alessandro Soluri sulla Pocket Gamma Camera (272 visite) Accordo cooperazione tra IBB ed il Dipartimento di Ingegneria Biomedica dell’Università di Pechino (567 visite) Archivio Notizie>>> (766 visite) Post Doctoral fellowship w2019 award Fondazione Umberto Veronesi Innova S@lute 2017Bambini Liberi progetto coordinato dal Cnr, vince il premio Innova S@lute 2017 (161 visite) Sperimentato su pazienti pediatrici un esoscheletro personalizzato progettato da ricercatori Cnr (485 visite)SmartCity Radio24-Sole 24 Ore Intervista il Dott. Alessandro Soluri sulla Pocket Gamma Camera (272 visite) Accordo cooperazione tra IBB ed il Dipartimento di Ingegneria Biomedica dell’Università di Pechino (567 visite) Archivio Notizie>>> (766 visite) Concorsi
Apparecchiature
Eventi
24 Gennaio 2019 ore 12:00 (40 visite)Caratterizzazione di sistemi biologici attraverso modelli computazionaliArchivio Eventi>>> (901 visite) Altre risorse
|
Webmaster and developer: Marco Comerci
Per problemi e suggerimenti: admin
ibb.cnr.it
Ultimo aggiornamento: Tuesday 15 January 2019, 12:04:17
Per problemi e suggerimenti: admin
ibb.cnr.itUltimo aggiornamento: Tuesday 15 January 2019, 12:04:17