Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution
CNR Ibb | back to homepage
▲NavBar
Ricerca avanzata▼
Contiene: [X]      Estesa     Autori: [X]  Tipo di lavoro: [X]   Data iniziale: Data finale: [X]      Sede: Affiliazione IBB     
    
[Pulisci modulo]


Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (96 visite)

Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R

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.
Nessun risultato.
Nessun risultato.

Ricerca avanzata▼
Contiene: [X]      Estesa     Autori: [X]  Tipo di lavoro: [X]   Data iniziale: Data finale: [X]      Sede: Affiliazione IBB     
    
[Pulisci modulo]
Vai a fine pagina   Versione per copia e incolla facile   Esporta tutto in BibTeX   Esporta tutto 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 (37 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 (67 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017 Oct 26; 23(60): 15177-15188.
Impact Factor: 5.16
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 (148 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 (123 visite)
P Natl Acad Sci Usa (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

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 (106 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

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 (150 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 (164 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

Improta R, Barone V
* Interplay between "neutral" and "charge-transfer" excimers rules the excited state decay in adenine-rich polynucleotides (86 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

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 (116 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

Santoro F, Improta R, Barone V
* Three-dimensional diabatic models for the ππ* → nπ*excited-state decay of uracil derivatives in solution (107 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 (128 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 (97 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



12 Records (12 escludendo Abstract e Conferenze).
Impact factor totale: 82.33 (82.33 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 81.649 (81.649 escludendo Abstract e Conferenze).







    Esporta in BibTeX    Esporta in EndNote