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Collegamenti



Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (75 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


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,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-83055197004&partnerID=40&md5=badce0a8bbb0ea483904de0f64c1ad3b

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.
*** 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
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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

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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 (115 visite)
Photochem Photobiol Sci (ISSN: 1474-905x), 2013; 12(8): 1527-1543.
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Santoro F, Improta R, Barone V
* Three-dimensional diabatic models for the ππ* → nπ*excited-state decay of uracil derivatives in solution (80 visite)
Theor Chem Acc (ISSN: 1432-881x), 2009 Jun; 123(3-4): 273-286.
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2 Records (2 escludendo Abstract e Conferenze).
Impact factor totale: 5.523 (5.523 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 5.344 (5.344 escludendo Abstract e Conferenze).







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