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Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (94 visite)

Banyasz A, Gustavsson T, Onidas D, Changenet-Barret P, Markovitsi D, Improta R

Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.

Tipo di articolo: Journal Article, , Impact factor: 5.696, Impact factor a 5 anni: 5.608, Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84874615685&partnerID=40&md5=c9d0673277a73d5ff01df147b40da513

Parole chiave: Charge Transfer, Dna Excited States, Excitons, Fluorescence Spectroscopy, Quantum Mechanical Calculations, Charge Transfer State, Degree Of Localization, Dft Calculation, Dominant Species, Electronic Transition, Excited State Relaxation, Exciton State, Experimental Observation, Femtoseconds, Fluorescence Anisotropy Decay, Fluorescence Behaviors, Fluorescence Decays, Model System, Quantum-Mechanical Calculation, Singlet Excited State, Spectral Domains, Spectroscopic Signatures, Sub Nanoseconds, Theoretical And Experimental, Theoretical Investigations, Time-Dependent, Time-Resolved Fluorescence Spectra, Time-Scales, Decay (organic), Density Functional Theory, Oligomers, Solutions, Ultraviolet Radiation, Adenine, Water, Article, Chemical Structure, Chemistry, Quantum Theory, Solution And Solubility, Ultraviolet Spectrophotometry, Molecular, Time Factors,

Affiliazioni: *** IBB - CNR ***
CNRS, IRAMIS, Laboratoire Francis Perrin, 91191 Gif-sur-Yvette, France
Instituto Biostrutture e Biommagini-CNR, Via Mezzocannone 16, 80134 Napoli, Italy


Riferimenti: Middleton, C.T., De La Harpe, K., Su, C., Law, U.K., Crespo-Hernández, C.E., Kohler, B., (2009) Ann. Rev. Phys. Chem., 60, pp. 217-23

Markovitsi, D., Gustavsson, T., Vayá, I., (2010) J. Phys. Chem. Lett., 1, pp. 3271-3276

Kohler, B., (2010) J. Phys. Chem. Lett., 1, pp. 2047-2053

Gustavsson, T., Improta, R., Markovitsi, D., (2010) J. Phys. Chem. Lett., 1, pp. 2025-2030

Markovitsi, D., Sharonov, A., Onidas, D., Gustavsson, T., (2003) ChemPhysChem, 4, pp. 303-305

Markovitsi, D., Talbot, F., Gustavsson, T., Onidas, D., Lazzarotto, E., Marguet, S., (2006) Nature, 441, p. 7. , EE 7

Kwok, W.M., Ma, C.S., Phillips, D.L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905

Schwalb, N.K., Temps, F., (2008) Science, 322, pp. 243-245

Stuhldreier, M.C., (2011) Ultrafast Phenomena XVII, pp. 553-555. , (Eds.: M. Chergui, D. M. Jonas, E. Riedle, R. W. Schoenlein, A. J. Taylor), Oxford University Press, Oxford

Buchvarov, I., Wang, Q., Raytchev, M., Trifonov, A., Fiebig, T., (2007) Proc. Natl. Acad. Sci. USA, 104, pp. 4794-4797

Nachtigallová, D., Zeleny, T., Ruckenbauer, M., Muller, T., Barbatti, M., Hobza, P., Lischka, H., (2010) J. Am. Chem. Soc., 132, pp. 8261-8263

Miannay, F.-A., Banyasz, A., Gustavsson, T., Markovitsi, D., (2007) J. Am. Chem. Soc., 129, p. 14574

Vayá, I., Gustavsson, T., Douki, T., Berlin, Y., Markovitsi, D., (2012) J. Am. Chem. Soc., 134, pp. 11366-11368

Takaya, T., Su, C., De La Harpe, K., Crespo-Hernandez, C.E., Kohler, B., (2008) Proc. Natl. Acad. Sci. USA, 105, pp. 10285-10290

Banyasz, A., Vaya, I., Changenet-Barret, P., Gustavsson, T., Douki, T., Markovitsi, D., (2011) J. Am. Chem. Soc., 133, pp. 5163-5165

Riley, M., Maling, B., Mj, C., (1966) J. Mol. Biol., 20, pp. 359-389

Santoro, F., Barone, V., Improta, R., (2007) Proc. Natl. Acad. Sci. USA, 104, pp. 9931-9936

Lange, A.W., Herbert, J.M., (2009) J. Am. Chem. Soc., 131, pp. 3913-3922

Olaso-Gonzàlez, G., Merchan, M., Serrano-Andres, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377

Lu, Y., Lan, Z.G., Thiel, W., (2011) Angew. Chem., 123, pp. 6996-6999

(2011) Angew. Chem. Int. Ed., 50, pp. 6864-6867

Conti, I., Altoe, P., Stenta, M., Garavelli, M., Orlandi, G., (2010) Phys. Chem. Chem. Phys., 12, pp. 5016-5023

Improta, R., Barone, V., (2011) Angew. Chem., 123, pp. 12222-12225

Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev., 105, pp. 2999-3093

Perun, S., Sobolewski, A.L., Domcke, W., (2005) J. Am. Chem. Soc., 127, pp. 6257-6265

Blancafort, L., (2006) J. Am. Chem. Soc., 128, pp. 210-219

Barbatti, M., Lischka, H., (2008) J. Am. Chem. Soc., 130, pp. 6831-6839

Hassan, W.M.I., Chung, W.C., Shimakura, N., Koseki, S., Kono, H., Fujimura, Y., (2010) Phys. Chem. Chem. Phys., 12, pp. 5317-5328

Fabiano, E., Thiel, W., (2008) J. Phys. Chem. A, 112, pp. 6859-6863

Lan, Z., Lu, Y., Fabiano, E., Thiel, W., (2011) ChemPhysChem, 12, pp. 1989-1998

Caruso, P., Causa, M., Cimino, P., Crescenzi, O., Damore, M., Improta, R., Pavone, M., Rega, N., (2012) Theor. Chem. Acc., p. 131

Conti, I., Garavelli, M., Orlandi, G., (2009) J. Am. Chem. Soc., 131, pp. 16108-16118

Barbatti, M., Aquino, A.J.A., Szymczak, J.J., Nachtigallova, D., Hobza, P., Lischka, H., (2010) Proc. Natl. Acad. Sci. USA, 107, pp. 21453-21458

Barone, V., (2011) Computational Strategies for Spectroscopy: From Small Molecules to Nano Systems, , in, Wiley, New York

Improta, R., (2008) Phys. Chem. Chem. Phys., 10, pp. 2656-2664

Dreuw, A., Head-Gordon, M., (2005) Chem. Rev., 105, pp. 4009-4037

Zhao, Y., Truhlar, D.G., (2008) Acc. Chem. Res., 41, pp. 157-167

Zhao, Y., Schultz, N.E., Truhlar, D.G., (2006) J. Chem. Theory Comput., 2, pp. 364-382

Aquino, A.J.A., Nachtigallova, D., Hobza, P., Truhlar, D.G., Haettig, C., Lischka, H., (2011) J. Comput. Chem., 32, pp. 1217-1227

Improta, R., Scalmani, G., Frisch, M.J., Barone, V., (2007) J. Chem. Phys., 127, p. 74504

Kim, S.K., Nielsen, P.E., Egholm, M., Buchardt, O., Berg, R.H., Norden, B., (1993) J. Am. Chem. Soc., 115, pp. 6477-6481

Avila Ferrer, F.J., Improta, R., Santoro, F., Barone, V., (2011) Phys. Chem. Chem. Phys., 13, pp. 17007-17012

Onidas, D., Markovitsi, D., Marguet, S., Sharonov, A., Gustavsson, T., (2002) J. Phys. Chem. B, 106, pp. 11367-11374

Markovitsi, D., Onidas, D., Gustavsson, T., Talbot, F., Lazzarotto, E., (2005) J. Am. Chem. Soc., 127, pp. 17130-17131

Chandrasekaran, R., Radha, A., Park, H.S., (1995) Acta Crystallogr. Sect. D, 51, pp. 1025-1035

Cossi, M., Barone, V., (2001) J. Chem. Phys., 115, pp. 4708-4717

Marcus, R.A., (1963) J. Chem. Phys., 38, pp. 1335-1340

Frisch, M.J., (2009) Gaussian 09, Revision A.1, , Gaussian, Inc., Wallingford CT

Gustavsson, T., Banyasz, A., Lazzarotto, E., Markovitsi, D., Scalmani, G., Frisch, M.J., Barone, V., Improta, R., (2006) J. Am. Chem. Soc., 128, pp. 607-619

Middleton, C. T., De La Harpe, K., Su, C., Law, U. K., Crespo-Hern ndez, C. E., Kohler, B., (2009) Ann. Rev. Phys. Chem., 60, pp. 217-23

Kwok, W. M., Ma, C. S., Phillips, D. L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905

Schwalb, N. K., Temps, F., (2008) Science, 322, pp. 243-245

Stuhldreier, M. C., (2011) Ultrafast Phenomena XVII, pp. 553-555. , (Eds.: M. Chergui, D. M. Jonas, E. Riedle, R. W. Schoenlein, A. J. Taylor), Oxford University Press, Oxford

Nachtigallov, D., Zeleny, T., Ruckenbauer, M., Muller, T., Barbatti, M., Hobza, P., Lischka, H., (2010) J. Am. Chem. Soc., 132, pp. 8261-8263

Miannay, F. -A., Banyasz, A., Gustavsson, T., Markovitsi, D., (2007) J. Am. Chem. Soc., 129, p. 14574

Vay, I., Gustavsson, T., Douki, T., Berlin, Y., Markovitsi, D., (2012) J. Am. Chem. Soc., 134, pp. 11366-11368

Lange, A. W., Herbert, J. M., (2009) J. Am. Chem. Soc., 131, pp. 3913-3922

Olaso-Gonz lez, G., Merchan, M., Serrano-Andres, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377

Lu, Y., Lan, Z. G., Thiel, W., (2011) Angew. Chem., 123, pp. 6996-6999

Hassan, W. M. I., Chung, W. C., Shimakura, N., Koseki, S., Kono, H., Fujimura, Y., (2010) Phys. Chem. Chem. Phys., 12, pp. 5317-5328

Aquino, A. J. A., Nachtigallova, D., Hobza, P., Truhlar, D. G., Haettig, C., Lischka, H., (2011) J. Comput. Chem., 32, pp. 1217-1227

Kim, S. K., Nielsen, P. E., Egholm, M., Buchardt, O., Berg, R. H., Norden, B., (1993) J. Am. Chem. Soc., 115, pp. 6477-6481

Avila Ferrer, F. J., Improta, R., Santoro, F., Barone, V., (2011) Phys. Chem. Chem. Phys., 13, pp. 17007-17012

Marcus, R. A., (1963) J. Chem. Phys., 38, pp. 1335-1340

Frisch, M. J., (2009) Gaussian 09, Revision A. 1, , Gaussian, Inc., Wallingford CT



The singlet excited states of adenine oligomers, model systems widely used for the understanding of the interaction of ultraviolet radiation with DNA, are investigated by fluorescence spectroscopy and time-dependent (TD) DFT calculations. Fluorescence decays, fluorescence anisotropy decays, and time-resolved fluorescence spectra are recorded from the femtosecond to the nanosecond timescales for single strand (dA)20 in aqueous solution. These experimental observations and, in particular, the comparison of the fluorescence behavior upon UVC and UVA excitation allow the identification of various types of electronic transitions with different energy and polarization. Calculations performed for up to five stacked 9-methyladenines, taking into account the solvent, show that different excited states are responsible for the absorption in the UVC and UVA spectral domains. Independently of the number of bases, bright excitons may evolve toward two types of excited dimers having π-π* or charge-transfer character, each one distinguished by its own geometry and spectroscopic signature. According to the picture arising from the joint experimental and theoretical investigation, UVC-induced fluorescence contains contribution from 1) exciton states with a different degree of localization, decaying within a few ps, 2) "neutral" excited dimers decaying on the sub-nanosecond timescale, being the dominant species, and 3) charge-transfer states decaying on the nanosecond timescale. The majority of the photons emitted upon UVA excitation are related to charge-transfer states. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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13 Records (12 escludendo Abstract e Conferenze).
Impact factor totale: 67.169 (63.077 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 63.293 (58.756 escludendo Abstract e Conferenze).







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