Stabilization of mixed frenkel-charge transfer excitons extended across both strands of guanine-cytosine DNA duplexes(379 views) Huix-Rotllant M, Brazard J, Improta R, Burghardt I, Markovitsi D
CNRS, IRAMIS, LIDYL, Laboratoire Francis Perrin, URA 2453, Gif-sur-Yvette, France
Institut für Physikalische U. Theoretische Chemie, Goethe-Universität, Max-von-Laue-Strasse 7, Frankfurt am Main, Germany
Istituto Biostrutture e Bioimmagini- Consiglio Nazionale Delle Ricerche, Via Mezzocannone 16, Napoli, Italy
References: Banyasz, A., Douki, T., Improta, R., Gustavsson, T., Onidas, D., Vayá, I., Perron, M., Markovitsi, D., Electronic Excited States Responsible for Dimer Formation Upon UV Absorption Directly by Thymine Strands: Joint Experimental and Theoretical Study (2012) J. Am. Chem. Soc., 134, pp. 14834-1484
Esposito, L., Banyasz, A., Douki, T., Perron, M., Markovitsi, D., Improta, R., Effect of C5-Methylation of Cytosine on the Photoreactivity of DNA: A Joint Experimental and Computational Study of TCG Trinucleotides (2014) J. Am. Chem. Soc., 136, pp. 10838-10841
Sobolewski, A.L., Domcke, W., Hattig, C., Tautomeric Selectivity of the Excited-State Lifetime of Guanine/Cytosine Base Pairs: The Role of Electron-Driven Proton-Transfer Processes (2005) Proc. Natl. Acad. Sci. U.S.A., 102, pp. 17903-17906
Schwalb, N.K., Temps, F., Base Sequence and Higher-Order Structure Induce the Complex Excited-State Dynamics in DNA (2008) Science, 322, pp. 243-245
Kwok, W.M., Ma, C.S., Phillips, D.L., "Bright" and "dark" Excited States of an Alternating at Oligomer Characterized by Femtosecond Broadband Spectroscopy (2009) J. Phys. Chem. B, 113, pp. 11527-11534
Markovitsi, D., Gustavsson, T., Vayá, I., Fluorescence of DNA Duplexes: From Model Helices to Natural DNA (2010) J. Phys. Chem. Lett., 1, pp. 3271-3276
Kohler, B., Nonradiative Decay Mechanisms in DNA Model Systems (2010) J. Phys. Chem. Lett., 1, pp. 2047-2053
Plasser, F., Aquino, A., Lischka, H., Nachtigallová, D., Electronic Excitation Processes in Single-Strand and Double-Strand DNA: A Computational Approach (2015) Top. Curr. Chem., 356, pp. 1-38
Bucher, D.B., Schlueter, A., Carell, T., Zinth, W., Watson-Crick Base Pairing Controls Excited-State Decay in Natural DNA (2014) Angew. Chem., Int. Ed., 53, pp. 11366-11369
Fiebig, T., Exciting DNA (2009) J. Phys. Chem. B, 113, pp. 9348-9349
Santoro, F., Barone, V., Improta, R., 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 (2009) J. Am. Chem. Soc., 131, pp. 15232-15245
Olaso-Gonzalez, G., Merchan, M., Serrano-Andres, L., The Role of Adenine Excimers in the Photophysics of Oligonucleotides (2009) J. Am. Chem. Soc., 131, pp. 4368-4377
Conti, I., Altoe, P., Stenta, M., Garavelli, M., Orlandi, G., Adenine Deactivation in DNA Resolved at the CASPT2//CASSCF/AMBER Level (2010) Phys. Chem. Chem. Phys., 12, pp. 5016-5023
Improta, R., Barone, V., Interplay between "neutral" and "charge-Transfer" Excimers Rules the Excited State Decay in Adenine-Rich Polynucleotides (2012) Angew. Chem., Int. Ed., pp. 12016-12019
Lu, Y., Lan, Z., Thiel, W., Hydrogen Bonding Regulates the Monomeric Nonradiative Decay of Adenine in DNA Strands (2011) Angew. Chem., Int. Ed., 50, pp. 6864-6867
Brazard, J., Thazhathveetil, A., Vayá, I., Lewis, F., Gustavsson, T., Markovitsi, D., Electronic Excited States of Guanine-Cytosine Hairpins and Duplexes Studied by Fluorescence Spectroscopy (2013) Photochem. Photobiol. Sci., 12, pp. 1453-1459
Vayá, I., Miannay, F.A., Gustavsson, T., Markovitsi, D., High Energy Long-Lived Excited States in DNA Double Strands (2010) ChemPhysChem, 11, pp. 987-989
Segers-Nolten, G.M.J., Sijtsema, N.M., Otto, C., Evidence for Hoogsteen GC Base Pairs in the Proton-Induced Transition from Right-Handed to Left-Handed Poly(dG-dC)·Poly(dG-dC) (1997) Biochemistry, 36, pp. 13241-13247
Onidas, D., Markovitsi, D., Marguet, S., Sharonov, A., Gustavsson, T., Fluorescence Properties of DNA Nucleosides and Nucleotides: A Refined Steady-State and Femtosecond Investigation (2002) J. Phys. Chem. B, 106, pp. 11367-11374
Miannay, F.A., Banyasz, A., Gustavsson, T., Markovitsi, D., Ultrafast Excited State Deactivation and Energy Transfer in Guanine-Cytosine DNA Double Helices (2007) J. Am. Chem. Soc., 129, pp. 14574-14575
Changenet-Barret, P., Hua, Y., Markovitsi, D., Electronic Excitations in Guanine Quadruplexes (2015) Top. Curr. Chem., 356, pp. 183-202
Zhao, Y., Truhlar, D.G., Density Functionals with Broad Applicability in Chemistry (2008) Acc. Chem. Res., 41, pp. 157-167
Tomasi, J., Mennucci, B., Cammi, R., Quantum Mechanical Continuum Solvation Models (2005) Chem. Rev., 105, pp. 2999-3093
(2012), http://www.turbomole.com, Turbomole. University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, versionLu, X.J., Olson, W.K., (2003) Nucleic Acids Res., 31, pp. 5108-5121
Emanuele, E., Zakrzewska, K., Markovitsi, D., Lavery, R., Millie, P., Exciton States of Dynamic DNA Double Helices: Alternating dCdG Sequences (2005) J. Phys. Chem. B, 109, pp. 16109-16118
Schirmer, J., Beyond the Random-Phase Approximation - A New Approximation Scheme for the Polarization Propagator (1982) Phys. Rev. A, 26, pp. 2395-2416
Hättig, C., (2005) Adv. Quantum Chem., 50, pp. 37-60
Plasser, F., Lischka, H., Analysis of Excitonic and Charge Transfer Interactions from Quantum Chemical Calculations (2012) J. Chem. Theory Comput., 8, pp. 2777-2789
Bouvier, B., Gustavsson, T., Markovitsi, D., Millié, P., Dipolar Coupling between Electronic Transitions of the DNA Bases and Its Relevance to Exciton States in Double Helices (2002) Chem. Phys., 275, pp. 75-92
Bouvier, B., Dognon, J.P., Lavery, R., Markovitsi, D., Millié, P., Onidas, D., Zakrzewska, K., Influence of Conformational Dynamics on the Exciton States of DNA Oligomers (2003) J. Phys. Chem. B, 107, pp. 13512-13522
Bittner, E.R., Frenkel Exciton Model of Ultrafast Excited State Dynamics in at DNA Double Helices (2007) J. Photochem. Photobiol. A: Chem., 190, pp. 328-334
Burin, A.L., Dickman, J.A., Uskov, D.B., Hebbard, C.F.F., Schatz, G.C., Optical Absorption Spectra and Monomer Interaction in Polymers: Investigation of Exciton Coupling in DNA Hairpins (2008) J. Chem. Phys., 129, p. 091102
Starikov, E.B., Cuniberti, G., Tanaka, S., Conformation Dependence of DNA Exciton Parentage (2009) J. Phys. Chem. B, 113, pp. 10428-10435
Voityuk, A.A., Effects of Dynamic Disorder on Exciton Delocalization and Photoinduced Charge Separation in DNA (2013) Photochem. Photobiol. Sci., 12, pp. 1303-1309
Spata, V.A., Matsika, S., Bonded Excimer Formation in π-Stacked 9-Methyladenine Dimers (2013) J. Phys. Chem. A, 117, pp. 8718-8728
Vayá, I., Gustavsson, T., Douki, T., Berlin, Y., Markovitsi, D., Electronic Excitation Energy Transfer between Nucleobases of Natural DNA (2012) J. Am. Chem. Soc., 134, pp. 11366-11368
Scholes, G.D., Rumbles, G., Excitons in Nanoscale Systems (Vol 5, Pg 683, 2006) (2006) Nat. Mater., 5, pp. 920-920
Romero, E., Augulis, R., Novoderezhkin, V.I., Ferretti, M., Thieme, J., Zigmantas, D., Van Grondelle, R., Quantum Coherence in Photosynthesis for Efficient Solar-Energy Conversion (2014) Nat. Phys., 10, pp. 677-683
Wahadoszamen, M., Margalit, I., Ara, A.M., Van Grondelle, R., Noy, D., The Role of Charge-Transfer States in Energy Transfer and Dissipation within Natural and Artificial Bacteriochlorophyll Proteins (2014) Nat. Commun., 5, p. 5287