Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (360 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 10.677, 5-year impact factor: 10.237
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84866393093&partnerID=40&md5=0255d42c875f831bb7ecc17c26cf58f6
Keywords: Charge-Transfer Excited State, Cycloadditions, Cyclobutanes, Dimer Formation, Electronic Excited State, Fluorescence Spectra, Gasphase, In-Line, Irradiation Wavelength, Monophosphates, Oxetanes, Polarizable Continuum Model, Theoretical Study, Time-Resolved Optical Spectroscopy, Uv Absorption, Charge Transfer, Continuum Mechanics, Dimerization, Mass Spectrometry, Plasma Theory, Quantum Yield, Electric Excitation, Cyclobutane Derivative, Dinucleoside Phosphate, Oxetane Derivative, Thymine, Water, Article, Calculation, Electron Transport, Fluorescence Spectroscopy, High Performance Liquid Chromatography, Steady State, Ultraviolet Spectroscopy, Cyclization, Nucleic Acid Conformation, Quantum Theory, Spectrophotometry, Ultraviolet Rays,
Affiliations:
*** IBB - CNR ***
CNRS, IRAMIS, URA 2453, 91191 Gif-sur-Yvette, France
CEA, INAC, Laboratoire Lésions des Acides Nucléiques, 17 Rue des Martyrs, F-38054 Grenoble Cedex 9, France
Istituto Biostrutture e Bioimmagini-CNR, Via Mezzocannone 16, I-80134 Napoli, Italy
Laboratoire de Chimie Physique, CNRS UMR 8000, Université Paris-Sud, F-91405 Orsay, France
References:
Ravanat, J.L., Douki, T., Cadet, J., (2001) J. Photochem. Photobiol., B, 63, pp. 88-10
Bosca, F., Lhiaubet-Vallet, V., Cuquerella, M.C., Castell, J.V., Miranda, M.A., (2006) J. Am. Chem. Soc., 128, pp. 6318-6319
Bouvier, B., Gustavsson, T., Markovitsi, D., Millié, P., (2002) Chem. Phys., 275, pp. 75-92
Buchvarov, I., Wang, Q., Raytchev, M., Trifonov, A., Fiebig, T., (2007) Proc. Natl. Acad. Sci. U.S.A., 104, pp. 4794-4797
Bittner, E.R., (2007) J. Photochem. Photobiol., A, 190, pp. 328-334
Burin, A.L., Dickman, J.A., Uskov, D.B., Hebbard, C.F.F., Schatz, G.C., (2008) J. Chem. Phys., 129, p. 091102
Starikov, E.B., Cuniberti, G., Tanaka, S., (2009) J. Phys. Chem. B, 113, pp. 10428-10435
Burin, A.L., Armbruster, M.E., Hariharan, M., Lewis, F.D., (2009) Proc. Natl. Acad. Sci. U.S.A., 106, pp. 989-994
Markovitsi, D., Onidas, D., Gustavsson, T., Talbot, F., Lazzarotto, E., (2005) J. Am. Chem. Soc., 127, pp. 17130-17131
Crespo-Hernández, C.E., Cohen, B., Kohler, B., (2005) Nature, 436, pp. 1141-1144
Markovitsi, D., Talbot, F., Gustavsson, T., Onidas, D., Lazzarotto, E., Marguet, S., (2006) Nature, 441, pp. E7
Santoro, F., Barone, V., Improta, R., (2009) J. Am. Chem. Soc., 131, pp. 15232-15245
Lange, A.W., Herbert, J.M., (2009) J. Am. Chem. Soc., 131, pp. 3913-3922
Kozak, C.R., Kistler, K.A., Lu, Z., Matsika, S., (2010) J. Phys. Chem. B, 114, pp. 1674-1683
Marguet, S., Markovitsi, D., (2005) J. Am. Chem. Soc., 127, pp. 5780-5781
Schreier, W.J., Schrader, T.B., Koller, F.O., Gilch, P., Crespo-Hernàdes, C., Swaminathan, V.N., Carell, T., Kohler, B., (2007) Science, 315, pp. 625-629
Schreier, W.J., Kubon, J., Regner, N., Haiser, K., Schrader, T.E., Zinth, W., Clivio, P., Gilch, P., (2009) J. Am. Chem. Soc., 131, pp. 5038-5039
Kwok, W.M., Ma, C., Phillips, D.L., (2008) J. Am. Chem. Soc., 130, pp. 5131-5139
Blancafort, L., Migani, A., (2007) J. Am. Chem. Soc., 129, pp. 14540-14541
Law, Y.K., Azadi, J., Crespo-Hernandez, C.E., Olmon, E., Kohler, B., (2008) Biophys. J., 94, pp. 3590-3600
McCullagh, M., Lewis, F., Markovitsi, D., Douki, T., Schatz, G.C., (2010) J. Phys. Chem. B, 114, pp. 5215-5221
Zhang, R.B., Eriksson, L.A., (2006) J. Phys. Chem. B, pp. 7556-7562
Climent, T., Gonzalez-Ramirez, I., Gonzalez-Luque, R., Merchan, M., Serrano-Andres, L., (2010) J. Phys. Chem. Lett., 1, pp. 2072-2076
Varghese, A.J., Wang, S.Y., (1967) Science, 156, p. 955
Clivio, P., Fourrey, J.-L., Gasche, J., (1991) J. Am. Chem. Soc., 113, pp. 5481-5483
Deering, R.A., Setlow, R.B., (1963) Biochem. Biophys. Acta, 68, pp. 526-534
Johns, H.E., Pearson, M.L., Leblanc, J.C., Helleiner, C.W., (1964) J. Mol. Biol., 9, pp. 503-524
Garcés, F., Dávila, C.A., (1982) Photochem. Photobiol., 35, pp. 9-16
Lemaire, D., Ruzsicska . B, P., (1993) Photochem. Photobiol., 57, pp. 755-769
Yang, Z.B., Zhang, R.B., Eriksson, L.A., (2011) Phys. Chem. Chem. Phys., 13, pp. 8961-8966
Banyasz, A., Vayá, I., Changenet-Barret, P., Gustavsson, T., Douki, T., Markovitsi, D., (2011) J. Am. Chem. Soc., 133, pp. 5163-5165
Markovitsi, D., Gustavsson, T., Banyasz, A., (2010) Mutat. Res., Rev. Mutat. Res., 704, pp. 21-28
Improta, R. To be submittedVelapoldi, R.A., Mielenz, K.D., (1980) A Fluorescence Standard Reference Material: Quinine Sulfate Dihydrate, , U.S. Government Printing Office: Washington, D.C
Onidas, D., Markovitsi, D., Marguet, S., Sharonov, A., Gustavsson, T., (2002) J. Phys. Chem. B, 106, pp. 11367-11374
Rahn, R.O., Sellin, H.G., (1979) Photochem. Photobiol., 30, pp. 317-318
Gustavsson, T., Sharonov, A., Onidas, D., Markovitsi, D., (2002) Chem. Phys. Lett., 356, pp. 49-54
Zhao, Y., Schultz, N.E., Truhlar, D.G., (2006) J. Chem. Theory Comput., 2, pp. 364-382
Zhao, Y., Truhlar, D.G., (2008) Acc. Chem. Res., 41, pp. 157-167
Improta, R., (2008) Phys. Chem. Chem. Phys., 10, pp. 2656-2664
Improta, R., Barone, V., (2012) Angew. Chem., Int. Ed., pp. 12016-12019
Adamo, C., Scuseria, G.E., Barone, V., (1999) J. Chem. Phys., 111, pp. 2889-2899
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev., 105, pp. 2999-3093
Cossi, M., Barone, V., (2001) J. Chem. Phys., 115, pp. 4708-4717
Scalmani, G., Frisch, M.J., Mennucci, B., Tomasi, J., Cammi, R., Barone, V., (2006) J. Chem. Phys., 124, p. 094107
Improta, R., Scalmani, G., Frisch, M.J., Barone, V., (2007) J. Chem. Phys., 127, p. 074504
Burghardt, I., Hynes, J.T., (2006) J. Phys. Chem. A, 110, pp. 11411-11423
Laage, D.B..I., Hynes, T.J., (2007) Continuum Solvation Models in Chemical Physics: Theory and Application, p. 429. , Cammi, R. Mennucci, B. Wiley-VCH: Weinheim
Toniolo, A., Olsen, S., Manohar, L., Martinez, T.J., (2004) Faraday Discuss., 127, pp. 149-63
Ferrer, F.J.A., Improta, R., Santoro, F., Barone, V., (2011) Phys. Chem. Chem. Phys., 13, pp. 17007-17012
Marcus, R.A., (1963) J. Chem. Phys., 38, p. 335
Tapavicza, E., Tavernelli, I., Rothlisberger, U., Filippi, C., Casida, M.E., (2008) J. Chem. Phys., 129, p. 124108
Frisch, M.J., (2009) Gaussian 09, , revision A.02
Gaussian Inc. Wallingford, CT
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Haiser, K., Fingerhut, B.P., Heil, K., Glas, A., Herzog, T.T., Pilles, B.M., Schreier, W.J., Carell, T., (2012) Angew. Chem., Int. Ed., 51, pp. 408-411
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West, B.A., Womick, J.M., Moran, A.M., (2011) J. Chem. Phys., 135, p. 114505
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Stuhldreier, M.C., Schüler, C., Kleber, J., Temps, F., (2011) Ultrafast Phenomena XVII, pp. 553-555. , Chergui, M. Jonas, D. Riedle, E. Schoenlein, R. W. Taylor, A. Oxford University Press: Cary, NC
Pan, Z.Z., Hariharan, M., Arkin, J.D., Jalolov, A.S., McCullagh, M., Schatz, G.C., Lewis, F.D., (2011) J. Am. Chem. Soc., 133, pp. 20793-20798
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Hare, P.M., Crespo-Hernández, C., Kohler, B., (2007) Proc. Natl. Acad. Sci. U.S.A., 104, pp. 435-440
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Domcke, W., Yarkony, Y.R., Köppel, H., (2011) CONICAL INTERSECTIONS Theory, Computation and Experiment, , Eds. World Scientific: Singapore
Ravanat, J. L., Douki, T., Cadet, J., (2001) J. Photochem. Photobiol., B, 63, pp. 88-10
Bittner, E. R., (2007) J. Photochem. Photobiol., A, 190, pp. 328-334
Burin, A. L., Dickman, J. A., Uskov, D. B., Hebbard, C. F. F., Schatz, G. C., (2008) J. Chem. Phys., 129, p. 091102
Starikov, E. B., Cuniberti, G., Tanaka, S., (2009) J. Phys. Chem. B, 113, pp. 10428-10435
Burin, A. L., Armbruster, M. E., Hariharan, M., Lewis, F. D., (2009) Proc. Natl. Acad. Sci. U. S. A., 106, pp. 989-994
Crespo-Hern ndez, C. E., Cohen, B., Kohler, B., (2005) Nature, 436, pp. 1141-1144
Lange, A. W., Herbert, J. M., (2009) J. Am. Chem. Soc., 131, pp. 3913-3922
Kozak, C. R., Kistler, K. A., Lu, Z., Matsika, S., (2010) J. Phys. Chem. B, 114, pp. 1674-1683
Schreier, W. J., Schrader, T. B., Koller, F. O., Gilch, P., Crespo-Hern des, C., Swaminathan, V. N., Carell, T., Kohler, B., (2007) Science, 315, pp. 625-629
Schreier, W. J., Kubon, J., Regner, N., Haiser, K., Schrader, T. E., Zinth, W., Clivio, P., Gilch, P., (2009) J. Am. Chem. Soc., 131, pp. 5038-5039
Kwok, W. M., Ma, C., Phillips, D. L., (2008) J. Am. Chem. Soc., 130, pp. 5131-5139
Law, Y. K., Azadi, J., Crespo-Hernandez, C. E., Olmon, E., Kohler, B., (2008) Biophys. J., 94, pp. 3590-3600
Zhang, R. B., Eriksson, L. A., (2006) J. Phys. Chem. B, pp. 7556-7562
Varghese, A. J., Wang, S. Y., (1967) Science, 156, p. 955
Deering, R. A., Setlow, R. B., (1963) Biochem. Biophys. Acta, 68, pp. 526-534
Johns, H. E., Pearson, M. L., Leblanc, J. C., Helleiner, C. W., (1964) J. Mol. Biol., 9, pp. 503-524
Garc s, F., D vila, C. A., (1982) Photochem. Photobiol., 35, pp. 9-16
Yang, Z. B., Zhang, R. B., Eriksson, L. A., (2011) Phys. Chem. Chem. Phys., 13, pp. 8961-8966
Banyasz, A., Vay, I., Changenet-Barret, P., Gustavsson, T., Douki, T., Markovitsi, D., (2011) J. Am. Chem. Soc., 133, pp. 5163-5165
Rahn, R. O., Sellin, H. G., (1979) Photochem. Photobiol., 30, pp. 317-318
Laage, D. B. I., Hynes, T. J., (2007) Continuum Solvation Models in Chemical Physics: Theory and Application, p. 429. , Cammi, R. Mennucci, B. Wiley-VCH: Weinheim
Ferrer, F. J. A., Improta, R., Santoro, F., Barone, V., (2011) Phys. Chem. Chem. Phys., 13, pp. 17007-17012
Marcus, R. A., (1963) J. Chem. Phys., 38, p. 335
Frisch, M. J., (2009) Gaussian 09, , revision A. 02
Levine, B. G., Ko, C., Quenneville, J., Martinez, T. J., (2006) Mol. Phys, 104, pp. 1039-1051
Gut, I. G., Wood, P. D., Redmond. R, W., (1996) J. Am. Chem. Soc., 118, pp. 2366-2373
Serrano-Perez, J. J., Gonzalez-Ramirez, I., Coto, P. B., Merchan, M., Serrano-Andres, L., (2008) J. Phys. Chem. B, 112, pp. 14096-14098
Middleton, C. T., Cohen, B., Kohler, B., (2007) J. Phys. Chem. A, 111, pp. 10460-10467
West, B. A., Womick, J. M., Moran, A. M., (2011) J. Chem. Phys., 135, p. 114505
Mills, J. B., Vacano, E., Hagerman, P. J., (1999) J. Mol. Biol., 285, pp. 245-257
Middleton, C. T., De La Harpe, K., Su, C., Law, U. K., Crespo-Hern ndez, C. E., Kohler, B., (2009) Annu. Rev. Phys. Chem., 60, pp. 217-239
Stuhldreier, M. C., Sch ler, C., Kleber, J., Temps, F., (2011) Ultrafast Phenomena XVII, pp. 553-555. , Chergui, M. Jonas, D. Riedle, E. Schoenlein, R. W. Taylor, A. Oxford University Press: Cary, NC
Pan, Z. Z., Hariharan, M., Arkin, J. D., Jalolov, A. S., McCullagh, M., Schatz, G. C., Lewis, F. D., (2011) J. Am. Chem. Soc., 133, pp. 20793-20798
Hare, P. M., Crespo-Hern ndez, C., Kohler, B., (2007) Proc. Natl. Acad. Sci. U. S. A., 104, pp. 435-440
Gurzadyan, G. G., Gorner, H., (1996) Photochem. Photobiol., 63, pp. 143-153
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 10.677, 5-year impact factor: 10.237
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84866393093&partnerID=40&md5=0255d42c875f831bb7ecc17c26cf58f6
Keywords: Charge-Transfer Excited State, Cycloadditions, Cyclobutanes, Dimer Formation, Electronic Excited State, Fluorescence Spectra, Gasphase, In-Line, Irradiation Wavelength, Monophosphates, Oxetanes, Polarizable Continuum Model, Theoretical Study, Time-Resolved Optical Spectroscopy, Uv Absorption, Charge Transfer, Continuum Mechanics, Dimerization, Mass Spectrometry, Plasma Theory, Quantum Yield, Electric Excitation, Cyclobutane Derivative, Dinucleoside Phosphate, Oxetane Derivative, Thymine, Water, Article, Calculation, Electron Transport, Fluorescence Spectroscopy, High Performance Liquid Chromatography, Steady State, Ultraviolet Spectroscopy, Cyclization, Nucleic Acid Conformation, Quantum Theory, Spectrophotometry, Ultraviolet Rays,
Affiliations:
*** IBB - CNR ***
CNRS, IRAMIS, URA 2453, 91191 Gif-sur-Yvette, France
CEA, INAC, Laboratoire Lésions des Acides Nucléiques, 17 Rue des Martyrs, F-38054 Grenoble Cedex 9, France
Istituto Biostrutture e Bioimmagini-CNR, Via Mezzocannone 16, I-80134 Napoli, Italy
Laboratoire de Chimie Physique, CNRS UMR 8000, Université Paris-Sud, F-91405 Orsay, France
References:
Ravanat, J.L., Douki, T., Cadet, J., (2001) J. Photochem. Photobiol., B, 63, pp. 88-10
Bosca, F., Lhiaubet-Vallet, V., Cuquerella, M.C., Castell, J.V., Miranda, M.A., (2006) J. Am. Chem. Soc., 128, pp. 6318-6319
Bouvier, B., Gustavsson, T., Markovitsi, D., Millié, P., (2002) Chem. Phys., 275, pp. 75-92
Buchvarov, I., Wang, Q., Raytchev, M., Trifonov, A., Fiebig, T., (2007) Proc. Natl. Acad. Sci. U.S.A., 104, pp. 4794-4797
Bittner, E.R., (2007) J. Photochem. Photobiol., A, 190, pp. 328-334
Burin, A.L., Dickman, J.A., Uskov, D.B., Hebbard, C.F.F., Schatz, G.C., (2008) J. Chem. Phys., 129, p. 091102
Starikov, E.B., Cuniberti, G., Tanaka, S., (2009) J. Phys. Chem. B, 113, pp. 10428-10435
Burin, A.L., Armbruster, M.E., Hariharan, M., Lewis, F.D., (2009) Proc. Natl. Acad. Sci. U.S.A., 106, pp. 989-994
Markovitsi, D., Onidas, D., Gustavsson, T., Talbot, F., Lazzarotto, E., (2005) J. Am. Chem. Soc., 127, pp. 17130-17131
Crespo-Hernández, C.E., Cohen, B., Kohler, B., (2005) Nature, 436, pp. 1141-1144
Markovitsi, D., Talbot, F., Gustavsson, T., Onidas, D., Lazzarotto, E., Marguet, S., (2006) Nature, 441, pp. E7
Santoro, F., Barone, V., Improta, R., (2009) J. Am. Chem. Soc., 131, pp. 15232-15245
Lange, A.W., Herbert, J.M., (2009) J. Am. Chem. Soc., 131, pp. 3913-3922
Kozak, C.R., Kistler, K.A., Lu, Z., Matsika, S., (2010) J. Phys. Chem. B, 114, pp. 1674-1683
Marguet, S., Markovitsi, D., (2005) J. Am. Chem. Soc., 127, pp. 5780-5781
Schreier, W.J., Schrader, T.B., Koller, F.O., Gilch, P., Crespo-Hernàdes, C., Swaminathan, V.N., Carell, T., Kohler, B., (2007) Science, 315, pp. 625-629
Schreier, W.J., Kubon, J., Regner, N., Haiser, K., Schrader, T.E., Zinth, W., Clivio, P., Gilch, P., (2009) J. Am. Chem. Soc., 131, pp. 5038-5039
Kwok, W.M., Ma, C., Phillips, D.L., (2008) J. Am. Chem. Soc., 130, pp. 5131-5139
Blancafort, L., Migani, A., (2007) J. Am. Chem. Soc., 129, pp. 14540-14541
Law, Y.K., Azadi, J., Crespo-Hernandez, C.E., Olmon, E., Kohler, B., (2008) Biophys. J., 94, pp. 3590-3600
McCullagh, M., Lewis, F., Markovitsi, D., Douki, T., Schatz, G.C., (2010) J. Phys. Chem. B, 114, pp. 5215-5221
Zhang, R.B., Eriksson, L.A., (2006) J. Phys. Chem. B, pp. 7556-7562
Climent, T., Gonzalez-Ramirez, I., Gonzalez-Luque, R., Merchan, M., Serrano-Andres, L., (2010) J. Phys. Chem. Lett., 1, pp. 2072-2076
Varghese, A.J., Wang, S.Y., (1967) Science, 156, p. 955
Clivio, P., Fourrey, J.-L., Gasche, J., (1991) J. Am. Chem. Soc., 113, pp. 5481-5483
Deering, R.A., Setlow, R.B., (1963) Biochem. Biophys. Acta, 68, pp. 526-534
Johns, H.E., Pearson, M.L., Leblanc, J.C., Helleiner, C.W., (1964) J. Mol. Biol., 9, pp. 503-524
Garcés, F., Dávila, C.A., (1982) Photochem. Photobiol., 35, pp. 9-16
Lemaire, D., Ruzsicska . B, P., (1993) Photochem. Photobiol., 57, pp. 755-769
Yang, Z.B., Zhang, R.B., Eriksson, L.A., (2011) Phys. Chem. Chem. Phys., 13, pp. 8961-8966
Banyasz, A., Vayá, I., Changenet-Barret, P., Gustavsson, T., Douki, T., Markovitsi, D., (2011) J. Am. Chem. Soc., 133, pp. 5163-5165
Markovitsi, D., Gustavsson, T., Banyasz, A., (2010) Mutat. Res., Rev. Mutat. Res., 704, pp. 21-28
Improta, R. To be submittedVelapoldi, R.A., Mielenz, K.D., (1980) A Fluorescence Standard Reference Material: Quinine Sulfate Dihydrate, , U.S. Government Printing Office: Washington, D.C
Onidas, D., Markovitsi, D., Marguet, S., Sharonov, A., Gustavsson, T., (2002) J. Phys. Chem. B, 106, pp. 11367-11374
Rahn, R.O., Sellin, H.G., (1979) Photochem. Photobiol., 30, pp. 317-318
Gustavsson, T., Sharonov, A., Onidas, D., Markovitsi, D., (2002) Chem. Phys. Lett., 356, pp. 49-54
Zhao, Y., Schultz, N.E., Truhlar, D.G., (2006) J. Chem. Theory Comput., 2, pp. 364-382
Zhao, Y., Truhlar, D.G., (2008) Acc. Chem. Res., 41, pp. 157-167
Improta, R., (2008) Phys. Chem. Chem. Phys., 10, pp. 2656-2664
Improta, R., Barone, V., (2012) Angew. Chem., Int. Ed., pp. 12016-12019
Adamo, C., Scuseria, G.E., Barone, V., (1999) J. Chem. Phys., 111, pp. 2889-2899
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev., 105, pp. 2999-3093
Cossi, M., Barone, V., (2001) J. Chem. Phys., 115, pp. 4708-4717
Scalmani, G., Frisch, M.J., Mennucci, B., Tomasi, J., Cammi, R., Barone, V., (2006) J. Chem. Phys., 124, p. 094107
Improta, R., Scalmani, G., Frisch, M.J., Barone, V., (2007) J. Chem. Phys., 127, p. 074504
Burghardt, I., Hynes, J.T., (2006) J. Phys. Chem. A, 110, pp. 11411-11423
Laage, D.B..I., Hynes, T.J., (2007) Continuum Solvation Models in Chemical Physics: Theory and Application, p. 429. , Cammi, R. Mennucci, B. Wiley-VCH: Weinheim
Toniolo, A., Olsen, S., Manohar, L., Martinez, T.J., (2004) Faraday Discuss., 127, pp. 149-63
Ferrer, F.J.A., Improta, R., Santoro, F., Barone, V., (2011) Phys. Chem. Chem. Phys., 13, pp. 17007-17012
Marcus, R.A., (1963) J. Chem. Phys., 38, p. 335
Tapavicza, E., Tavernelli, I., Rothlisberger, U., Filippi, C., Casida, M.E., (2008) J. Chem. Phys., 129, p. 124108
Frisch, M.J., (2009) Gaussian 09, , revision A.02
Gaussian Inc. Wallingford, CT
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Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study
The study addresses interconnected issues related to two major types of cycloadditions between adjacent thymines in DNA leading to cyclobutane dimers (T<>Ts) and (6-4) adducts. Experimental results are obtained for the single strand (dT)20 by steady-state and time-resolved optical spectroscopy, as well as by HPLC coupled to mass spectrometry. Calculations are carried out for the dinucleoside monophosphate in water using the TD-M052X method and including the polarizable continuum model; the reliability of TD-M052X is checked against CASPT2 calculations regarding the behavior of two stacked thymines in the gas phase. It is shown that irradiation at the main absorption band leads to cyclobutane dimers (T<>Ts) and (6-4) adducts via different electronic excited states. T<>Ts are formed via 1ππ* excitons; [2 + 2] dimerization proceeds along a barrierless path, in line with the constant quantum yield (0.05) with the irradiation wavelength, the contribution of the 3ππ* state to this reaction being less than 10%. The formation of oxetane, the reaction intermediate leading to (6-4) adducts, occurs via charge transfer excited states involving two stacked thymines, whose fingerprint is detected in the fluorescence spectra; it involves an energy barrier explaining the important decrease in the quantum yield of (6-4) adducts with the irradiation wavelength. © 2012 American Chemical Society.
The study addresses interconnected issues related to two major types of cycloadditions between adjacent thymines in DNA leading to cyclobutane dimers (T<>Ts) and (6-4) adducts. Experimental results are obtained for the single strand (dT)20 by steady-state and time-resolved optical spectroscopy, as well as by HPLC coupled to mass spectrometry. Calculations are carried out for the dinucleoside monophosphate in water using the TD-M052X method and including the polarizable continuum model; the reliability of TD-M052X is checked against CASPT2 calculations regarding the behavior of two stacked thymines in the gas phase. It is shown that irradiation at the main absorption band leads to cyclobutane dimers (T<>Ts) and (6-4) adducts via different electronic excited states. T<>Ts are formed via 1ππ* excitons; [2 + 2] dimerization proceeds along a barrierless path, in line with the constant quantum yield (0.05) with the irradiation wavelength, the contribution of the 3ππ* state to this reaction being less than 10%. The formation of oxetane, the reaction intermediate leading to (6-4) adducts, occurs via charge transfer excited states involving two stacked thymines, whose fingerprint is detected in the fluorescence spectra; it involves an energy barrier explaining the important decrease in the quantum yield of (6-4) adducts with the irradiation wavelength. © 2012 American Chemical Society.
Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study
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Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study
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* Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy (242 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2017 Jun 14; 139(23): 7780-7791.
Impact Factor: 14.357
View Export to BibTeX Export to EndNote
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 (363 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2014 Sep 6; 136(31): 10838-10841.
Impact Factor: 12.113
View Export to BibTeX Export to EndNote
Improta R
* Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex (345 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jun 23; 20(26): 8106-8115.
Impact Factor: 5.731
View Export to BibTeX Export to EndNote
Improta R
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J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Dec 13; 116(49): 14261-14274.
Impact Factor: 3.607
View Export to BibTeX Export to 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 (394 views)
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Impact Factor: 4.814
View Export to BibTeX Export to EndNote
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Impact Factor: 2.572
View Export to BibTeX Export to EndNote
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Impact Factor: 2.899
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7 Records (7 excluding Abstracts).
Total impact factor: 46.093 (46.093 excluding Abstracts).
Total 5 year impact factor: 45.371 (45.371 excluding Abstracts).
Total impact factor: 46.093 (46.093 excluding Abstracts).
Total 5 year impact factor: 45.371 (45.371 excluding Abstracts).
360 views. Last view on Saturday 14 January 2023, 17:14:52
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