Interplay between "neutral" and "charge-transfer" excimers rules the excited state decay in adenine-rich polynucleotides (141 visite)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2011 Dec 9; 50(50): 12016-12019.
Tipo di articolo: Journal Article,
Impact factor: 13.455, Impact factor a 5 anni: 13.195
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-83455176809&partnerID=40&md5=0e6ec017261cca41a79dba35a6dc8884
Parole chiave: Computational Chemistry, Dna, Excited States, Nucleobases, Oligonucleotides, Excimers, Excited-State Decay, Exciton State, Experimental Data, Number Of Species, Polynucleotides, Quantum Mechanical Levels, Spectral Feature, Charge Transfer, Nucleic Acids, Quantum Theory, Polyadenylic Acid, Article, Chemical Structure, Electron, Electron Transport, Human, Models, Molecular,
Affiliazioni:
*** IBB - CNR ***
CNR-Consiglio Nazionale Delle Ricerche, Istituto di Biostrutture Biommagini (IBB-CNR), Via Mezzocannone 16, 80136, Napoli, Italy
Scuola Normale Superiore, Piazza dei Cavalieri, 7, 56126 Pisa, Italy
Riferimenti:
Crespo-Hernández, C.E., Cohen, B., Hare, P.M., Kohler, B., (2004) Chem. Rev., 104, pp. 1977-202
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. 13-47
Kohler, B., (2010) J. Phys. Chem. Lett., 1, pp. 2047-2053
Markovitsi, D., Gustavsson, T., Vayá, I., (2010) J. Phys. Chem. Lett., 1, pp. 3271-3276
Schwalb, N.K., Temps, F., (2008) Science, 322, pp. 243-245
Vayá, I., Gustavsson, T., Miannay, F.A., Douki, T., Markovitsi, D., (2010) J. Am. Chem. Soc., 132, pp. 11834-11835
Markovitsi, D., Talbot, F., Gustavsson, T., Onidas, D., Lazzarotto, E., Marguet, S., (2006) Nature, 441, p. 7. , E
Buchvarov, I., Wang, Q., Raytchev, M., Trifonov, A., Fiebig, T., (2007) Proc. Natl. Acad. Sci. USA, 104, pp. 4794-4797
Tonzani, S., Schatz, G.C., (2008) J. Am. Chem. Soc., 130, pp. 7607-7612
Banyasz, A., Vayá, I., Changenet-Barret, P., Gustavsson, T., Douki, T., Markovitsi, D., (2011) J. Am. Chem. Soc., 133, pp. 5163-5165
Onidas, D., Gustavsson, T., Lazzarotto, E., Markovitsi, D., (2007) J. Phys. Chem. B, 111, pp. 9644-9650
Markovitsi, D., Onidas, D., Gustavsson, T., Talbot, F., Lazzarotto, E., (2005) J. Am. Chem. Soc., 127, pp. 17130-17131
Takaya, T., Su, C., De La Harpe, K., Crespo-Hernández, C.E., Kohler, B., (2008) Proc. Natl. Acad. Sci. USA, 105, pp. 10285-10290
M. C. Stuhldreier, Ultrafast Phenomena XVII, , (Eds.: M. Chergui, D. Jonas, E. Riedle, R. W. Schoenlein, A. Taylor), Oxford University Press, in press
Kwok, W.-M., Ma, C., Phillips, D.L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905
Olaso-González, G., Merchán, M., Serrano-Andrés, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377
Conti, I., Altoe, P., Stenta, M., Garavelli, M., Orlandi, G., (2010) Phys. Chem. Chem. Phys., 12, pp. 5016-5023
Santoro, F., Barone, V., Improta, R., (2009) J. Am. Chem. Soc., 131, pp. 15232-15245
Lu, Y., Lan, Z., Thiel, W., (2011) Angew. Chem., 123, pp. 6996-6999
(2011) Angew. Chem. Int. Ed., 50, pp. 6864-6867
Burke, K., Werschnik, J., Gross, E.K.U., (2005) J. Chem. Phys., 123, p. 062206
Zhao, Y., Truhlar, D.G., (2008) Acc. Chem. Res., 41, pp. 157-167
Yanai, T., Tew, D.P., Handy, N.C., (2004) Chem. Phys. Lett., 393, pp. 51-55
Adamo, C., Barone, V., (1999) J. Chem. Phys., 110, pp. 6158-6170
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev., 105, pp. 2999-3094
Improta, R., Frisch, M.J., Scalmani, G., Barone, V., (2007) J. Chem. Phys., 127, p. 074504
Conti, I., Garavelli, M., Orlandi, G., (2009) J. Am. Chem. Soc., 131, p. 16108
De La Harpe, K., Kohler, B., (2011) J. Phys. Chem. Lett., 2, pp. 133-138
Nachtigallová, D., Zeleny, T., Ruckenbauer, M., Muller, T., Barbatti, M., Hobza, P., Lischka, H., (2010) J. Am. Chem. Soc., 132, pp. 8261-8262
Improta, R., Santoro, F., Barone, V., Lami, A., (2009) J. Phys. Chem. A, 113, pp. 15346-15354
Crespo-Hern ndez, C. E., Cohen, B., Hare, P. M., Kohler, B., (2004) Chem. Rev., 104, pp. 1977-202
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. 13-47
Schwalb, N. K., Temps, F., (2008) Science, 322, pp. 243-245
Vay, I., Gustavsson, T., Miannay, F. A., Douki, T., Markovitsi, D., (2010) J. Am. Chem. Soc., 132, pp. 11834-11835
Banyasz, A., Vay, I., Changenet-Barret, P., Gustavsson, T., Douki, T., Markovitsi, D., (2011) J. Am. Chem. Soc., 133, pp. 5163-5165
Kwok, W. -M., Ma, C., Phillips, D. L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905
Olaso-Gonz lez, G., Merch n, M., Serrano-Andr s, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377
Yanai, T., Tew, D. P., Handy, N. C., (2004) Chem. Phys. Lett., 393, pp. 51-55
Nachtigallov, D., Zeleny, T., Ruckenbauer, M., Muller, T., Barbatti, M., Hobza, P., Lischka, H., (2010) J. Am. Chem. Soc., 132, pp. 8261-8262
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2011 Dec 9; 50(50): 12016-12019.
Tipo di articolo: Journal Article,
Impact factor: 13.455, Impact factor a 5 anni: 13.195
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-83455176809&partnerID=40&md5=0e6ec017261cca41a79dba35a6dc8884
Parole chiave: Computational Chemistry, Dna, Excited States, Nucleobases, Oligonucleotides, Excimers, Excited-State Decay, Exciton State, Experimental Data, Number Of Species, Polynucleotides, Quantum Mechanical Levels, Spectral Feature, Charge Transfer, Nucleic Acids, Quantum Theory, Polyadenylic Acid, Article, Chemical Structure, Electron, Electron Transport, Human, Models, Molecular,
Affiliazioni:
*** IBB - CNR ***
CNR-Consiglio Nazionale Delle Ricerche, Istituto di Biostrutture Biommagini (IBB-CNR), Via Mezzocannone 16, 80136, Napoli, Italy
Scuola Normale Superiore, Piazza dei Cavalieri, 7, 56126 Pisa, Italy
Riferimenti:
Crespo-Hernández, C.E., Cohen, B., Hare, P.M., Kohler, B., (2004) Chem. Rev., 104, pp. 1977-202
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. 13-47
Kohler, B., (2010) J. Phys. Chem. Lett., 1, pp. 2047-2053
Markovitsi, D., Gustavsson, T., Vayá, I., (2010) J. Phys. Chem. Lett., 1, pp. 3271-3276
Schwalb, N.K., Temps, F., (2008) Science, 322, pp. 243-245
Vayá, I., Gustavsson, T., Miannay, F.A., Douki, T., Markovitsi, D., (2010) J. Am. Chem. Soc., 132, pp. 11834-11835
Markovitsi, D., Talbot, F., Gustavsson, T., Onidas, D., Lazzarotto, E., Marguet, S., (2006) Nature, 441, p. 7. , E
Buchvarov, I., Wang, Q., Raytchev, M., Trifonov, A., Fiebig, T., (2007) Proc. Natl. Acad. Sci. USA, 104, pp. 4794-4797
Tonzani, S., Schatz, G.C., (2008) J. Am. Chem. Soc., 130, pp. 7607-7612
Banyasz, A., Vayá, I., Changenet-Barret, P., Gustavsson, T., Douki, T., Markovitsi, D., (2011) J. Am. Chem. Soc., 133, pp. 5163-5165
Onidas, D., Gustavsson, T., Lazzarotto, E., Markovitsi, D., (2007) J. Phys. Chem. B, 111, pp. 9644-9650
Markovitsi, D., Onidas, D., Gustavsson, T., Talbot, F., Lazzarotto, E., (2005) J. Am. Chem. Soc., 127, pp. 17130-17131
Takaya, T., Su, C., De La Harpe, K., Crespo-Hernández, C.E., Kohler, B., (2008) Proc. Natl. Acad. Sci. USA, 105, pp. 10285-10290
M. C. Stuhldreier, Ultrafast Phenomena XVII, , (Eds.: M. Chergui, D. Jonas, E. Riedle, R. W. Schoenlein, A. Taylor), Oxford University Press, in press
Kwok, W.-M., Ma, C., Phillips, D.L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905
Olaso-González, G., Merchán, M., Serrano-Andrés, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377
Conti, I., Altoe, P., Stenta, M., Garavelli, M., Orlandi, G., (2010) Phys. Chem. Chem. Phys., 12, pp. 5016-5023
Santoro, F., Barone, V., Improta, R., (2009) J. Am. Chem. Soc., 131, pp. 15232-15245
Lu, Y., Lan, Z., Thiel, W., (2011) Angew. Chem., 123, pp. 6996-6999
(2011) Angew. Chem. Int. Ed., 50, pp. 6864-6867
Burke, K., Werschnik, J., Gross, E.K.U., (2005) J. Chem. Phys., 123, p. 062206
Zhao, Y., Truhlar, D.G., (2008) Acc. Chem. Res., 41, pp. 157-167
Yanai, T., Tew, D.P., Handy, N.C., (2004) Chem. Phys. Lett., 393, pp. 51-55
Adamo, C., Barone, V., (1999) J. Chem. Phys., 110, pp. 6158-6170
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev., 105, pp. 2999-3094
Improta, R., Frisch, M.J., Scalmani, G., Barone, V., (2007) J. Chem. Phys., 127, p. 074504
Conti, I., Garavelli, M., Orlandi, G., (2009) J. Am. Chem. Soc., 131, p. 16108
De La Harpe, K., Kohler, B., (2011) J. Phys. Chem. Lett., 2, pp. 133-138
Nachtigallová, D., Zeleny, T., Ruckenbauer, M., Muller, T., Barbatti, M., Hobza, P., Lischka, H., (2010) J. Am. Chem. Soc., 132, pp. 8261-8262
Improta, R., Santoro, F., Barone, V., Lami, A., (2009) J. Phys. Chem. A, 113, pp. 15346-15354
Crespo-Hern ndez, C. E., Cohen, B., Hare, P. M., Kohler, B., (2004) Chem. Rev., 104, pp. 1977-202
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. 13-47
Schwalb, N. K., Temps, F., (2008) Science, 322, pp. 243-245
Vay, I., Gustavsson, T., Miannay, F. A., Douki, T., Markovitsi, D., (2010) J. Am. Chem. Soc., 132, pp. 11834-11835
Banyasz, A., Vay, I., Changenet-Barret, P., Gustavsson, T., Douki, T., Markovitsi, D., (2011) J. Am. Chem. Soc., 133, pp. 5163-5165
Kwok, W. -M., Ma, C., Phillips, D. L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905
Olaso-Gonz lez, G., Merch n, M., Serrano-Andr s, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377
Yanai, T., Tew, D. P., Handy, N. C., (2004) Chem. Phys. Lett., 393, pp. 51-55
Nachtigallov, D., Zeleny, T., Ruckenbauer, M., Muller, T., Barbatti, M., Hobza, P., Lischka, H., (2010) J. Am. Chem. Soc., 132, pp. 8261-8262
The excited states of (dA) 4 oligonucleotides (A=adenine), including the phosphoribose backbone, were studied in water at a fully quantum mechanical level, providing an atomistic description of the main decay paths and a comprehensive interpretation of the experimental data (see picture). After absorption to exciton states delocalized over multiple A bases, the behavior of the excited state is ruled by the interplay of a number of species responsible for different spectral features. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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| The optical properties of adenine cation in different oligonucleotides: a PCM/TD-DFT study. (dominio pubblico) (60 visite) |
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Picconi D, Barone V, Lami A, Santoro F, Improta R
* The Interplay between ππ*/nπ* excited states in gas-phase thymine: A quantum dynamical study (181 visite)
Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-7641electronic), 2011 Jul 11; 12(10): 1957-1968.
Impact Factor: 3.412
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 (205 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
Changenet-Barret P, Emanuele E, Gustavsson T, Improta R, Kotlyar AB, Markovitsi D, Vaya I, Zakrzewska K, Zikich D
* Optical properties of guanine nanowires: Experimental and theoretical study (183 visite)
J Phys Chem C (ISSN: 1932-7447), 2010 Sep 2; 114(34): 14339-14346.
Impact Factor: 4.524
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Improta R, Markovitsi D
DNA/RNA: Building blocks of life under UV irradiation (157 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2010 Jul 1; 1(13): 2025-2030.
Impact Factor: 6.687
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Santoro F, Barone V, Lami A
* Vibronic model for the quantum dynamical study of the competition between bright and charge-transfer excited states in single-strand polynucleotides: the adenine dimer case (159 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking), 2009 Dec 31; 113(52): 15346-15354.
Impact Factor: 2.899
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V
* PCM/TD-DFT study of the two lowest excited states of uracil derivatives in solution: The effect of the functional and of the cavity model (149 visite)
J Mol Struct Theochem (ISSN: 0166-1280), 2009 Nov 30; 914(1-3): 87-93.
Impact Factor: 1.216
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 (164 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 (183 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 (155 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
Mercier Y, Santoro F, Reguero M, Improta R
* The decay from the dark nπ* excited state in uracil: An integrated CASPT2/CASSCF and PCM/TD-DFT study in the gas phase and in water (195 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2008 Sep 4; 112(35): 10769-10772.
Impact Factor: 4.189
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V
* The excited states of adenine and thymine nucleoside and nucleotide in aqueous solution: A comparative study by time-dependent DFT calculations (151 visite)
Theor Chem Acc (ISSN: 1432-881x), 2008 Jul; 120(4-6): 491-497.
Impact Factor: 2.37
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Bányász A, Sarkar N, Markovitsi D, Improta R
* Assessing solvent effects on the singlet excited state lifetime of uracil derivatives: A femtosecond fluorescence upconversion study in alcohols and D2O (170 visite)
Chem Phys (ISSN: 0301-0104), 2008 Jun 23; 350(1-3): 186-192.
Impact Factor: 1.961
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Banyasz A, Sarkar N, Markovitsi D, Improta R
* Statin: New life for an old drug (209 visite)
Pharmacol Res Academic Press, 2008 Jun 23; 350(1-3): 1-2.
Impact Factor: 3.976
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Improta R
* Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case (186 visite)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic, 0192-8651linking), 2008 Apr 30; 29(6): 957-964.
Impact Factor: 3.39
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R
The Excited States Of Pi-Stacked 9-Methyl Adenine Oligomers: A Td-Dft Study In Aqueous Solution (115 visite)
Physical Chemistry Chemical Physics, 2008; 10: 2656-2664.
Impact Factor: 2.028
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Benzi C, Improta R
* Excited state properties of sizable molecules in solution: From structure to reactivity (169 visite)
Theor Chem Acc (ISSN: 1432-881x), 2007 May; 117(5-6): 1073-1084.
Impact Factor: 2.537
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Gustavsson T, Lami S, Barone V, Improta R
* Towards the understanding of the excited state dynamics of nucleic acids: Solvent and stacking effect on the photophysical behavior of nucleobases (155 visite)
Aip Conf Proc (ISSN: 0094-243x), 2007; 963(2): 631-634.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Gustavsson T, Improta R
* Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water (176 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.
Impact Factor: 7.696
Dettagli Esporta in BibTeX Esporta in EndNote
Zannetti A, Del Vecchio S, Carriero MV, Fonti R, Franco P, Botti G, D'Aiuto G, Stoppelli MP, Salvatore M
Coordinate up-regulation of Sp1 DNA-binding activity and urokinase receptor expression in breast carcinoma (274 visite)
Cancer Res (ISSN: 0008-5472, 1538-7445, 1538-7445electronic), 2000 Mar 15; 60(6): 1546-1551.
Impact Factor: 8.46
Dettagli Esporta in BibTeX Esporta in EndNote
De Napoli L, De Luca S, Di Fabio G, Messere A, Montesarchio D, Morelli G, Piccialli G, Tesauro D
A facile solid-phase strategy for the synthesis of oligonucleotide- tetraphenylporphyrin conjugates (189 visite)
European Journal Of Organic Chemistry (ISSN: 1434-193x), 2000; (6): 1013-1018.
Impact Factor: 2.15
Dettagli Esporta in BibTeX Esporta in EndNote
50 Records (50 escludendo Abstract e Conferenze).
Impact factor totale: 274.425 (274.425 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 289.532 (289.532 escludendo Abstract e Conferenze).
Impact factor totale: 274.425 (274.425 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 289.532 (289.532 escludendo Abstract e Conferenze).
Esporta in BibTeX Esporta in EndNote
Ultima modifica di Marco Comerci in data Thursday 19 March 2015, 16:43:14
141 visite. Ultima visita in data Sunday 22 March 2020, 4:58:34
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