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The excited electronic states of adenine-guanine stacked dimers in aqueous solution: A PCM/TD-DFT study (86 visite)

Santoro F, Barone V, Lami A, Improta R

Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2010; 12(19): 4934-4948.

Tipo di articolo: Journal Article,

Impact factor: 3.454

Impact factor a 5 anni: 3.859


Parole chiave: Adenine, Guanine, Water, Article, Chemistry, Dimerization, Quantum Theory,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-77951951282&partnerID=40&md5=58cacf41e0f9720b0b1625c8cbffafb2

The excited-state behavior in the Franck-Condon (FC) region of the d(ApG) and d(GpA) dinucleoside monophosphate (A = adenine, G = guanine) is investigated in aqueous solution by means of time-dependent Density Functional Calculations, including solvent effects by the Polarizable Continuum Model and using three different functionals, i.e. PBE0, M052X, and CAM-B3LYP. Our analysis, focussed mainly on the two stacked dimers formed by 9-methyl-adenine and 9-methyl-guanine in the same arrangement as in the B structure of DNA (AG and GA), provides absorption and ECD spectra in very good agreement with their experimental counterparts. The sequence dependence of the dinucleoside excited-state properties is fully reproduced and it is explained on the grounds of the different interactions among the nucleobases' frontier orbitals existing in AG and GA. Our calculations predict that the 9Me-G → 9Me-A charge transfer (CT) excited state is, at least, as stable as the lowest energy bright state of the dimers and that it is more stable than the intra-strand CT state in the (9Me-A)2 stacked dimer. On the other hand, in AG and GA the 9Me-G → 9Me-A CT state is significantly coupled to the dimer bright excited states and deviations from the decay rate predicted on the ground of the Marcus Theory are possible. © 2010 The Owner Societies.
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Istituto per i Processi Chimico-Fisici Del CNR, Area della Ricerca Del CNR, Via Moruzzi, 1, I-56124 Pisa, Italy

Scuola Normale Superiore di Pisa, P.zza dei Cavalieri 7, I-56126 Pisa, Italy

IBB-CNR, Via Mezzocannone 16, I-80134 Napoli, Italy

INSTM-Village, Università Federico II, Complesso Monte S. Angelo, via Cintia, I-80126 Napoli, Italy
Watson, J.D., Crick, F.H.C., (1953) Nature, 171, pp. 737-73

Meselson, F., Stahl, F.W., (1958) Proc. Natl. Acad. Sci. U. S. A., 44, pp. 671-682

Tinoco Jr., I., (1960) J. Am. Chem. Soc., 82, p. 4785

Rich, A., Tinoco Jr., I., (1960) J. Am. Chem. Soc., 82, pp. 6409-6411

Clark, L.B., Peschel, G.G., Tinoco Jr., I., (1965) J. Phys. Chem., 69, pp. 3615-3618

Warshaw, M.Y., Tinoco Jr., I., (1965) J. Mol. Biol., 13, pp. 54-77

Warshaw, M.Y., Bush, C.A., Tinoco Jr., I., (1965) Biochem. Biophys. Res. Commun., 18, pp. 633-688

Eisinger, J., Guéron, M., Shulman, R.G., Yamane, T., (1966) Proc. Natl. Acad. Sci. U. S. A., 55, p. 1015

Miller, D.L., Weinstock, M.A., (1994) J. Am. Acad. Dermatol., 30, p. 774

Kraemer, K.H., (1997) Proc. Natl. Acad. Sci. U. S. A., 94, p. 11

Matsumura, Y., Ananthaswamy, H.M., (2002) Front. Biosci., 7, pp. 765-83

Nordlund, T.M., (2007) Photochem. Photobiol., 83, pp. 625-636

Porathi, D., Cuniberti, G., Di Felice, R., (2004) Top. Curr. Chem., 237, pp. 183-227

Crespo-Hernández, C.E., Cohen, B., Hare, P.M., Kohler, B., (2004) Chem. Rev., 104, p. 1977

Middleton, C.T., De La Harpe, K., Su, C., Law, Y.K., Crespo-Hernadez, C.E., Kohler, B., (2009) Annu. Rev. Phys. Chem., 60, pp. 217-47

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

Markovitsi, D., Gustavsson, T., Talbot, F., (2007) Photochem. Photobiol. Sci., 6, p. 717

Onidas, D., Gustavsson, T., Lazzarotto, E., Markovitsi, D., (2007) J. Phys. Chem. B, 111, p. 9644

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

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

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

Miannay, F.-A., Banyasz, A., Gustavsson, T., Markovitsi, D., (2007) J. Am. Chem. Soc., 129, pp. 14574-14575

Schultz, T., Samoylova, E., Radloff, W., Hertel, I.V., Sobolewski, A.L., Domcke, W., (2004) Science, 306, pp. 1765-1768

Schwalb, N., Temps, F., (2007) J. Am. Chem. Soc., 129, pp. 9272-9273

Tonzani, S., Schatz, G.C., (2008) J. Am. Chem. Soc., 130, pp. 7607-7612

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

Bittner, E.R., (2006) J. Chem. Phys., 125, p. 094909

Starikov, E.B., (2003) Philos. Mag. Lett., 83, pp. 699-708

Starikov, E.B., Cuniberti, G., Tanaka, S., (2009) J. Phys. Chem. B, 113, pp. 10428-10435

Serrano-Andrés, L., Merchán, M., Borin, A.C., (2006) Proc. Natl. Acad. Sci. U. S. A., 103, p. 8691

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

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

Yamazaki, S., Domcke, W., (2008) J. Phys. Chem. A, 112, pp. 7090-7097

Shukla, M.K., Leszczynski, J., (2008) J. Phys. Chem. B, 112, pp. 5139-5152

Olaso-González, G., Merchán, M., Serrano-Andrés, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377

Santoro, F., Barone, V., Gustavsson, T., Improta, R., (2006) J. Am. Chem. Soc., 128, p. 16312

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

Improta, R., Barone, V., (2004) J. Am. Chem. Soc., 126, p. 14320

Mercier, Y., Santoro, F., Reguero, M., Improta, R., (2008) J. Phys. Chem. B, 112, pp. 10769-10772

Karunakaran, V., Kleinermanns, K., Improta, R., Kovalenko, S.A., (2009) J. Am. Chem. Soc., 131, pp. 5839-5850

Improta, R., Santoro, F., Barone, V., Lami, A., (2009) J. Phys. Chem. A, 113, p. 15346

(1995) Recent Advances in Density Functional Methods, Ed., , M. E. Casida and D. P. Chong, World Scientific, Singapore

Adamo, C., Barone, V., (1999) J. Chem. Phys., 110, p. 6158

Ernzerhof, M., Scuseria, G.E., (1999) J. Chem. Phys., 110, p. 5029

Adamo, C., Scuseria, G.E., Barone, V., (1999) J. Chem. Phys., 111, p. 2889

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, p. 364

Yanai, T., Tew, D.B., Handy, N.C., (2004) Chem. Phys. Lett., 393, p. 51

Tawada, Y., Tsuneda, T., Yanagisawa, S., Yanai, T., Hirao, K., (2004) J. Chem. Phys., 120, p. 8425

Miertu, S., Scrocco, E., Tomasi, J., (1981) Chem. Phys., 55, p. 117

Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev., 105, p. 2999

Improta, R., Benzi, C., Barone, V., (2001) J. Am. Chem. Soc., 123, p. 12568

Improta, R., Mele, F., Crescenzi, O., Benzi, C., Barone, V., (2002) J. Am. Chem. Soc., 124, p. 7857

Langella, E., Improta, R., Barone, V., (2002) J. Am. Chem. Soc., 124, p. 11531

Cossi, M., Rega, N., Scalmani, G., Barone, V., (2001) J. Chem. Phys., 114, p. 5691

Cossi, M., Barone, V., (2001) J. Chem. Phys., 115, p. 4708

Cammi, R., Corni, S., Mennucci, B., Tomasi, J., (2005) J. Chem. Phys., 122, p. 104513

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

Jalkanen, K.J., Degtyarenko, I.M., Nieminen, R.M., Cao, X., Nafie, L.A., Zhu, F., Barron, L.D., (2008) Theor. Chem. Acc., 119, pp. 191-210

Jalkanen, K.J., Nieminen, R.M., Frimand, K., Bohr, J., Bohr, H., Wade, R.C., Tajkhorshid, E., Suhai, S., (2001) Chem. Phys., 265, pp. 125-151

Han, W.-G., Jalkanen, K.J., Elstner, M., Suhai, S., (1998) J. Phys. Chem. B, 102, pp. 2587-2602

Holmén, A., Broo, A., Albinsson, B., Nordén, B., (1997) J. Am. Chem. Soc., 119, p. 12240

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

Damha, M.J., Ogilvie, K.K., (1988) Biochemistry, 27, pp. 6403-6416

Sussman, J.L., Barzilay, I., Keren-Zur, M., Lapidot, Y., (1973) Biochim. Biophys. Acta, Nucleic Acids Protein Synth., 308, p. 189

Lee, C.-H., Ezra, F.S., Kondo, N.S., Danyluk, S.S., Sarma, R.M., (1976) Biochemistry, 15, pp. 3627-3629

Vokáová, Z., Budínský, M., Rosenberg, I., Schneider, B., Poner, J., Sychrovský, V., (2009) J. Phys. Chem. B, 113, pp. 1182-1191

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

Santoro, F., Improta, R., Lami, A., Bloino, J., Barone, V., (2007) J. Chem. Phys., 126, p. 084509

Santoro, F., Lami, A., Improta, R., Barone, V., (2007) J. Chem. Phys., 126, p. 184102

Lin, N., Santoro, F., Zhao, X., Rizzo, A., Barone, V., (2008) J. Phys. Chem. A, 112, p. 12401

Lin, N., Luo, Y., Santoro, F., Zhao, X., Rizzo, A., (2008) Chem. Phys. Lett., 464, pp. 144-149

Nafie, L.A., (1996) Chem. Phys., 205, pp. 309-322

Vargek, M., Freedman, T.B., Lee, E., Nafie, L.A., (1998) Chem. Phys. Lett., 287, pp. 359-364

Nafie, L.A., (2008) Theor. Chem. Acc., 119, pp. 39-55

Rudolph, M., Autschbach, J., (2008) Chirality, 20, pp. 995-1008

Frisch, M.J., (2009) GAUSSIAN 09, Revision A.02, , Gaussian Inc., Wallingford CT

Li, X., Cai, Z., Sevilla, M.D., (2002) J. Phys. Chem. A, 106, pp. 1596-1603

Watson, J. D., Crick, F. H. C., (1953) Nature, 171, pp. 737-73

Clark, L. B., Peschel, G. G., Tinoco Jr., I., (1965) J. Phys. Chem., 69, pp. 3615-3618

Warshaw, M. Y., Tinoco Jr., I., (1965) J. Mol. Biol., 13, pp. 54-77

Warshaw, M. Y., Bush, C. A., Tinoco Jr., I., (1965) Biochem. Biophys. Res. Commun., 18, pp. 633-688

Eisinger, J., Gu ron, M., Shulman, R. G., Yamane, T., (1966) Proc. Natl. Acad. Sci. U. S. A., 55, p. 1015

Miller, D. L., Weinstock, M. A., (1994) J. Am. Acad. Dermatol., 30, p. 774

Kraemer, K. H., (1997) Proc. Natl. Acad. Sci. U. S. A., 94, p. 11

Nordlund, T. M., (2007) Photochem. Photobiol., 83, pp. 625-636

Crespo-Hern ndez, C. E., Cohen, B., Hare, P. M., Kohler, B., (2004) Chem. Rev., 104, p. 1977

Middleton, C. T., De La Harpe, K., Su, C., Law, Y. K., Crespo-Hernadez, C. E., Kohler, B., (2009) Annu. Rev. Phys. Chem., 60, pp. 217-47

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

Miannay, F. -A., Banyasz, A., Gustavsson, T., Markovitsi, D., (2007) J. Am. Chem. Soc., 129, pp. 14574-14575

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

Bittner, E. R., (2006) J. Chem. Phys., 125, p. 094909

Starikov, E. B., (2003) Philos. Mag. Lett., 83, pp. 699-708

Starikov, E. B., Cuniberti, G., Tanaka, S., (2009) J. Phys. Chem. B, 113, pp. 10428-10435

Serrano-Andr s, L., Merch n, M., Borin, A. C., (2006) Proc. Natl. Acad. Sci. U. S. A., 103, p. 8691

Shukla, M. K., Leszczynski, J., (2008) J. Phys. Chem. B, 112, pp. 5139-5152

Olaso-Gonz lez, G., Merch n, M., Serrano-Andr s, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377

(1995) Recent Advances in Density Functional Methods, Ed., , M. E. Casida and D. P. Chong, World Scientific, Singapore

Yanai, T., Tew, D. B., Handy, N. C., (2004) Chem. Phys. Lett., 393, p. 51

Jalkanen, K. J., Degtyarenko, I. M., Nieminen, R. M., Cao, X., Nafie, L. A., Zhu, F., Barron, L. D., (2008) Theor. Chem. Acc., 119, pp. 191-210

Jalkanen, K. J., Nieminen, R. M., Frimand, K., Bohr, J., Bohr, H., Wade, R. C., Tajkhorshid, E., Suhai, S., (2001) Chem. Phys., 265, pp. 125-151

Han, W. -G., Jalkanen, K. J., Elstner, M., Suhai, S., (1998) J. Phys. Chem. B, 102, pp. 2587-2602

Holm n, A., Broo, A., Albinsson, B., Nord n, B., (1997) J. Am. Chem. Soc., 119, p. 12240

Damha, M. J., Ogilvie, K. K., (1988) Biochemistry, 27, pp. 6403-6416

Sussman, J. L., Barzilay, I., Keren-Zur, M., Lapidot, Y., (1973) Biochim. Biophys. Acta, Nucleic Acids Protein Synth., 308, p. 189

Lee, C. -H., Ezra, F. S., Kondo, N. S., Danyluk, S. S., Sarma, R. M., (1976) Biochemistry, 15, pp. 3627-3629

Vok ov, Z., Bud nsk, M., Rosenberg, I., Schneider, B., Poner, J., Sychrovsk, V., (2009) J. Phys. Chem. B, 113, pp. 1182-1191

Nafie, L. A., (1996) Chem. Phys., 205, pp. 309-322

Nafie, L. A., (2008) Theor. Chem. Acc., 119, pp. 39-55

Frisch, M. J., (2009) GAUSSIAN 09, Revision A. 02, , Gaussian Inc., Wallingford CT

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Berisio R, Baram D, Keinan E
Isr J Chem (ISSN: 0021-2148), 2010 Jun; 50(1): 24-26.
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* PNA zipper as a dimerization tool: development of a bZip mimic (108 visite)
Pensato S, Renda M, Leccia F, Saviano M, D'Andrea LD, Pedone C, Pedone PV, Romanelli A
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2010 May; 93(5): 434-441.
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* Gadd45beta dimerization does not affect MKK7 binding (83 visite)
Tornatore L, Montil SM, Marasco D, Dathan N, Vitale RM, Benedetti E, Pedone C, Papa S, Franzoso G, Ruvo M
Adv Exp Med Biol (ISSN: 0065-2598, 0065-2598print), 2009; 611: 367-368.
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* Sterochemistry And Thermodynamics Of The Inclusion Of Aliphatic And Aromatic Anionic Guests In A Tetracationic Calix [4] Arene In Acidic And Neutral Aqueous Solutions (65 visite)
Sgarlata C, Bonaccorso C, Gulino FG, Zito V, Arena G, Sciotto D
New Journal Of Chemistry, 2009; 33: 991-991.
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* The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: A PCM/TD-DFT study (71 visite)
Improta R, Ferrante C, Bozio R, Barone V
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2009; 11(22): 4664-4673.
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* Structure and dimerization of the teleost transmembrane immunoglobulin region (108 visite)
Merlino A, Varriale S, Coscia MR, Mazzarella L, Oreste U
Journal Of Molecular Graphics & Modelling (ISSN: 1093-3263), 2008 Oct; 27(3): 401-407.
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* PNA zipper: inducing dimerization of the basic region of a bZip protein by a PNA duplex (63 visite)
Pensato S, Saviano M, Renda M, Leccia F, Pedone P, Pedone C, Romanelli A
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2008 Sep; 14(8): N/D-N/D.
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* CdO thin films: A study of their electronic structure by electron spin resonance spectroscopy (72 visite)
Gulino A, Tabbì G
Appl Surf Sci (ISSN: 0169-4332), 2005; 245(1-4): 322-327.
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* Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals (91 visite)
Improta R, Barone V
Chemical Reviews (ISSN: 0009-2665), 2004 Mar; 104(3): 1231-1253.
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* Understanding the role of stereoelectronic effects in determining collagen stability. 2. A quantum mechanical/molecular mechanical study of (Proline-Proline-Glycine)n polypeptides (85 visite)
Improta R, Mele F, Crescenzi O, Benzi C, Barone V
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jul 3; 124(26): 7857-7865.
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* Comparison of control of Listeria by nitric oxide redox chemistry from murine macrophages and no donors: Insights into listeriocidal activity of oxidative and nitrosative stress (97 visite)
Ogawa R, Pacelli R, Espey MG, Miranda KM, Friedman N, Kim SM, Cox G, Mitchell JB, Wink DA, Russo A
Free Radic Biol Med Free Radical Biology And Medicine (ISSN: 0891-5849, 0891-5849linking), 2001 Feb 1; 30(3): 268-276.
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Erratum: Solid state and solution conformation of 6-{4-[N-tert- butoxycarbonyl-N-(N'-ethyl)propanamide]imidazolyl}-6- deoxycyclomaltoheptaose: Evidence of self-inclusion of the boc group within the β-cyclodextrin cavity (European Journal of Organic Chemistry (2000) (1065-1076)) (102 visite)
Impellizzeri G, Pappalardo G, D'Alessandro F, Rizzarelli E, Saviano M, Iacovino R, Benedetti E, Pedone C
Eur J Org Chem (ISSN: 1434-193x), 2000; (12): 2345-2345.
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34 Records (31 escludendo Abstract e Conferenze).
Impact factor totale: 189.074 (182.111 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 226.821 (219.201 escludendo Abstract e Conferenze).

Interrogazione bibliografica effettuata: (([btitle] "Chemistry" OR [btitle] "Dimerization" OR [btitle] "Quantum Theory" OR [btitle] "electronic") AND NOT [id] = 8961)







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