Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case (243 views visite)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic, 0192-8651linking), 2008 Apr 30; 29(6): 957-964.
Export to Esporta in BibTeX Export to Esporta in EndNote
Paper type Tipo di articolo: Journal Article, Comparative Study,
Impact factor: 3.39, 5-year impact factor Impact factor a 5 anni: 5.364
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-41549147727&partnerID=40&md5=23d21a3e3af53f7b66043cf8b5bb06c1
Keywords Parole chiave: Cytosine, Excited States, Nucleic Acids, Stacking, Time-Dependent Density Functional Theory, Charge Transfer, Cytosine Dimers, Stacked Nucleobases, Polymer, Article, Chemical Model, Chemical Structure, Chemistry, Comparative Study, Dimerization, Quantum Theory, Molecular,
Affiliations Affiliazioni:
*** IBB - CNR ***
Istituto per i Processi Chimico-Fisici, CNR, Area della Ricerca del CNR, Via Moruzzi, 1, I-56124 Pisa, Italy
Dipartimento di Chimica, Università Federico II, Complesso Universitario Monte S. Angelo, Via Cintia, I-80126 Napoli, Italy
Istituto di Biostrutture e Bioimmagini, CNR, Via Mezzocannone 6, I-80134 Napoli, Italy
References Riferimenti:
Hobza, P., Selzle, H.L., Schlag, E.W., (1994) Chem Rev, 94, p. 176
Meyer, E.A., Castellano, R.K., Diederich, F., (2003) Angew Chem Int Ed, 42, p. 1210
McGaughey, G.B., Gagne, M., Rappe, A.K., (1998) J Biol Chem, 273, p. 15458
Muller-Dethlefs, K., Hobza, P., (2000) Chem Rev, 100, p. 143
Kim, K.S., Tarakeshwar, P., Lee, J.Y., (2000) Chem Rev, 100, p. 4145
Hobza, P., Sponer, J., (1999) Chem Rev, 99, p. 3247
Yakovchuk, P., Protozanova, E., Frank-Kamenetskii, M.D., (2006) Nucleic Acids Res, 34, p. 564
Luo, R., Gilson, H.S., Potter, M.J., Gilson, M.K., (2001) Biophys J, 80, p. 140
(1996) J-Aggregates, , Kobayashi, T, Ed, World Scientific: Singapore
Crespo-Hernandez, C.E., Cohen, B., Kohler, B., (2005) Nature, 436, p. 1141
Tretiak, S., Mukamel, S., (2002) Chem Rev, 102, p. 3171
Akins, D.L., Ozcelik, S., Zhu, H.R., Guo, C., (1996) J Phys Chem, 100, p. 14390
Ohno, O., Kaizu, Y., Kobayashi, H., (1993) J Chem Phys, 99, p. 4128
Chen, P., Tomov, I.V., Dvovnikov, A.S., Nakashima, M., Roach, J.F., Alabram, D.M., Rentzepis, P.M., (1996) J Phys Chem, 100, p. 17507
Rebane, A. J Opt Soc Am B 2003, 20, 321(1995) Recent Advances in Density Functional Methods, 1. , Casida, M. E, Chong, D. P, Eds, World Scientific
Dreuw, A., Head-Gordon, M., (2005) Chem Rev, 105, p. 4009
Wanko, M., Garavelli, M., Bernardi, F., Niehaus, T.A., Frauenheim, T., Elstner, M., (2004) J Chem Phys, 120, p. 1674
Dreuw, A., Weisman, J.L., HeadGordon, M., (2003) J Chem Phys, 119, p. 2943
Tozer, D.J., Amos, R.D., Handy, N.C., Roos, B.O., Serrano-Andres, L., (1999) Mol Phys, 97, p. 859
Santoro, F., Barone, V., Improta, R., (2007) Proc Nat Acad Sci USA, 104, p. 9931
Scalmani, G., Frisch, M.J., Mennucci, B., Tomasi, J., Cammi, R., Barone, V., (2006) J Chem Phys, 124, p. 094107
Improta, R., Barone, V., Santoro, F., (2007) Angew Chem Int Ed, 46, p. 405
Santoro, F., Improta, R., Lami, A., Bloino, J., Barone, V., (2007) J Chem Phys, 126, p. 084509
J Chem Phys 2007, 126, 169903 (erratum)
Santoro, F., Lami, A., Improta, R., Barone, V., (2007) J Chem Phys, 126, p. 184102
Rocha-Rinza, T., De Vico, L., Veryazov, V., Roos, B.O., (2006) Chem Phys Lett, 426, p. 268
Olaso-Gonzalez, G., Roca-Sanjuan, D., Serrano-Andrés, L., Merchán, M., (2006) J Chem Phys, 125, p. 231102
Boys, S.F., Bernardi, F., (1970) Mol Phys, 19, p. 553
Perdew, J.P., Burke, K., Ernzerhof, M., (1996) Phys Rev Lett, 77, p. 3865
Becke, A.D., (1993) J Chem Phys, 98, p. 5648
Adamo, C., Barone, V., (1999) J Chem Phys, 110, p. 6158
Enzerhof, M., Scuseria, G.E., (1999) J Chem Phys, 110, p. 5029
Vydrov, O.A., Scuseria, G.E., (2006) J Chem Phys, 125, p. 234109
Yanai, T., Tew, D.P., 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
Truhlar, D. G. J Chem Theory Comput 2006, 2, 364Adamo, C., Scuseria, G.E., Barone, V., (2000) J Chem Phys, 111, p. 2889
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
Frisch, M. J, Tracks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Vreven, T. Jr, Scalmani, G, Kudin, K. N, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Li, X, Hratchian, H. P, Peralta, J. E, Izmaylov, A. E
Heyd, J. J, Brothers, E, Staroverov, V, Zheng, G, Kobayashi, R, Normand, J, Burant, J. C, Millam, J. M, Klene, M, Knox, J. E, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, CiMerchan, M., Serrano-Andrés, L., (2003) J Am Chem Soc, 125, p. 8108
Kistler, K.A., Matsika, S., (2007) J Phys Chem A, 111, p. 2650
Ismail, N., Blancafort, L., Olivucci, M., Kohler, B., Robb, M., (2002) J Am Chem Soc, 124, p. 6818
Sobolewski, A.L., Domcke, W., (2004) Phys Chem Chem Phys, 6, p. 2763
Tomic, K., Jörg, T., Marian, C.M., (2005) J Phys Chem A, 109, p. 8410
Fuelscher, M.P., Roos, B.O., (1995) J Am Chem Soc, 117, p. 2089
Kamiya, M., Tsuneda, T., Hirao, K., (2002) J Chem Phys, 117, p. 6010
Hirao, K. J ChemPhys 1999, 110, 10664Wu, X., Vargas, M.C., Nayak, S., Lotrich, V., Scoles, G., (2001) J Chem Phys, 115, p. 8748
Weber, J. J Phys Chem A 1997, 101, 7818Zhang, Y
Yang, W. J Chem Phys 1997, 107, 7921Lacks, D.J., Gordon, R.G., (1993) Phys Rev A, 47, p. 4681
Levy, M., Perdew, J.P., (1993) Phys Rev B, 48, p. 11638
Lieb, E.H., Oxford, S., (1981) Int J Quantum Chem, 19, p. 427
Cai, Z.L., Crossley, M.J., Reimers, J.R., Kobayashi, R., Amos, R.D., (2006) J Phys Chem B, 110, p. 15624
Peach, M.J.G., Helgaker, T., Salek, P., Keal, T.W., Lutnaes, O.B., Tozer, D.J., Handy, N.C., (2006) Phys Chem Chem Phys, 8, p. 558
Zheng, J.J., Zhao, Y., Truhlar, D.G., (2007) J Phys Chem A, 111, p. 4632
Meyer, E. A., Castellano, R. K., Diederich, F., (2003) Angew Chem Int Ed, 42, p. 1210
McGaughey, G. B., Gagne, M., Rappe, A. K., (1998) J Biol Chem, 273, p. 15458
Kim, K. S., Tarakeshwar, P., Lee, J. Y., (2000) Chem Rev, 100, p. 4145
Luo, R., Gilson, H. S., Potter, M. J., Gilson, M. K., (2001) Biophys J, 80, p. 140
(1996) J-Aggregates, , Kobayashi, T, Ed, World Scientific: Singapore
Akins, D. L., Ozcelik, S., Zhu, H. R., Guo, C., (1996) J Phys Chem, 100, p. 14390
Chen, P., Tomov, I. V., Dvovnikov, A. S., Nakashima, M., Roach, J. F., Alabram, D. M., Rentzepis, P. M., (1996) J Phys Chem, 100, p. 17507
Tozer, D. J., Amos, R. D., Handy, N. C., Roos, B. O., Serrano-Andres, L., (1999) Mol Phys, 97, p. 859
Boys, S. F., Bernardi, F., (1970) Mol Phys, 19, p. 553
Perdew, J. P., Burke, K., Ernzerhof, M., (1996) Phys Rev Lett, 77, p. 3865
Becke, A. D., (1993) J Chem Phys, 98, p. 5648
Vydrov, O. A., Scuseria, G. E., (2006) J Chem Phys, 125, p. 234109
Yanai, T., Tew, D. P., Handy, N. C., (2004) Chem Phys Lett, 393, p. 51
Kistler, K. A., Matsika, S., (2007) J Phys Chem A, 111, p. 2650
Sobolewski, A. L., Domcke, W., (2004) Phys Chem Chem Phys, 6, p. 2763
Tomic, K., J rg, T., Marian, C. M., (2005) J Phys Chem A, 109, p. 8410
Fuelscher, M. P., Roos, B. O., (1995) J Am Chem Soc, 117, p. 2089
Lieb, E. H., Oxford, S., (1981) Int J Quantum Chem, 19, p. 427
Cai, Z. L., Crossley, M. J., Reimers, J. R., Kobayashi, R., Amos, R. D., (2006) J Phys Chem B, 110, p. 15624
Peach, M. J. G., Helgaker, T., Salek, P., Keal, T. W., Lutnaes, O. B., Tozer, D. J., Handy, N. C., (2006) Phys Chem Chem Phys, 8, p. 558
Zheng, J. J., Zhao, Y., Truhlar, D. G., (2007) J Phys Chem A, 111, p. 4632
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic, 0192-8651linking), 2008 Apr 30; 29(6): 957-964.
Export to Esporta in BibTeX Export to Esporta in EndNote
Paper type Tipo di articolo: Journal Article, Comparative Study,
Impact factor: 3.39, 5-year impact factor Impact factor a 5 anni: 5.364
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-41549147727&partnerID=40&md5=23d21a3e3af53f7b66043cf8b5bb06c1
Keywords Parole chiave: Cytosine, Excited States, Nucleic Acids, Stacking, Time-Dependent Density Functional Theory, Charge Transfer, Cytosine Dimers, Stacked Nucleobases, Polymer, Article, Chemical Model, Chemical Structure, Chemistry, Comparative Study, Dimerization, Quantum Theory, Molecular,
Affiliations Affiliazioni:
*** IBB - CNR ***
Istituto per i Processi Chimico-Fisici, CNR, Area della Ricerca del CNR, Via Moruzzi, 1, I-56124 Pisa, Italy
Dipartimento di Chimica, Università Federico II, Complesso Universitario Monte S. Angelo, Via Cintia, I-80126 Napoli, Italy
Istituto di Biostrutture e Bioimmagini, CNR, Via Mezzocannone 6, I-80134 Napoli, Italy
References Riferimenti:
Hobza, P., Selzle, H.L., Schlag, E.W., (1994) Chem Rev, 94, p. 176
Meyer, E.A., Castellano, R.K., Diederich, F., (2003) Angew Chem Int Ed, 42, p. 1210
McGaughey, G.B., Gagne, M., Rappe, A.K., (1998) J Biol Chem, 273, p. 15458
Muller-Dethlefs, K., Hobza, P., (2000) Chem Rev, 100, p. 143
Kim, K.S., Tarakeshwar, P., Lee, J.Y., (2000) Chem Rev, 100, p. 4145
Hobza, P., Sponer, J., (1999) Chem Rev, 99, p. 3247
Yakovchuk, P., Protozanova, E., Frank-Kamenetskii, M.D., (2006) Nucleic Acids Res, 34, p. 564
Luo, R., Gilson, H.S., Potter, M.J., Gilson, M.K., (2001) Biophys J, 80, p. 140
(1996) J-Aggregates, , Kobayashi, T, Ed, World Scientific: Singapore
Crespo-Hernandez, C.E., Cohen, B., Kohler, B., (2005) Nature, 436, p. 1141
Tretiak, S., Mukamel, S., (2002) Chem Rev, 102, p. 3171
Akins, D.L., Ozcelik, S., Zhu, H.R., Guo, C., (1996) J Phys Chem, 100, p. 14390
Ohno, O., Kaizu, Y., Kobayashi, H., (1993) J Chem Phys, 99, p. 4128
Chen, P., Tomov, I.V., Dvovnikov, A.S., Nakashima, M., Roach, J.F., Alabram, D.M., Rentzepis, P.M., (1996) J Phys Chem, 100, p. 17507
Rebane, A. J Opt Soc Am B 2003, 20, 321(1995) Recent Advances in Density Functional Methods, 1. , Casida, M. E, Chong, D. P, Eds, World Scientific
Dreuw, A., Head-Gordon, M., (2005) Chem Rev, 105, p. 4009
Wanko, M., Garavelli, M., Bernardi, F., Niehaus, T.A., Frauenheim, T., Elstner, M., (2004) J Chem Phys, 120, p. 1674
Dreuw, A., Weisman, J.L., HeadGordon, M., (2003) J Chem Phys, 119, p. 2943
Tozer, D.J., Amos, R.D., Handy, N.C., Roos, B.O., Serrano-Andres, L., (1999) Mol Phys, 97, p. 859
Santoro, F., Barone, V., Improta, R., (2007) Proc Nat Acad Sci USA, 104, p. 9931
Scalmani, G., Frisch, M.J., Mennucci, B., Tomasi, J., Cammi, R., Barone, V., (2006) J Chem Phys, 124, p. 094107
Improta, R., Barone, V., Santoro, F., (2007) Angew Chem Int Ed, 46, p. 405
Santoro, F., Improta, R., Lami, A., Bloino, J., Barone, V., (2007) J Chem Phys, 126, p. 084509
J Chem Phys 2007, 126, 169903 (erratum)
Santoro, F., Lami, A., Improta, R., Barone, V., (2007) J Chem Phys, 126, p. 184102
Rocha-Rinza, T., De Vico, L., Veryazov, V., Roos, B.O., (2006) Chem Phys Lett, 426, p. 268
Olaso-Gonzalez, G., Roca-Sanjuan, D., Serrano-Andrés, L., Merchán, M., (2006) J Chem Phys, 125, p. 231102
Boys, S.F., Bernardi, F., (1970) Mol Phys, 19, p. 553
Perdew, J.P., Burke, K., Ernzerhof, M., (1996) Phys Rev Lett, 77, p. 3865
Becke, A.D., (1993) J Chem Phys, 98, p. 5648
Adamo, C., Barone, V., (1999) J Chem Phys, 110, p. 6158
Enzerhof, M., Scuseria, G.E., (1999) J Chem Phys, 110, p. 5029
Vydrov, O.A., Scuseria, G.E., (2006) J Chem Phys, 125, p. 234109
Yanai, T., Tew, D.P., 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
Truhlar, D. G. J Chem Theory Comput 2006, 2, 364Adamo, C., Scuseria, G.E., Barone, V., (2000) J Chem Phys, 111, p. 2889
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
Frisch, M. J, Tracks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Vreven, T. Jr, Scalmani, G, Kudin, K. N, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Li, X, Hratchian, H. P, Peralta, J. E, Izmaylov, A. E
Heyd, J. J, Brothers, E, Staroverov, V, Zheng, G, Kobayashi, R, Normand, J, Burant, J. C, Millam, J. M, Klene, M, Knox, J. E, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, CiMerchan, M., Serrano-Andrés, L., (2003) J Am Chem Soc, 125, p. 8108
Kistler, K.A., Matsika, S., (2007) J Phys Chem A, 111, p. 2650
Ismail, N., Blancafort, L., Olivucci, M., Kohler, B., Robb, M., (2002) J Am Chem Soc, 124, p. 6818
Sobolewski, A.L., Domcke, W., (2004) Phys Chem Chem Phys, 6, p. 2763
Tomic, K., Jörg, T., Marian, C.M., (2005) J Phys Chem A, 109, p. 8410
Fuelscher, M.P., Roos, B.O., (1995) J Am Chem Soc, 117, p. 2089
Kamiya, M., Tsuneda, T., Hirao, K., (2002) J Chem Phys, 117, p. 6010
Hirao, K. J ChemPhys 1999, 110, 10664Wu, X., Vargas, M.C., Nayak, S., Lotrich, V., Scoles, G., (2001) J Chem Phys, 115, p. 8748
Weber, J. J Phys Chem A 1997, 101, 7818Zhang, Y
Yang, W. J Chem Phys 1997, 107, 7921Lacks, D.J., Gordon, R.G., (1993) Phys Rev A, 47, p. 4681
Levy, M., Perdew, J.P., (1993) Phys Rev B, 48, p. 11638
Lieb, E.H., Oxford, S., (1981) Int J Quantum Chem, 19, p. 427
Cai, Z.L., Crossley, M.J., Reimers, J.R., Kobayashi, R., Amos, R.D., (2006) J Phys Chem B, 110, p. 15624
Peach, M.J.G., Helgaker, T., Salek, P., Keal, T.W., Lutnaes, O.B., Tozer, D.J., Handy, N.C., (2006) Phys Chem Chem Phys, 8, p. 558
Zheng, J.J., Zhao, Y., Truhlar, D.G., (2007) J Phys Chem A, 111, p. 4632
Meyer, E. A., Castellano, R. K., Diederich, F., (2003) Angew Chem Int Ed, 42, p. 1210
McGaughey, G. B., Gagne, M., Rappe, A. K., (1998) J Biol Chem, 273, p. 15458
Kim, K. S., Tarakeshwar, P., Lee, J. Y., (2000) Chem Rev, 100, p. 4145
Luo, R., Gilson, H. S., Potter, M. J., Gilson, M. K., (2001) Biophys J, 80, p. 140
(1996) J-Aggregates, , Kobayashi, T, Ed, World Scientific: Singapore
Akins, D. L., Ozcelik, S., Zhu, H. R., Guo, C., (1996) J Phys Chem, 100, p. 14390
Chen, P., Tomov, I. V., Dvovnikov, A. S., Nakashima, M., Roach, J. F., Alabram, D. M., Rentzepis, P. M., (1996) J Phys Chem, 100, p. 17507
Tozer, D. J., Amos, R. D., Handy, N. C., Roos, B. O., Serrano-Andres, L., (1999) Mol Phys, 97, p. 859
Boys, S. F., Bernardi, F., (1970) Mol Phys, 19, p. 553
Perdew, J. P., Burke, K., Ernzerhof, M., (1996) Phys Rev Lett, 77, p. 3865
Becke, A. D., (1993) J Chem Phys, 98, p. 5648
Vydrov, O. A., Scuseria, G. E., (2006) J Chem Phys, 125, p. 234109
Yanai, T., Tew, D. P., Handy, N. C., (2004) Chem Phys Lett, 393, p. 51
Kistler, K. A., Matsika, S., (2007) J Phys Chem A, 111, p. 2650
Sobolewski, A. L., Domcke, W., (2004) Phys Chem Chem Phys, 6, p. 2763
Tomic, K., J rg, T., Marian, C. M., (2005) J Phys Chem A, 109, p. 8410
Fuelscher, M. P., Roos, B. O., (1995) J Am Chem Soc, 117, p. 2089
Lieb, E. H., Oxford, S., (1981) Int J Quantum Chem, 19, p. 427
Cai, Z. L., Crossley, M. J., Reimers, J. R., Kobayashi, R., Amos, R. D., (2006) J Phys Chem B, 110, p. 15624
Peach, M. J. G., Helgaker, T., Salek, P., Keal, T. W., Lutnaes, O. B., Tozer, D. J., Handy, N. C., (2006) Phys Chem Chem Phys, 8, p. 558
Zheng, J. J., Zhao, Y., Truhlar, D. G., (2007) J Phys Chem A, 111, p. 4632
Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case
By using calculations rooted in the time dependent density functional theory (TD-DFT) we have investigated how the lowest energy excited states of a face-to-face π-stacked cytosine dimer vary with the intermonomer distance (R). The perfomances of different density functionals have been compared, focussing mainly on the lowest energy single excited state of the dimer (S 1)2. TD-PBEO, TD-LC-ωPBE, and TD-M05-2X provide a picture very similar to that obtained at the CASPT2 level by Merchan et al. (J Chem Phys 2006, 125, 231102), predicting that (S1)2 has a minimum for R ∼ 3Å, with a binding energy of ∼0.5 eV, whereas TD-B3LYP, TD-CAM-B3LYP, and TD-PBE understimate the binding energy. However, independently of the functional employed, no low-energy spurious charge transfer transitions are predicted by TD-DFT calculations, also when a nonsymmetric dimer is investigated, providing encouraging indications for the use of TD-DFT for studying the excited state of π -stacked nucleobases. © 2007 Wiley Periodicals, Inc.
By using calculations rooted in the time dependent density functional theory (TD-DFT) we have investigated how the lowest energy excited states of a face-to-face π-stacked cytosine dimer vary with the intermonomer distance (R). The perfomances of different density functionals have been compared, focussing mainly on the lowest energy single excited state of the dimer (S 1)2. TD-PBEO, TD-LC-ωPBE, and TD-M05-2X provide a picture very similar to that obtained at the CASPT2 level by Merchan et al. (J Chem Phys 2006, 125, 231102), predicting that (S1)2 has a minimum for R ∼ 3Å, with a binding energy of ∼0.5 eV, whereas TD-B3LYP, TD-CAM-B3LYP, and TD-PBE understimate the binding energy. However, independently of the functional employed, no low-energy spurious charge transfer transitions are predicted by TD-DFT calculations, also when a nonsymmetric dimer is investigated, providing encouraging indications for the use of TD-DFT for studying the excited state of π -stacked nucleobases. © 2007 Wiley Periodicals, Inc.
Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case
Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case
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Banyasz A, Martinez-fernandez L, Improta R, Ketola TM, Balty C, Markovitsi D
* Radicals generated in alternating guanine-cytosine duplexes by direct absorption of low-energy UV radiation (245 visite)
Phys Chem Chem Phys (ISSN: 1463-9084electronic, 1463-9076linking), 2018 Aug 22; 20(33): 21381-21389.
Impact Factor: 3.454
Dettagli Esporta in BibTeX Esporta in EndNote
Chattopadhyay A, Cogdell R, Crespo-hernandez CE, Datta A, De A, Haacke S, Hariharan M, Helliwell J, Hughes A, Improta R, Jones M, Joseph J, Karsili T, Kohler B, Krishnan R, Kuriakose A, L , M , Markovitsi D, Medhi H, Periyasamy G, Pradeepkumar PI, Roy Chowdhury P, Sarangi M, Schapiro I, Schertler GFX, Schlichting I, Segarra-marti J, Swaminathan R, V , V , Van Grondelle R, Venkatraman RK, Venkatramani R, Watts A
* Light induced charge and energy transport in nucleic acids and proteins: general discussion (121 visite)
Faraday Discuss (ISSN: 1359-6640print, 1359-6640linking), 2018 Apr 1; 207: 153-180.
Impact Factor: 4.194
Dettagli Esporta in BibTeX Esporta in EndNote
Chandra A, Cogdell R, Crespo-hernandez CE, Datta A, Giussani A, Haacke S, Helliwell J, Improta R, Jayasree RS, Jones M, Karsili T, Kohler B, L , M , Mandal I, Markovitsi D, Medhi H, Mishra PP, Pradeepkumar PI, Roy Chowdhury P, Sarangi M, Schapiro I, Schlichting I, Segarra-marti J, Sharma A, V , V , Van Grondelle R, Watts A
* Light induced damage and repair in nucleic acids and proteins: general discussion (102 visite)
Faraday Discuss (ISSN: 1359-6640print, 1359-6640linking), 2018 Apr 1; 207: 389-408.
Impact Factor: 4.194
Dettagli Esporta in BibTeX Esporta in EndNote
Avitabile C, Diaferia C, Della Ventura B, Mercurio FA, Leone M, Roviello V, Saviano M, Velotta R, Morelli G, Accardo A, Romanelli A
* Self-Assembling of Fmoc-GC Peptide Nucleic Acid Dimers into Highly Fluorescent Aggregates (324 visite)
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018 Mar 26; 24(18): 4729-4735.
Impact Factor: 5.476
Dettagli Esporta in BibTeX Esporta in EndNote
Liu Y, Martínez-fernández L, Cerezo J, Prampolini G, Improta R, Santoro F
* Multistate coupled quantum dynamics of photoexcited cytosine in gas-phase: Nonadiabatic absorption spectrum and ultrafast internal conversions (151 visite)
Chem Phys (ISSN: 0301-0104), 2018; 515: 452-463.
Impact Factor: 2.843
Dettagli Esporta in BibTeX Esporta in EndNote
Bhat V, Cogdell R, Crespo-hernández CE, Datta A, De A, Haacke S, Helliwell J, Improta R, Joseph J, Karsili T, Kohler B, Krishnan R, Mahil LM, Lewis F, Mandal I, Markovitsi D, Mishra PP, Paul S, Periyasamy G, Pradeepkumar PI, Roy Chowdhury P, Sarangi M, Sasikumar D, Schapiro I, Schertler GFX, Schlichting I, Segarra-martí J, Swaminathan R, Vishnu V, Van Grondelle R, Varghese R, Venkatramani R
* Photocrosslinking between nucleic acids and proteins: general discussion (110 visite)
Faraday Discussions, 2018; N/D: N/D-N/D.
Impact Factor: 3.427
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Prampolini G, Cerezo J, Liu Y, Santoro F, Improta R
* Solvent effect on the energetics of proton coupled electron transfer in guanine-cytosine pair in chloroform by mixed explicit and implicit solvation models (92 visite)
Chem Phys (ISSN: 0301-0104), 2018; 515: 493-501.
Impact Factor: 2.843
Dettagli Esporta in BibTeX Esporta in EndNote
Conti I, Martinez-fernandez L, Esposito L, Hofinger S, Nenov A, Garavelli M, Improta R
* Multiple Electronic and Structural Factors Control Cyclobutane Pyrimidine Dimer and 6-4 Thymine-Thymine Photodimerization in a DNA Duplex (254 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017 Oct 26; 23(60): 15177-15188.
Impact Factor: 5.16
Dettagli Esporta in BibTeX Esporta in EndNote
Piras L, Avitabile C, D'Andrea LD, Saviano M, Romanelli A
* Detection of oligonucleotides by PNA-peptide conjugates recognizing the biarsenical fluorescein complex FlAsH-EDT2 (228 visite)
Biochem Bioph Res Co (ISSN: 0006-291x), 2017 Sep 15; N/D: N/D-N/D.
Impact Factor: 2.559
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Banyasz A, Esposito L, Markovitsi D, Improta R
* UV-induced damage to DNA: effect of cytosine methylation on pyrimidine dimerization (141 visite)
Signal Transduction And Targeted Therapy, 2017 Jun; N/D: N/D-N/D.
Impact Factor: 5.873
Dettagli Esporta in BibTeX Esporta in EndNote
Pepino AJ, Segarra-marti J, Nenov A, Improta R, Garavelli M
* Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides (225 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2017 Apr 20; 8(8): 1777-1783.
Impact Factor: 8.709
Dettagli Esporta in BibTeX Esporta in EndNote
Cerezo J, Martinez-fernandez L, Improta R, Santoro F
* Vibronic approach to the calculation of the decay rate of the photoexcited charge-transfer state of Guanine-Cytosine stacked dimer in water solution (132 visite)
Theoretical Chemistry Accounts, 2016 Sep; N/D: N/D-N/D.
Impact Factor: 1.806
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Zhang Y, De La Harpe K, Beckstead AA, Kohler B, Improta R
* Photoinduced long-lived charge transfer excited states in AT-DNA strands (135 visite)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2016 Aug 21; 18(31): 21241-21245.
Impact Factor: 4.123
Dettagli Esporta in BibTeX Esporta in EndNote
Sholokh M, Improta R, Mori M, Sharma R, Kenfack C, Shin D, Voltz K, Stote RH, Zaporozhets OA, Botta M, Tor Y, Mely Y
* Tautomers of a Fluorescent G Surrogate and Their Distinct Photophysics Provide Additional Information Channels (226 visite)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2016 Jun 8; N/D: N/D-N/D.
Impact Factor: 11.994
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Esposito L, Douki T, Perron M, Lepori C, Improta R, Markovitsi D
* Effect of C5-Methylation of Cytosine on the UV-Induced Reactivity of Duplex DNA: Conformational and Electronic Factors (198 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207), 2016 May 12; 120(18): 4232-4242.
Impact Factor: 3.177
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Santoro F, Blancafort L
* Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (315 visite)
Chem Rev (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
Impact Factor: 47.928
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Roviello V, Autiero I, Saviano M
* Solid phase synthesis of TyrT, a thymine-tyrosine conjugate with poly(A) RNA-binding ability (445 visite)
Rsc Adv (ISSN: 2046-2069), 2016; 6(33): 27607-27613.
Impact Factor: 3.108
Dettagli Esporta in BibTeX Esporta in EndNote
Zhang Y, de La Harpe K, Beckstead AA, Improta R, Kohler B
* UV-Induced Proton Transfer between DNA Strands (275 visite) (PDF 198 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2015 Jun 10; 137(22): 7059-7062.
Impact Factor: 13.038
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V
* Excited States behavior of nucleobases in solution: insights from computational studies (173 visite)
Top Curr Chem (ISSN: 0340-1022), 2015; 355: 329-357.
Impact Factor: 4.014
Dettagli Esporta in BibTeX Esporta in EndNote
Avitabile C, Accardo A, Ringhieri P, Morelli G, Saviano M, Montagner G, Fabbri E, Gallerani E, Gambari R, Romanelli A
* Incorporation of Naked Peptide Nucleic Acids into Liposomes Leads to Fast and Efficient Delivery (383 visite)
Bioconjug Chem (ISSN: 1043-1802, 1520-4812), 2015; 26(8): 1533-1541.
Impact Factor: 4.5
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Musumeci D, Roviello V, Pirtskhalava M, Egoyan A, Mirtskhulava M
* Natural and artificial binders of polyriboadenylic acid and their effect on RNA structure (333 visite)
Beilstein J Nanotech (ISSN: 2190-4286), 2015; 6(1): 1338-1347.
Impact Factor: 2.778
Dettagli Esporta in BibTeX Esporta in EndNote
Zhang Y, Dood J, Beckstead AA, Li X-B, Nguyen KV, Burrows CJ, Improta R, Kohler B
* Photoinduced Electron Transfer in DNA: Charge Shift Dynamics between 8-Oxo-Guanine Anion and Adenine (311 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207), 2015; 119(24): 7491-7502.
Impact Factor: 3.187
Dettagli Esporta in BibTeX Esporta in EndNote
Huix-Rotllant M, Brazard J, Improta R, Burghardt I, Markovitsi D
* Stabilization of mixed frenkel-charge transfer excitons extended across both strands of guanine-cytosine DNA duplexes (293 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2015; 6(12): 2247-2251.
Impact Factor: 8.539
Dettagli Esporta in BibTeX Esporta in EndNote
Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S
* TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids (267 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
Impact Factor: 2.883
Dettagli Esporta in BibTeX Esporta in EndNote
Changenet-Barret P, Gustavsson T, Improta R, Markovitsi D
* Ultrafast Excited-State Deactivation of 8-Hydroxy-2′-deoxyguanosine Studied by Femtosecond Fluorescence Spectroscopy and Quantum-Chemical Calculations (289 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(23): 6131-6139.
Impact Factor: 2.883
Dettagli Esporta in BibTeX Esporta in EndNote
Zhang Y, Dood J, Beckstead AA, Li X-B, Nguyen KV, Burrows CJ, Improta R, Kohler B
* Efficient UV-induced charge separation and recombination in an 8-oxoguanine-containing dinucleotide (283 visite)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Sep 12; 111(32): 11612-11617.
Impact Factor: 9.674
Dettagli Esporta in BibTeX Esporta in 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 (249 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2014 Sep 6; 136(31): 10838-10841.
Impact Factor: 12.113
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R
* Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex (218 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jun 23; 20(26): 8106-8115.
Impact Factor: 5.731
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Improta R, Fahleson T, Kauczor J, Norman P, Coriani S
* Relative stability of the La and Lb excited states in adenine and guanine: Direct evidence from TD-DFT calculations of MCD spectra (200 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2014 Jun 5; 5(11): 1806-1811.
Impact Factor: 7.458
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Musumeci D, D'Alessandro C, Pedone C
* Binding ability of a thymine-functionalized oligolysine towards nucleic acids (281 visite)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391), 2014 Feb 1; 22(3): 997-1002.
Impact Factor: 2.793
Dettagli Esporta in BibTeX Esporta in EndNote
Russo Krauss I, Parkinson GN, Merlino A, Mattia CA, Randazzo A, Novellino E, Mazzarella L, Sica F
* A regular thymine tetrad and a peculiar supramolecular assembly in the first crystal structure of an all-LNA G-quadruplex (307 visite)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2014 Feb; 70(2): 362-370.
Impact Factor: 7.232
Dettagli Esporta in BibTeX Esporta in EndNote
Dubbioso R, Pappata S, Quarantelli M, D'Arco F, Manganelli F, Esposito M, Santoro L
* Atypical Clinical And Radiological Presentation Of Cryptococcal Choroid Plexitis In An Immunocompetent Woman (322 visite)
J Neurol Sci (ISSN: 1878-5883, 0022-510x), 2013 Nov; 334(1-2): 180-182.
Impact Factor: 1.453
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Zanoli LM, Spoto G
* Isothermal amplification methods for the detection of nucleic acids in microfluidic devices (286 visite)
Biosensors (ISSN: 2079-6374), 2013 Mar; 3(1): 18-43.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Gustavsson T, Onidas D, Changenet-Barret P, Markovitsi D, Improta R
* Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (236 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.
Impact Factor: 5.696
Dettagli Esporta in BibTeX Esporta in EndNote
Zanoli LM, Licciardello M, D'Agata R, Lantano C, Calabretta A, Corradini R, Marchelli R, Spoto G
* Peptide nucleic acid molecular beacons for the detection of PCR amplicons in droplet-based microfluidic devices (226 visite)
Anal Bioanal Chem (ISSN: 1618-2642), 2013 Jan; 405(2-3): 615-624.
Impact Factor: 3.578
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Poletto M, Vascotto C, Scognamiglio PL, Lirussi L, Marasco D, Tell G
* Role Of The Unstructured N-Terminal Domain Of The Human Apurinic/Apyrimidinic Endonuclease 1 (hape1) In The Modulation Of Its Interaction With Nucleic Acids And Nucleophosmin (npm1) (319 visite)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2013; 452(3): 545-557.
Impact Factor: 4.779
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Improta R, Avila Ferrer FJ, Segado M, Lami A
* The interplay between neutral exciton and charge transfer states in single-strand polyadenine: A quantum dynamical investigation (359 visite)
Photochem Photobiol Sci (ISSN: 1474-905x), 2013; 12(8): 1527-1543.
Impact Factor: 2.939
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R
* Photophysics and photochemistry of thymine deoxy-dinucleotide in water: A PCM/TD-DFT quantum mechanical study (255 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Dec 13; 116(49): 14261-14274.
Impact Factor: 3.607
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Musumeci D, Bucci EM, Pedone C
* Synthesis of a diaminopropanoic acid-based nucleoamino acid and assembly of cationic nucleopeptides for biomedical applications (373 visite)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2012 Dec; 43(6): 2537-2543.
Impact Factor: 3.914
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Roviello G, Musumeci D, Bucci EM, Pedone C
* Dakin-West reaction on 1-thyminyl acetic acid for the synthesis of 1, 3-bis(1-thyminyl)-2-propanone, a heteroaromatic compound with nucleopeptide-binding properties (353 visite)
Amino Acids (ISSN: 1438-2199, 0939-4451, 1438-2199electronic), 2012 Oct; 43(4): 1615-1623.
Impact Factor: 3.914
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
* Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (306 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Impact Factor: 10.677
Dettagli Esporta in BibTeX Esporta in 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 (351 visite)
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.
Impact Factor: 4.814
Dettagli Esporta in BibTeX Esporta in EndNote
Avitabile C, Saviano M, D'Andrea LD, Bianchi N, Fabbri E, Brognara E, Gambari R, Romanelli A
* Targeting pre-miRNA by peptide nucleic acids: a new strategy to interfere in the miRNA maturation (398 visite)
Artif Dna Pna Xnaartificial Dna Pna & Xna (ISSN: 1949-9096, 1949-0968, 1949-095x), 2012 Apr; 3(2): 88-96.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R
* Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (199 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.
Impact Factor: 9.907
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V
* Interplay between "neutral" and "charge-transfer" excimers rules the excited state decay in adenine-rich polynucleotides (203 visite)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2011 Dec 9; 50(50): 12016-12019.
Impact Factor: 13.455
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Musumeci D, Bucci EM, Pedone C
* Synthesis and characterization of a novel ester-based nucleoamino acid for the assembly of aromatic nucleopeptides for biomedical applications (425 visite)
Int J Pharm (ISSN: 0378-5173, 1873-3476), 2011 Sep 30; 415(1-2): 206-210.
Impact Factor: 3.35
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Musumeci D, Bucci EM, Pedone C
* Nucleobase-containing peptides: a spectroscopic study of their properties and nucleic acids recognition ability (342 visite)
Eur Biophys J (ISSN: 0175-7571, 1432-1017), 2011 Sep; 40: N/D-N/D.
Impact Factor: 2.139
Dettagli Esporta in BibTeX Esporta in EndNote
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 (244 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
Roviello GN, Ricci A, Bucci EM, Pedone C
* Synthesis, biological evaluation and supramolecular assembly of novel analogues of peptidyl nucleosides (831 visite)
Mol Biosyst (ISSN: 1742-206x, 1742-2051, 1742-2051electronic), 2011 May; 7(5): 1773-1778.
Impact Factor: 3.534
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 (273 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
Moccia M, Roviello GN, Bucci EM, Pedone C, Saviano M
* Synthesis of a l-lysine-based alternate alpha, epsilon-peptide: A novel linear polycation with nucleic acids-binding ability (381 visite)
Int J Pharm (ISSN: 0378-5173, 1873-3476), 2010 Sep 15; 397(1-2): 179-183.
Impact Factor: 3.607
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 (253 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
Roviello GN, Crescenzo C, Capasso D, Di Gaetano S, Franco S, Bucci EM, Pedone C
* Synthesis of a novel Fmoc-protected nucleoaminoacid for the solid phase assembly of 4-piperidyl glycine/L-arginine-containing nucleopeptides and preliminary RNA interaction studies (364 visite)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2010 Sep; 39(3): 795-800.
Impact Factor: 4.106
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Improta R, Markovitsi D
DNA/RNA: Building blocks of life under UV irradiation (232 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
D'Agata R, Corradini R, Ferretti C, Zanoli L, Gatti M, Marchelli R, Spoto G
* Ultrasensitive detection of non-amplified genomic DNA by nanoparticle-enhanced surface plasmon resonance imaging (263 visite)
Biosens Bioelectron (ISSN: 0956-5663, 1873-4235electronic), 2010 May 15; 25(9): 2095-2100.
Impact Factor: 5.361
Dettagli Esporta in BibTeX Esporta in EndNote
Orsi S, De Capua A, Guarnieri D, Marasco D, Netti PA
* Cell recruitment and transfection in gene activated collagen matrix (283 visite)
Biomaterials (ISSN: 0142-9612, 1878-5905electronic, 0142-9612linking), 2010 Jan; 31(3): 570-576.
Impact Factor: 7.883
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Musumeci D, Pedone C, Bucci EM
* Synthesis, Characterization And Hybridization Studies Of An Alternate Nucleo-Epsilon/Gamma-Peptide: Complexes Formation With Natural Nucleic Acids (357 visite)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2010 Jan; 38(1): 103-111.
Impact Factor: 4.106
Dettagli Esporta in BibTeX Esporta in EndNote
D'Antò V, Michelotti A, Esposito L, Zagari A, Liguori R, Sacchetti L
* Nonsynonimous mutation of catechol-O-methyl-transferase (COMT) gene in a patient with temporomandibular disorder (246 visite)
J Sci Med Sport (ISSN: 1440-2440), 2010; 13(6): 174-179.
Impact Factor: 3.194
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 (242 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
Ruggiero A, Di Maro A, Severino V, Chambery A, Berisio R
* Crystal structure of PD-L1, a ribosome inactivating protein from Phytolacca dioica L. leaves with the property to induce DNA cleavage (353 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1135-1142.
Impact Factor: 2.605
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 (193 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
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 (251 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 (215 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(42): 15232-15245.
Impact Factor: 8.58
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Merlino A, Varriale S, Coscia MR, Mazzarella L, Oreste U
* Structure and dimerization of the teleost transmembrane immunoglobulin region (302 visite)
Journal Of Molecular Graphics & Modelling (ISSN: 1093-3263), 2008 Oct; 27(3): 401-407.
Impact Factor: 2.347
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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 (283 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2008 Sep 4; 112(35): 10769-10772.
Impact Factor: 4.189
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Roviello GN, Musumeci D, Bucci EM, Castiglione M, Cesarani A, Pedone C, Piccialli G
* Evidences for complex formation between l-dabPNA and aegPNA (255 visite)
Bioorg Med Chem Lett (ISSN: 0960-894x, 1464-3405, 1464-3405electronic), 2008 Sep 1; 18(17): 4757-4760.
Impact Factor: 2.531
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D'Agata R, Corradini R, Grasso G, Marchelli R, Spoto G
* Ultrasensitive detection of DNA by PNA and nanoparticle-enhanced surface plasmon resonance imaging (327 visite)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2008 Sep 1; 9(13): 2067-2070.
Impact Factor: 3.322
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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 (190 visite)
Theor Chem Acc (ISSN: 1432-881x), 2008 Jul; 120(4-6): 491-497.
Impact Factor: 2.37
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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 (239 visite)
Chem Phys (ISSN: 0301-0104), 2008 Jun 23; 350(1-3): 186-192.
Impact Factor: 1.961
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Gustavsson T, Banyasz A, Sarkar N, Markovitsi D, Improta R
* Statin: New life for an old drug (323 visite)
Pharmacol Res Academic Press, 2008 Jun 23; 350(1-3): 1-2.
Impact Factor: 3.976
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Breveglieri G, Pensato S, Salvatori F, Saviano M, Pedone C, Romanelli A, Gambari R
* PNA-mediated alteration of mRNA splicing (273 visite)
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 175-181.
Impact Factor: 0.1
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Marchelli R, Saviano M, Licandro E, Spoto G, Borgatti M, Gambari R
* PNAs targeting the "RNA world": Micro RNA next? (327 visite)
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 183-188.
Impact Factor: 0.1
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Zanoli L, Dagata R, Spoto G
* Surface plasmon-based optical detection of DNA peptide nucleic acids (227 visite)
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 165-174.
Impact Factor: 0.1
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 (152 visite)
Physical Chemistry Chemical Physics, 2008; 10: 2656-2664.
Impact Factor: 2.028
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Santoro F, Barone V, Benzi C, Improta R
* Excited state properties of sizable molecules in solution: From structure to reactivity (214 visite)
Theor Chem Acc (ISSN: 1432-881x), 2007 May; 117(5-6): 1073-1084.
Impact Factor: 2.537
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Roviello GN, Musumeci D, Moccia M, Castiglione M, Sapio R, Valente M, Bucci EM, Perretta G, Pedone C
* Dabpna: Design, Synthesis And Nucleic Acids Binding Studies (366 visite)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(10-12): 1307-1310.
Impact Factor: 0.723
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Santoro F, Barone V, Improta R
* Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations (205 visite)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007; 104(24): 9931-9936.
Impact Factor: 9.598
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Moccia M, Musumeci D, Valente M, Roviello GN, Sapio R, Pedone C, Bucci EM
* Thermodynamic studies on PNA and PNA/DNA dendrimer formation (200 visite)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(8-9): 1173-1176.
Impact Factor: 0.723
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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 (196 visite)
Aip Conf Proc (ISSN: 0094-243x), 2007; 963(2): 631-634.
Impact Factor: 0
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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 (244 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.
Impact Factor: 7.696
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Roviello GN, Moccia M, Sapio R, Valente M, Bucci EM, Castiglione M, Pedone C, Perretta G, Benedetti E, Musumeci D
* Synthesis, Characterization And Hybridization Studies Of New Nucleo-Gamma-Peptides Based On Diaminobutyric Acid (416 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2006 Dec; 12(12): 829-835.
Impact Factor: 1.801
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Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (313 visite)
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.
Impact Factor: 3.247
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Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics (297 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.
Impact Factor: 3.166
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Barone V, Newton MD, Improta R
* Dissociative electron transfer in donor - Peptide - Acceptor systems: Results for kinetic parameters from a density functional/polarizable continuum model (224 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jun 29; 110(25): 12632-12639.
Impact Factor: 4.115
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Salvatore E, Varrone A, Sansone V, Nolano M, Bruni AC, De Rosa A, Santoro L, Pappata S, Filla A, De Michele G
* Characterization of nigrostriatal dysfunction in spinocerebellar ataxia 17 (262 visite)
Mov Disord (ISSN: 0885-3185, 1531-8257), 2006 Jun; 21(6): 872-875.
Impact Factor: 3.323
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Menchise V, De Simone G, Alterio V, Di Fiore A, Pedone C, Scozzafava A, Supuran CT
* Carbonic anhydrase inhibitors: Stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II (407 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2005 Sep 8; 48(18): 5721-5727.
Impact Factor: 4.926
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Improta R, Antonello S, Formaggio F, Maran F, Rega N, Barone V
* Understanding Electron Transfer across Negatively-Charged Aib Oligopeptides (486 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2005 Jan 20; 109(2): 1023-1033.
Impact Factor: 4.033
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Borgatti M, Boyd DD, Lampronti I, Bianchi N, Fabbri E, Saviano M, Romanelli A, Pedone C, Gambari R
* Decoy molecules based on PNA-DNA chimeras and targeting Sp1 transcription factors inhibit the activity of urokinase-type plasminogen activator receptor (uPAR) promoter (332 visite)
Oncology Research (ISSN: 0965-0407), 2005; 15(7-8): 373-383.
Impact Factor: 1.844
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Borgatti M, Finotti A, Romanelli A, Saviano M, Bianchi N, Lampronti I, Lambertini E, Penolazzi L, Nastruzzi C, Mischiati C, Piva R, Pedone C, Gambari R
* Peptide nucleic acids (PNA)-DNA chimeras targeting transcription factors as a tool to modify gene expression (426 visite)
Curr Drug Targets (ISSN: 1389-4501), 2004 Nov; 5(8): 735-744.
Impact Factor: 4.104
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Cortesi R, Mischiati C, Borgatti M, Breda L, Romanelli A, Saviano M, Pedone C, Gambari R, Nastruzzi C
* Formulations for natural and peptide nucleic acids based on cationic polymeric submicron particles (322 visite)
The Aaps Journal (ISSN: 1522-1059, 1550-7416), 2004 Jan 20; 6(1): N/D-N/D.
Impact Factor: 1.938
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Barone V, Formaggio F, Improta R, Polo F, Maran F
* Electron transfer to and conformational preferences of Aib oligo-peptides (333 visite)
Proc Electrochem Soc, 2004; 10: 29-32.
Impact Factor: 0
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Musumeci D, Roviello GN, Valente M, Sapio R, Pedone C, Bucci EM
* New synthesis of PNA-3′DNA linker monomers, useful building blocks to obtain PNA/DNA chimeras (369 visite)
Biopolymers, 2004; 76(6): 535-542.
Impact Factor: 2.248
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Borgatti M, Lampronti I, Romanelli A, Pedone C, Saviano M, Bianchi N, Mischiati C, Gambari R
* Transcription factor decoy molecules based on a peptide nucleic acid (PNA)-DNA chimera mimicking Sp1 binding sites (320 visite)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2003 Feb 28; 278(9): 7500-7509.
Impact Factor: 6.482
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Gambari R, Borgatti M, Romanelli A, Capasso D, Saviano M, Bianchi N, Lampronti I, Mischiati C, Pedone C
* Transcription factor decoy (TFD) activity of peptide nucleic acids (PNA)-DNA chimeras (204 visite)
International Journal Of Molecular Medicine (ISSN: 1107-3756), 2003; 12(Supplement1): N/D-N/D.
Impact Factor: 1.94
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Romanelli A, Pedone C, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
* Molecular interactions between nuclear factor κB (NF-κB) transcription factors and a PNA-DNA chimera mimicking NF-κB binding sites (315 visite)
Eur J Biochem (ISSN: 0014-2956, 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 2.849
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Romanelli A, Pedone C, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
* Molecular interactions with nuclear factor kappaB (NF-kappaB) transcription factors of a PNA-DNA chimera mimicking NF-kappaB binding sites (364 visite)
Eur J Biochem (ISSN: 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 4.779
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Adinolfi S, Piccoli R, Sica F, Mazzarella L
BS-RNase tetramers: An example of domain-swapped oligomers (360 visite)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 1996 Dec 2; 398(2-3): 326-332.
Impact Factor: 3.504
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Caraglia M, Tagliaferri P, Correale P, Genua G, Pinto A, Del Vecchio S, Esposito G, Bianco AR
CYTOSINE-ARABINOSIDE INCREASES THE BINDING OF I-125 LABELED EPIDERMAL GROWTH-FACTOR AND I-125 TRANSFERRIN AND ENHANCES THE IN-VITRO TARGETING OF HUMAN TUMOR-CELLS WITH ANTI-(GROWTH FACTOR-RECEPTOR) MAB (270 visite)
Cancer Immunol Immunother (ISSN: 0340-7004, 0340-7004linking), 1993 Sep; 37(3): 150-156.
Impact Factor: 1.269
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Caraglia M, Tagliaferri P, Correale P, Genua G, Pinto A, Del Vecchio S, Esposito G, Bianco AR
Cytosine arabinoside increases the binding of 125I-labelled epidermal growth factor and 125I-transferrin and enhances the in vitro targeting of human tumour cells with anti-(growth factor receptor) mAb (182 visite)
Cancer Immunol Immunother (ISSN: 0340-7004linking), 1993 Aug; 37 (3 ): 150-156.
Impact Factor: 4.293
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Caraglia M, Correale P, Genua G, Pepe S, Del Vecchio S, Esposito G, Bianco AR, Tagliaferri P
EPIDERMAL GROWTH-FACTOR (EGFR) AND TRANSFERRIN (TRFR) RECEPTOR UP-REGULATION IS INDUCED BY ARABINOSIDE CYTOSINE (ARA-C) ON HUMAN TUMOR-CELLS (193 visite)
Cancer Detection And Prevention (ISSN: 0361-090x), 1993; 17(2): 337-338.
Impact Factor: 0.838
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Vai a fine pagina Versione per copia e incolla facile Esporta tutto in BibTeX Esporta tutto in EndNote
Yaghoubi Jouybari M, Liu Y, Improta R, Santoro F
Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study (13 visite)
J Chem Theory Comput (ISSN: 1549-9618linking), 2020 Sep 8; 16(9): 5792-5808.
Impact Factor: 5.313
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Green JA, Improta R
* Vibrations of the guanine-cytosine pair in chloroform: an anharmonic computational study (25 visite)
Phys Chem Chem Phys (ISSN: 1463-9076linking), 2020 Mar 11; 22(10): 5509-5522.
Impact Factor: 3.52
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Avitabile C, Diaferia C, Roviello V, Altamura D, Giannini C, Vitagliano L, Accardo A, Romanelli A
* Fluorescence and Morphology of Self-Assembled Nucleobases and Their Diphenylalanine Hybrid Aggregates (117 visite)
Chemistry (ISSN: 0947-6539linking), 2019 Nov 22; 25(65): 14850-14857.
Impact Factor: 5.476
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Banyasz A, Martinez-fernandez L, Improta R, Ketola TM, Balty C, Markovitsi D
* Radicals generated in alternating guanine-cytosine duplexes by direct absorption of low-energy UV radiation (245 visite)
Phys Chem Chem Phys (ISSN: 1463-9084electronic, 1463-9076linking), 2018 Aug 22; 20(33): 21381-21389.
Impact Factor: 3.454
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Chattopadhyay A, Cogdell R, Crespo-hernandez CE, Datta A, De A, Haacke S, Hariharan M, Helliwell J, Hughes A, Improta R, Jones M, Joseph J, Karsili T, Kohler B, Krishnan R, Kuriakose A, L , M , Markovitsi D, Medhi H, Periyasamy G, Pradeepkumar PI, Roy Chowdhury P, Sarangi M, Schapiro I, Schertler GFX, Schlichting I, Segarra-marti J, Swaminathan R, V , V , Van Grondelle R, Venkatraman RK, Venkatramani R, Watts A
* Light induced charge and energy transport in nucleic acids and proteins: general discussion (121 visite)
Faraday Discuss (ISSN: 1359-6640print, 1359-6640linking), 2018 Apr 1; 207: 153-180.
Impact Factor: 4.194
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Chandra A, Cogdell R, Crespo-hernandez CE, Datta A, Giussani A, Haacke S, Helliwell J, Improta R, Jayasree RS, Jones M, Karsili T, Kohler B, L , M , Mandal I, Markovitsi D, Medhi H, Mishra PP, Pradeepkumar PI, Roy Chowdhury P, Sarangi M, Schapiro I, Schlichting I, Segarra-marti J, Sharma A, V , V , Van Grondelle R, Watts A
* Light induced damage and repair in nucleic acids and proteins: general discussion (102 visite)
Faraday Discuss (ISSN: 1359-6640print, 1359-6640linking), 2018 Apr 1; 207: 389-408.
Impact Factor: 4.194
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Avitabile C, Diaferia C, Della Ventura B, Mercurio FA, Leone M, Roviello V, Saviano M, Velotta R, Morelli G, Accardo A, Romanelli A
* Self-Assembling of Fmoc-GC Peptide Nucleic Acid Dimers into Highly Fluorescent Aggregates (324 visite)
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018 Mar 26; 24(18): 4729-4735.
Impact Factor: 5.476
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Liu Y, Martínez-fernández L, Cerezo J, Prampolini G, Improta R, Santoro F
* Multistate coupled quantum dynamics of photoexcited cytosine in gas-phase: Nonadiabatic absorption spectrum and ultrafast internal conversions (151 visite)
Chem Phys (ISSN: 0301-0104), 2018; 515: 452-463.
Impact Factor: 2.843
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Bhat V, Cogdell R, Crespo-hernández CE, Datta A, De A, Haacke S, Helliwell J, Improta R, Joseph J, Karsili T, Kohler B, Krishnan R, Mahil LM, Lewis F, Mandal I, Markovitsi D, Mishra PP, Paul S, Periyasamy G, Pradeepkumar PI, Roy Chowdhury P, Sarangi M, Sasikumar D, Schapiro I, Schertler GFX, Schlichting I, Segarra-martí J, Swaminathan R, Vishnu V, Van Grondelle R, Varghese R, Venkatramani R
* Photocrosslinking between nucleic acids and proteins: general discussion (110 visite)
Faraday Discussions, 2018; N/D: N/D-N/D.
Impact Factor: 3.427
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Prampolini G, Cerezo J, Liu Y, Santoro F, Improta R
* Solvent effect on the energetics of proton coupled electron transfer in guanine-cytosine pair in chloroform by mixed explicit and implicit solvation models (92 visite)
Chem Phys (ISSN: 0301-0104), 2018; 515: 493-501.
Impact Factor: 2.843
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Conti I, Martinez-fernandez L, Esposito L, Hofinger S, Nenov A, Garavelli M, Improta R
* Multiple Electronic and Structural Factors Control Cyclobutane Pyrimidine Dimer and 6-4 Thymine-Thymine Photodimerization in a DNA Duplex (254 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017 Oct 26; 23(60): 15177-15188.
Impact Factor: 5.16
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Piras L, Avitabile C, D'Andrea LD, Saviano M, Romanelli A
* Detection of oligonucleotides by PNA-peptide conjugates recognizing the biarsenical fluorescein complex FlAsH-EDT2 (228 visite)
Biochem Bioph Res Co (ISSN: 0006-291x), 2017 Sep 15; N/D: N/D-N/D.
Impact Factor: 2.559
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Martinez-fernandez L, Banyasz A, Esposito L, Markovitsi D, Improta R
* UV-induced damage to DNA: effect of cytosine methylation on pyrimidine dimerization (141 visite)
Signal Transduction And Targeted Therapy, 2017 Jun; N/D: N/D-N/D.
Impact Factor: 5.873
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Pepino AJ, Segarra-marti J, Nenov A, Improta R, Garavelli M
* Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides (225 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2017 Apr 20; 8(8): 1777-1783.
Impact Factor: 8.709
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Cerezo J, Martinez-fernandez L, Improta R, Santoro F
* Vibronic approach to the calculation of the decay rate of the photoexcited charge-transfer state of Guanine-Cytosine stacked dimer in water solution (132 visite)
Theoretical Chemistry Accounts, 2016 Sep; N/D: N/D-N/D.
Impact Factor: 1.806
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Martinez-fernandez L, Zhang Y, De La Harpe K, Beckstead AA, Kohler B, Improta R
* Photoinduced long-lived charge transfer excited states in AT-DNA strands (135 visite)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2016 Aug 21; 18(31): 21241-21245.
Impact Factor: 4.123
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Sholokh M, Improta R, Mori M, Sharma R, Kenfack C, Shin D, Voltz K, Stote RH, Zaporozhets OA, Botta M, Tor Y, Mely Y
* Tautomers of a Fluorescent G Surrogate and Their Distinct Photophysics Provide Additional Information Channels (226 visite)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2016 Jun 8; N/D: N/D-N/D.
Impact Factor: 11.994
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Banyasz A, Esposito L, Douki T, Perron M, Lepori C, Improta R, Markovitsi D
* Effect of C5-Methylation of Cytosine on the UV-Induced Reactivity of Duplex DNA: Conformational and Electronic Factors (198 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207), 2016 May 12; 120(18): 4232-4242.
Impact Factor: 3.177
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Improta R, Santoro F, Blancafort L
* Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (315 visite)
Chem Rev (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
Impact Factor: 47.928
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Roviello GN, Roviello V, Autiero I, Saviano M
* Solid phase synthesis of TyrT, a thymine-tyrosine conjugate with poly(A) RNA-binding ability (445 visite)
Rsc Adv (ISSN: 2046-2069), 2016; 6(33): 27607-27613.
Impact Factor: 3.108
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Zhang Y, de La Harpe K, Beckstead AA, Improta R, Kohler B
* UV-Induced Proton Transfer between DNA Strands (275 visite) (PDF 198 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2015 Jun 10; 137(22): 7059-7062.
Impact Factor: 13.038
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V
* Excited States behavior of nucleobases in solution: insights from computational studies (173 visite)
Top Curr Chem (ISSN: 0340-1022), 2015; 355: 329-357.
Impact Factor: 4.014
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Avitabile C, Accardo A, Ringhieri P, Morelli G, Saviano M, Montagner G, Fabbri E, Gallerani E, Gambari R, Romanelli A
* Incorporation of Naked Peptide Nucleic Acids into Liposomes Leads to Fast and Efficient Delivery (383 visite)
Bioconjug Chem (ISSN: 1043-1802, 1520-4812), 2015; 26(8): 1533-1541.
Impact Factor: 4.5
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Roviello GN, Musumeci D, Roviello V, Pirtskhalava M, Egoyan A, Mirtskhulava M
* Natural and artificial binders of polyriboadenylic acid and their effect on RNA structure (333 visite)
Beilstein J Nanotech (ISSN: 2190-4286), 2015; 6(1): 1338-1347.
Impact Factor: 2.778
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Zhang Y, Dood J, Beckstead AA, Li X-B, Nguyen KV, Burrows CJ, Improta R, Kohler B
* Photoinduced Electron Transfer in DNA: Charge Shift Dynamics between 8-Oxo-Guanine Anion and Adenine (311 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207), 2015; 119(24): 7491-7502.
Impact Factor: 3.187
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Huix-Rotllant M, Brazard J, Improta R, Burghardt I, Markovitsi D
* Stabilization of mixed frenkel-charge transfer excitons extended across both strands of guanine-cytosine DNA duplexes (293 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2015; 6(12): 2247-2251.
Impact Factor: 8.539
Dettagli Esporta in BibTeX Esporta in EndNote
Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S
* TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids (267 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
Impact Factor: 2.883
Dettagli Esporta in BibTeX Esporta in EndNote
Changenet-Barret P, Gustavsson T, Improta R, Markovitsi D
* Ultrafast Excited-State Deactivation of 8-Hydroxy-2′-deoxyguanosine Studied by Femtosecond Fluorescence Spectroscopy and Quantum-Chemical Calculations (289 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(23): 6131-6139.
Impact Factor: 2.883
Dettagli Esporta in BibTeX Esporta in EndNote
Zhang Y, Dood J, Beckstead AA, Li X-B, Nguyen KV, Burrows CJ, Improta R, Kohler B
* Efficient UV-induced charge separation and recombination in an 8-oxoguanine-containing dinucleotide (283 visite)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Sep 12; 111(32): 11612-11617.
Impact Factor: 9.674
Dettagli Esporta in BibTeX Esporta in 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 (249 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2014 Sep 6; 136(31): 10838-10841.
Impact Factor: 12.113
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R
* Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex (218 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jun 23; 20(26): 8106-8115.
Impact Factor: 5.731
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Improta R, Fahleson T, Kauczor J, Norman P, Coriani S
* Relative stability of the La and Lb excited states in adenine and guanine: Direct evidence from TD-DFT calculations of MCD spectra (200 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2014 Jun 5; 5(11): 1806-1811.
Impact Factor: 7.458
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Musumeci D, D'Alessandro C, Pedone C
* Binding ability of a thymine-functionalized oligolysine towards nucleic acids (281 visite)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391), 2014 Feb 1; 22(3): 997-1002.
Impact Factor: 2.793
Dettagli Esporta in BibTeX Esporta in EndNote
Russo Krauss I, Parkinson GN, Merlino A, Mattia CA, Randazzo A, Novellino E, Mazzarella L, Sica F
* A regular thymine tetrad and a peculiar supramolecular assembly in the first crystal structure of an all-LNA G-quadruplex (307 visite)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2014 Feb; 70(2): 362-370.
Impact Factor: 7.232
Dettagli Esporta in BibTeX Esporta in EndNote
Dubbioso R, Pappata S, Quarantelli M, D'Arco F, Manganelli F, Esposito M, Santoro L
* Atypical Clinical And Radiological Presentation Of Cryptococcal Choroid Plexitis In An Immunocompetent Woman (322 visite)
J Neurol Sci (ISSN: 1878-5883, 0022-510x), 2013 Nov; 334(1-2): 180-182.
Impact Factor: 1.453
Dettagli Esporta in BibTeX Esporta in EndNote
Zanoli LM, Spoto G
* Isothermal amplification methods for the detection of nucleic acids in microfluidic devices (286 visite)
Biosensors (ISSN: 2079-6374), 2013 Mar; 3(1): 18-43.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Gustavsson T, Onidas D, Changenet-Barret P, Markovitsi D, Improta R
* Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (236 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.
Impact Factor: 5.696
Dettagli Esporta in BibTeX Esporta in EndNote
Zanoli LM, Licciardello M, D'Agata R, Lantano C, Calabretta A, Corradini R, Marchelli R, Spoto G
* Peptide nucleic acid molecular beacons for the detection of PCR amplicons in droplet-based microfluidic devices (226 visite)
Anal Bioanal Chem (ISSN: 1618-2642), 2013 Jan; 405(2-3): 615-624.
Impact Factor: 3.578
Dettagli Esporta in BibTeX Esporta in EndNote
Poletto M, Vascotto C, Scognamiglio PL, Lirussi L, Marasco D, Tell G
* Role Of The Unstructured N-Terminal Domain Of The Human Apurinic/Apyrimidinic Endonuclease 1 (hape1) In The Modulation Of Its Interaction With Nucleic Acids And Nucleophosmin (npm1) (319 visite)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2013; 452(3): 545-557.
Impact Factor: 4.779
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Improta R, Avila Ferrer FJ, Segado M, Lami A
* The interplay between neutral exciton and charge transfer states in single-strand polyadenine: A quantum dynamical investigation (359 visite)
Photochem Photobiol Sci (ISSN: 1474-905x), 2013; 12(8): 1527-1543.
Impact Factor: 2.939
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R
* Photophysics and photochemistry of thymine deoxy-dinucleotide in water: A PCM/TD-DFT quantum mechanical study (255 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Dec 13; 116(49): 14261-14274.
Impact Factor: 3.607
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Musumeci D, Bucci EM, Pedone C
* Synthesis of a diaminopropanoic acid-based nucleoamino acid and assembly of cationic nucleopeptides for biomedical applications (373 visite)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2012 Dec; 43(6): 2537-2543.
Impact Factor: 3.914
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Roviello G, Musumeci D, Bucci EM, Pedone C
* Dakin-West reaction on 1-thyminyl acetic acid for the synthesis of 1, 3-bis(1-thyminyl)-2-propanone, a heteroaromatic compound with nucleopeptide-binding properties (353 visite)
Amino Acids (ISSN: 1438-2199, 0939-4451, 1438-2199electronic), 2012 Oct; 43(4): 1615-1623.
Impact Factor: 3.914
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
* Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (306 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Impact Factor: 10.677
Dettagli Esporta in BibTeX Esporta in 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 (351 visite)
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.
Impact Factor: 4.814
Dettagli Esporta in BibTeX Esporta in EndNote
Avitabile C, Saviano M, D'Andrea LD, Bianchi N, Fabbri E, Brognara E, Gambari R, Romanelli A
* Targeting pre-miRNA by peptide nucleic acids: a new strategy to interfere in the miRNA maturation (398 visite)
Artif Dna Pna Xnaartificial Dna Pna & Xna (ISSN: 1949-9096, 1949-0968, 1949-095x), 2012 Apr; 3(2): 88-96.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R
* Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (199 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.
Impact Factor: 9.907
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V
* Interplay between "neutral" and "charge-transfer" excimers rules the excited state decay in adenine-rich polynucleotides (203 visite)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2011 Dec 9; 50(50): 12016-12019.
Impact Factor: 13.455
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Musumeci D, Bucci EM, Pedone C
* Synthesis and characterization of a novel ester-based nucleoamino acid for the assembly of aromatic nucleopeptides for biomedical applications (425 visite)
Int J Pharm (ISSN: 0378-5173, 1873-3476), 2011 Sep 30; 415(1-2): 206-210.
Impact Factor: 3.35
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Musumeci D, Bucci EM, Pedone C
* Nucleobase-containing peptides: a spectroscopic study of their properties and nucleic acids recognition ability (342 visite)
Eur Biophys J (ISSN: 0175-7571, 1432-1017), 2011 Sep; 40: N/D-N/D.
Impact Factor: 2.139
Dettagli Esporta in BibTeX Esporta in EndNote
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 (244 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
Roviello GN, Ricci A, Bucci EM, Pedone C
* Synthesis, biological evaluation and supramolecular assembly of novel analogues of peptidyl nucleosides (831 visite)
Mol Biosyst (ISSN: 1742-206x, 1742-2051, 1742-2051electronic), 2011 May; 7(5): 1773-1778.
Impact Factor: 3.534
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 (273 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
Moccia M, Roviello GN, Bucci EM, Pedone C, Saviano M
* Synthesis of a l-lysine-based alternate alpha, epsilon-peptide: A novel linear polycation with nucleic acids-binding ability (381 visite)
Int J Pharm (ISSN: 0378-5173, 1873-3476), 2010 Sep 15; 397(1-2): 179-183.
Impact Factor: 3.607
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 (253 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
Roviello GN, Crescenzo C, Capasso D, Di Gaetano S, Franco S, Bucci EM, Pedone C
* Synthesis of a novel Fmoc-protected nucleoaminoacid for the solid phase assembly of 4-piperidyl glycine/L-arginine-containing nucleopeptides and preliminary RNA interaction studies (364 visite)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2010 Sep; 39(3): 795-800.
Impact Factor: 4.106
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Improta R, Markovitsi D
DNA/RNA: Building blocks of life under UV irradiation (232 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
D'Agata R, Corradini R, Ferretti C, Zanoli L, Gatti M, Marchelli R, Spoto G
* Ultrasensitive detection of non-amplified genomic DNA by nanoparticle-enhanced surface plasmon resonance imaging (263 visite)
Biosens Bioelectron (ISSN: 0956-5663, 1873-4235electronic), 2010 May 15; 25(9): 2095-2100.
Impact Factor: 5.361
Dettagli Esporta in BibTeX Esporta in EndNote
Orsi S, De Capua A, Guarnieri D, Marasco D, Netti PA
* Cell recruitment and transfection in gene activated collagen matrix (283 visite)
Biomaterials (ISSN: 0142-9612, 1878-5905electronic, 0142-9612linking), 2010 Jan; 31(3): 570-576.
Impact Factor: 7.883
Dettagli Esporta in BibTeX Esporta in EndNote
Roviello GN, Musumeci D, Pedone C, Bucci EM
* Synthesis, Characterization And Hybridization Studies Of An Alternate Nucleo-Epsilon/Gamma-Peptide: Complexes Formation With Natural Nucleic Acids (357 visite)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2010 Jan; 38(1): 103-111.
Impact Factor: 4.106
Dettagli Esporta in BibTeX Esporta in EndNote
D'Antò V, Michelotti A, Esposito L, Zagari A, Liguori R, Sacchetti L
* Nonsynonimous mutation of catechol-O-methyl-transferase (COMT) gene in a patient with temporomandibular disorder (246 visite)
J Sci Med Sport (ISSN: 1440-2440), 2010; 13(6): 174-179.
Impact Factor: 3.194
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 (242 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
Ruggiero A, Di Maro A, Severino V, Chambery A, Berisio R
* Crystal structure of PD-L1, a ribosome inactivating protein from Phytolacca dioica L. leaves with the property to induce DNA cleavage (353 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1135-1142.
Impact Factor: 2.605
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 (193 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
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 (251 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 (215 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
Merlino A, Varriale S, Coscia MR, Mazzarella L, Oreste U
* Structure and dimerization of the teleost transmembrane immunoglobulin region (302 visite)
Journal Of Molecular Graphics & Modelling (ISSN: 1093-3263), 2008 Oct; 27(3): 401-407.
Impact Factor: 2.347
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 (283 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
Roviello GN, Musumeci D, Bucci EM, Castiglione M, Cesarani A, Pedone C, Piccialli G
* Evidences for complex formation between l-dabPNA and aegPNA (255 visite)
Bioorg Med Chem Lett (ISSN: 0960-894x, 1464-3405, 1464-3405electronic), 2008 Sep 1; 18(17): 4757-4760.
Impact Factor: 2.531
Dettagli Esporta in BibTeX Esporta in EndNote
D'Agata R, Corradini R, Grasso G, Marchelli R, Spoto G
* Ultrasensitive detection of DNA by PNA and nanoparticle-enhanced surface plasmon resonance imaging (327 visite)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2008 Sep 1; 9(13): 2067-2070.
Impact Factor: 3.322
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 (190 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 (239 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 (323 visite)
Pharmacol Res Academic Press, 2008 Jun 23; 350(1-3): 1-2.
Impact Factor: 3.976
Dettagli Esporta in BibTeX Esporta in EndNote
Breveglieri G, Pensato S, Salvatori F, Saviano M, Pedone C, Romanelli A, Gambari R
* PNA-mediated alteration of mRNA splicing (273 visite)
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 175-181.
Impact Factor: 0.1
Dettagli Esporta in BibTeX Esporta in EndNote
Marchelli R, Saviano M, Licandro E, Spoto G, Borgatti M, Gambari R
* PNAs targeting the "RNA world": Micro RNA next? (327 visite)
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 183-188.
Impact Factor: 0.1
Dettagli Esporta in BibTeX Esporta in EndNote
Zanoli L, Dagata R, Spoto G
* Surface plasmon-based optical detection of DNA peptide nucleic acids (227 visite)
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 165-174.
Impact Factor: 0.1
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 (152 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 (214 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
Roviello GN, Musumeci D, Moccia M, Castiglione M, Sapio R, Valente M, Bucci EM, Perretta G, Pedone C
* Dabpna: Design, Synthesis And Nucleic Acids Binding Studies (366 visite)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(10-12): 1307-1310.
Impact Factor: 0.723
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Improta R
* Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations (205 visite)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007; 104(24): 9931-9936.
Impact Factor: 9.598
Dettagli Esporta in BibTeX Esporta in EndNote
Moccia M, Musumeci D, Valente M, Roviello GN, Sapio R, Pedone C, Bucci EM
* Thermodynamic studies on PNA and PNA/DNA dendrimer formation (200 visite)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(8-9): 1173-1176.
Impact Factor: 0.723
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 (196 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 (244 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
Roviello GN, Moccia M, Sapio R, Valente M, Bucci EM, Castiglione M, Pedone C, Perretta G, Benedetti E, Musumeci D
* Synthesis, Characterization And Hybridization Studies Of New Nucleo-Gamma-Peptides Based On Diaminobutyric Acid (416 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2006 Dec; 12(12): 829-835.
Impact Factor: 1.801
Dettagli Esporta in BibTeX Esporta in EndNote
Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (313 visite)
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.
Impact Factor: 3.247
Dettagli Esporta in BibTeX Esporta in EndNote
Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics (297 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.
Impact Factor: 3.166
Dettagli Esporta in BibTeX Esporta in EndNote
Barone V, Newton MD, Improta R
* Dissociative electron transfer in donor - Peptide - Acceptor systems: Results for kinetic parameters from a density functional/polarizable continuum model (224 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jun 29; 110(25): 12632-12639.
Impact Factor: 4.115
Dettagli Esporta in BibTeX Esporta in EndNote
Salvatore E, Varrone A, Sansone V, Nolano M, Bruni AC, De Rosa A, Santoro L, Pappata S, Filla A, De Michele G
* Characterization of nigrostriatal dysfunction in spinocerebellar ataxia 17 (262 visite)
Mov Disord (ISSN: 0885-3185, 1531-8257), 2006 Jun; 21(6): 872-875.
Impact Factor: 3.323
Dettagli Esporta in BibTeX Esporta in EndNote
Menchise V, De Simone G, Alterio V, Di Fiore A, Pedone C, Scozzafava A, Supuran CT
* Carbonic anhydrase inhibitors: Stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II (407 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2005 Sep 8; 48(18): 5721-5727.
Impact Factor: 4.926
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Antonello S, Formaggio F, Maran F, Rega N, Barone V
* Understanding Electron Transfer across Negatively-Charged Aib Oligopeptides (486 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2005 Jan 20; 109(2): 1023-1033.
Impact Factor: 4.033
Dettagli Esporta in BibTeX Esporta in EndNote
Borgatti M, Boyd DD, Lampronti I, Bianchi N, Fabbri E, Saviano M, Romanelli A, Pedone C, Gambari R
* Decoy molecules based on PNA-DNA chimeras and targeting Sp1 transcription factors inhibit the activity of urokinase-type plasminogen activator receptor (uPAR) promoter (332 visite)
Oncology Research (ISSN: 0965-0407), 2005; 15(7-8): 373-383.
Impact Factor: 1.844
Dettagli Esporta in BibTeX Esporta in EndNote
Borgatti M, Finotti A, Romanelli A, Saviano M, Bianchi N, Lampronti I, Lambertini E, Penolazzi L, Nastruzzi C, Mischiati C, Piva R, Pedone C, Gambari R
* Peptide nucleic acids (PNA)-DNA chimeras targeting transcription factors as a tool to modify gene expression (426 visite)
Curr Drug Targets (ISSN: 1389-4501), 2004 Nov; 5(8): 735-744.
Impact Factor: 4.104
Dettagli Esporta in BibTeX Esporta in EndNote
Cortesi R, Mischiati C, Borgatti M, Breda L, Romanelli A, Saviano M, Pedone C, Gambari R, Nastruzzi C
* Formulations for natural and peptide nucleic acids based on cationic polymeric submicron particles (322 visite)
The Aaps Journal (ISSN: 1522-1059, 1550-7416), 2004 Jan 20; 6(1): N/D-N/D.
Impact Factor: 1.938
Dettagli Esporta in BibTeX Esporta in EndNote
Barone V, Formaggio F, Improta R, Polo F, Maran F
* Electron transfer to and conformational preferences of Aib oligo-peptides (333 visite)
Proc Electrochem Soc, 2004; 10: 29-32.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Musumeci D, Roviello GN, Valente M, Sapio R, Pedone C, Bucci EM
* New synthesis of PNA-3′DNA linker monomers, useful building blocks to obtain PNA/DNA chimeras (369 visite)
Biopolymers, 2004; 76(6): 535-542.
Impact Factor: 2.248
Dettagli Esporta in BibTeX Esporta in EndNote
Borgatti M, Lampronti I, Romanelli A, Pedone C, Saviano M, Bianchi N, Mischiati C, Gambari R
* Transcription factor decoy molecules based on a peptide nucleic acid (PNA)-DNA chimera mimicking Sp1 binding sites (320 visite)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2003 Feb 28; 278(9): 7500-7509.
Impact Factor: 6.482
Dettagli Esporta in BibTeX Esporta in EndNote
Gambari R, Borgatti M, Romanelli A, Capasso D, Saviano M, Bianchi N, Lampronti I, Mischiati C, Pedone C
* Transcription factor decoy (TFD) activity of peptide nucleic acids (PNA)-DNA chimeras (204 visite)
International Journal Of Molecular Medicine (ISSN: 1107-3756), 2003; 12(Supplement1): N/D-N/D.
Impact Factor: 1.94
Dettagli Esporta in BibTeX Esporta in EndNote
Romanelli A, Pedone C, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
* Molecular interactions between nuclear factor κB (NF-κB) transcription factors and a PNA-DNA chimera mimicking NF-κB binding sites (315 visite)
Eur J Biochem (ISSN: 0014-2956, 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 2.849
Dettagli Esporta in BibTeX Esporta in EndNote
Romanelli A, Pedone C, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
* Molecular interactions with nuclear factor kappaB (NF-kappaB) transcription factors of a PNA-DNA chimera mimicking NF-kappaB binding sites (364 visite)
Eur J Biochem (ISSN: 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 4.779
Dettagli Esporta in BibTeX Esporta in EndNote
Adinolfi S, Piccoli R, Sica F, Mazzarella L
BS-RNase tetramers: An example of domain-swapped oligomers (360 visite)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 1996 Dec 2; 398(2-3): 326-332.
Impact Factor: 3.504
Dettagli Esporta in BibTeX Esporta in EndNote
Caraglia M, Tagliaferri P, Correale P, Genua G, Pinto A, Del Vecchio S, Esposito G, Bianco AR
CYTOSINE-ARABINOSIDE INCREASES THE BINDING OF I-125 LABELED EPIDERMAL GROWTH-FACTOR AND I-125 TRANSFERRIN AND ENHANCES THE IN-VITRO TARGETING OF HUMAN TUMOR-CELLS WITH ANTI-(GROWTH FACTOR-RECEPTOR) MAB (270 visite)
Cancer Immunol Immunother (ISSN: 0340-7004, 0340-7004linking), 1993 Sep; 37(3): 150-156.
Impact Factor: 1.269
Dettagli Esporta in BibTeX Esporta in EndNote
Caraglia M, Tagliaferri P, Correale P, Genua G, Pinto A, Del Vecchio S, Esposito G, Bianco AR
Cytosine arabinoside increases the binding of 125I-labelled epidermal growth factor and 125I-transferrin and enhances the in vitro targeting of human tumour cells with anti-(growth factor receptor) mAb (182 visite)
Cancer Immunol Immunother (ISSN: 0340-7004linking), 1993 Aug; 37 (3 ): 150-156.
Impact Factor: 4.293
Dettagli Esporta in BibTeX Esporta in EndNote
Caraglia M, Correale P, Genua G, Pepe S, Del Vecchio S, Esposito G, Bianco AR, Tagliaferri P
EPIDERMAL GROWTH-FACTOR (EGFR) AND TRANSFERRIN (TRFR) RECEPTOR UP-REGULATION IS INDUCED BY ARABINOSIDE CYTOSINE (ARA-C) ON HUMAN TUMOR-CELLS (193 visite)
Cancer Detection And Prevention (ISSN: 0361-090x), 1993; 17(2): 337-338.
Impact Factor: 0.838
Dettagli Esporta in BibTeX Esporta in EndNote
103 Records (98 escludendo Abstract e Conferenze).
Impact factor totale: 475.119 (462.689 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 481.646 (466.276 escludendo Abstract e Conferenze).
Impact factor totale: 475.119 (462.689 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 481.646 (466.276 escludendo Abstract e Conferenze).
Last modified by Ultima modifica di Marco Comerci on in data Sunday 12 July 2020, 13:15:03
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