Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case (276 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic, 0192-8651linking), 2008 Apr 30; 29(6): 957-964.
Export to BibTeX Export to EndNote
Paper type: Journal Article, Comparative Study,
Impact factor: 3.39, 5-year impact factor: 5.364
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-41549147727&partnerID=40&md5=23d21a3e3af53f7b66043cf8b5bb06c1
Keywords: 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:
*** 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:
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
(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
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 BibTeX Export to EndNote
Paper type: Journal Article, Comparative Study,
Impact factor: 3.39, 5-year impact factor: 5.364
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-41549147727&partnerID=40&md5=23d21a3e3af53f7b66043cf8b5bb06c1
Keywords: 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:
*** 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:
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
(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
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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Chemistry (ISSN: 0947-6539linking, 1521-3765electronic), 2021 Jul 26; 27(42): 10932-10940.
Impact Factor: 5.236
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Scognamiglio PL, Platella C, Napolitano E, Musumeci D, Roviello GN
* From Prebiotic Chemistry to Supramolecular Biomedical Materials: Exploring the Properties of Self-Assembling Nucleobase-Containing Peptides (28 views)
Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2021 Jun 10; 26(12): 3558-3558.
Impact Factor: 4.411
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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 (41 views)
J Chem Theory Comput (ISSN: 1549-9618linking, 1549-9626electronic), 2020 Sep 8; 16(9): 5792-5808.
Impact Factor: 5.313
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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 (181 views)
Chemistry (ISSN: 0947-6539linking, 1521-3765electronic), 2019 Nov 22; 25(65): 14850-14857.
Impact Factor: 5.476
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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 (152 views)
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 (136 views)
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 (742 views)
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018 Mar 26; 24(18): 4729-4735.
Impact Factor: 5.476
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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 (146 views)
Faraday Discussions, 2018; N/D: N/D-N/D.
Impact Factor: 3.427
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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 (620 views)
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 (279 views)
Biochem Bioph Res Co (ISSN: 0006-291x), 2017 Sep 15; N/D: N/D-N/D.
Impact Factor: 2.559
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Pepino AJ, Segarra-marti J, Nenov A, Improta R, Garavelli M
* Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides (294 views)
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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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 (178 views)
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 (272 views)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic, 1433-7851linking), 2016 Jun 8; N/D: N/D-N/D.
Impact Factor: 11.994
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Improta R, Santoro F, Blancafort L
* Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (835 views)
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 (503 views)
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 (373 views) (PDF 242 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2015 Jun 10; 137(22): 7059-7062.
Impact Factor: 13.038
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Improta R, Barone V
* Excited States behavior of nucleobases in solution: insights from computational studies (211 views)
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 (456 views)
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 (375 views)
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 (588 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207linking), 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 (379 views)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2015; 6(12): 2247-2251.
Impact Factor: 8.539
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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 (339 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
Impact Factor: 2.883
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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 (441 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(23): 6131-6139.
Impact Factor: 2.883
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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 (351 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Sep 12; 111(32): 11612-11617.
Impact Factor: 9.674
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Improta R
* Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex (345 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jun 23; 20(26): 8106-8115.
Impact Factor: 5.731
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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 (275 views)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2014 Jun 5; 5(11): 1806-1811.
Impact Factor: 7.458
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Roviello GN, Musumeci D, D'Alessandro C, Pedone C
* Binding ability of a thymine-functionalized oligolysine towards nucleic acids (347 views)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 0968-0896linking), 2014 Feb 1; 22(3): 997-1002.
Impact Factor: 2.793
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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 (590 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2014 Feb; 70(2): 362-370.
Impact Factor: 7.232
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Zanoli LM, Spoto G
* Isothermal amplification methods for the detection of nucleic acids in microfluidic devices (366 views)
Biosensors (ISSN: 2079-6374), 2013 Mar; 3(1): 18-43.
Impact Factor: 0
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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 (304 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.
Impact Factor: 5.696
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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 (358 views)
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) (495 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2013; 452(3): 545-557.
Impact Factor: 4.779
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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 (428 views)
Photochem Photobiol Sci (ISSN: 1474-905x), 2013; 12(8): 1527-1543.
Impact Factor: 2.939
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Improta R
* Photophysics and photochemistry of thymine deoxy-dinucleotide in water: A PCM/TD-DFT quantum mechanical study (305 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Dec 13; 116(49): 14261-14274.
Impact Factor: 3.607
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Roviello GN, Musumeci D, Bucci EM, Pedone C
* Synthesis of a diaminopropanoic acid-based nucleoamino acid and assembly of cationic nucleopeptides for biomedical applications (444 views)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2012 Dec; 43(6): 2537-2543.
Impact Factor: 3.914
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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 (431 views)
Amino Acids (ISSN: 1438-2199, 0939-4451, 1438-2199electronic), 2012 Oct; 43(4): 1615-1623.
Impact Factor: 3.914
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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 (360 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Impact Factor: 10.677
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Hua Y, Changenet-Barret P, Improta R, Vaya I, Gustavsson T, Kotlyar AB, Zikich D, Sket P, Plavec J, Markovitsi D
* Cation effect on the electronic excited states of guanine nanostructures studied by time-resolved fluorescence spectroscopy (394 views)
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.
Impact Factor: 4.814
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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 (519 views)
Artif Dna Pna Xnaartificial Dna Pna & Xna (ISSN: 1949-9096, 1949-0968, 1949-095x), 2012 Apr; 3(2): 88-96.
Impact Factor: 0
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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 (276 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.
Impact Factor: 9.907
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Improta R, Barone V
* Interplay between "neutral" and "charge-transfer" excimers rules the excited state decay in adenine-rich polynucleotides (348 views)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic, 1433-7851linking), 2011 Dec 9; 50(50): 12016-12019.
Impact Factor: 13.455
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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 (529 views)
Int J Pharm (ISSN: 0378-5173, 1873-3476), 2011 Sep 30; 415(1-2): 206-210.
Impact Factor: 3.35
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Roviello GN, Musumeci D, Bucci EM, Pedone C
* Nucleobase-containing peptides: a spectroscopic study of their properties and nucleic acids recognition ability (394 views)
Eur Biophys J (ISSN: 0175-7571, 1432-1017, 0175-7571linking), 2011 Sep; 40: N/D-N/D.
Impact Factor: 2.139
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Picconi D, Barone V, Lami A, Santoro F, Improta R
* The Interplay between ππ*/nπ* excited states in gas-phase thymine: A quantum dynamical study (270 views)
Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-7641electronic), 2011 Jul 11; 12(10): 1957-1968.
Impact Factor: 3.412
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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 (350 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Oct 7; 114(39): 12708-12719.
Impact Factor: 3.603
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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 (464 views)
Int J Pharm (ISSN: 0378-5173, 1873-3476), 2010 Sep 15; 397(1-2): 179-183.
Impact Factor: 3.607
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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 (280 views)
J Phys Chem C (ISSN: 1932-7447), 2010 Sep 2; 114(34): 14339-14346.
Impact Factor: 4.524
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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 (464 views)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2010 Sep; 39(3): 795-800.
Impact Factor: 4.106
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Gustavsson T, Improta R, Markovitsi D
DNA/RNA: Building blocks of life under UV irradiation (258 views)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2010 Jul 1; 1(13): 2025-2030.
Impact Factor: 6.687
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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 (422 views)
Biosens Bioelectron (ISSN: 0956-5663, 1873-4235electronic), 2010 May 15; 25(9): 2095-2100.
Impact Factor: 5.361
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Orsi S, De Capua A, Guarnieri D, Marasco D, Netti PA
* Cell recruitment and transfection in gene activated collagen matrix (381 views)
Biomaterials (ISSN: 0142-9612, 1878-5905electronic, 0142-9612linking), 2010 Jan; 31(3): 570-576.
Impact Factor: 7.883
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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 (449 views)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2010 Jan; 38(1): 103-111.
Impact Factor: 4.106
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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 (270 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking), 2009 Dec 31; 113(52): 15346-15354.
Impact Factor: 2.899
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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 (411 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1135-1142.
Impact Factor: 2.605
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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 (219 views)
J Mol Struct Theochem (ISSN: 0166-1280), 2009 Nov 30; 914(1-3): 87-93.
Impact Factor: 1.216
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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 (278 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.
Impact Factor: 8.58
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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 (241 views)
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 (362 views)
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 (343 views)
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 (302 views)
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 (412 views)
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 (215 views)
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 (286 views)
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 (365 views)
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 (345 views)
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? (399 views)
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 (258 views)
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 165-174.
Impact Factor: 0.1
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Improta R
The Excited States Of Pi-Stacked 9-Methyl Adenine Oligomers: A Td-Dft Study In Aqueous Solution (178 views)
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 (243 views)
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 (413 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(10-12): 1307-1310.
Impact Factor: 0.723
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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 (240 views)
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 (225 views)
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 (400 views)
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 (478 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2006 Dec; 12(12): 829-835.
Impact Factor: 1.801
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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 (247 views)
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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Improta R, Antonello S, Formaggio F, Maran F, Rega N, Barone V
* Understanding Electron Transfer across Negatively-Charged Aib Oligopeptides (575 views)
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 (438 views)
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 (478 views)
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 (393 views)
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 (385 views)
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 (429 views)
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 (490 views)
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 (249 views)
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 (431 views)
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 (436 views)
Eur J Biochem (ISSN: 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 4.779
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* Exploring the relationship between G-quadruplex nucleic acids and plants: from plant G-quadruplex function to phytochemical G4 ligands with pharmaceutic potential (8 views)
Pharmaceutics, 2022 Nov 4; N/D: N/D-N/D.
Impact Factor: 6.525
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Mosseri A, Sancho-albero M, Leone M, Nava D, Secundo F, Maggioni D, De Cola L, Romanelli A
* Chiral Fibers Formation Upon Assembly of Tetraphenylalanine Peptide Conjugated to a PNA Dimer (2 views)
Chemistry (ISSN: 0947-6539linking), 2022 Jul 1; 28 (37 ): e202200693-N/D.
Impact Factor:
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Borbone N, Piccialli I, Falanga AP, Piccialli V, Roviello GN, Oliviero G
* Nucleic Acids as Biotools at the Interface between Chemistry and Nanomedicine in the COVID-19 Era (33 views)
International Journal Of Molecular Sciences, 2022 Jun; 23: 4359-4375.
Impact Factor: 5.924
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Greco F, Musumeci D, Borbone N, Falanga AP, D , #xerrico S, Terracciano M, Piccialli I, Roviello GN, Oliviero G
* Exploring the Parallel G-Quadruplex Nucleic Acid World: A Spectroscopic and Computational Investigation on the Binding of the c-myc Oncogene NHE III1 Region by the Phytochemical Polydatin (24 views)
Molecules (ISSN: 1420-3049linking), 2022 May 7; 27(9): 2997-3006.
Impact Factor: 4.412
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Asha H, Green JA, Martinez-fernandez L, Esposito L, Improta R
* Electronic Circular Dichroism Spectra of DNA Quadruple Helices Studied by Molecular Dynamics Simulations and Excitonic Calculations including Charge Transfer States (13 views)
Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2021 Aug 7; 26(16): N/D-N/D.
Impact Factor: 4.411
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Wang X, Martínez-fernández L, Zhang Y, Zhang K, Improta R, Kohler B, Xu J, Chen J
* Solvent-Dependent Stabilization of a Charge Transfer State is the Key to Ultrafast Triplet State Formation in an Epigenetic DNA Nucleoside (12 views)
Chemistry (ISSN: 0947-6539linking, 1521-3765electronic), 2021 Jul 26; 27(42): 10932-10940.
Impact Factor: 5.236
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Scognamiglio PL, Platella C, Napolitano E, Musumeci D, Roviello GN
* From Prebiotic Chemistry to Supramolecular Biomedical Materials: Exploring the Properties of Self-Assembling Nucleobase-Containing Peptides (28 views)
Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2021 Jun 10; 26(12): 3558-3558.
Impact Factor: 4.411
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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 (41 views)
J Chem Theory Comput (ISSN: 1549-9618linking, 1549-9626electronic), 2020 Sep 8; 16(9): 5792-5808.
Impact Factor: 5.313
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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 (181 views)
Chemistry (ISSN: 0947-6539linking, 1521-3765electronic), 2019 Nov 22; 25(65): 14850-14857.
Impact Factor: 5.476
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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 (152 views)
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 (136 views)
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 (742 views)
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018 Mar 26; 24(18): 4729-4735.
Impact Factor: 5.476
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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 (146 views)
Faraday Discussions, 2018; N/D: N/D-N/D.
Impact Factor: 3.427
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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 (620 views)
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 (279 views)
Biochem Bioph Res Co (ISSN: 0006-291x), 2017 Sep 15; N/D: N/D-N/D.
Impact Factor: 2.559
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Pepino AJ, Segarra-marti J, Nenov A, Improta R, Garavelli M
* Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides (294 views)
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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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 (178 views)
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 (272 views)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic, 1433-7851linking), 2016 Jun 8; N/D: N/D-N/D.
Impact Factor: 11.994
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Improta R, Santoro F, Blancafort L
* Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (835 views)
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 (503 views)
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 (373 views) (PDF 242 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2015 Jun 10; 137(22): 7059-7062.
Impact Factor: 13.038
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Improta R, Barone V
* Excited States behavior of nucleobases in solution: insights from computational studies (211 views)
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 (456 views)
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 (375 views)
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 (588 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207linking), 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 (379 views)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2015; 6(12): 2247-2251.
Impact Factor: 8.539
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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 (339 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
Impact Factor: 2.883
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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 (441 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(23): 6131-6139.
Impact Factor: 2.883
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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 (351 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Sep 12; 111(32): 11612-11617.
Impact Factor: 9.674
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Improta R
* Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex (345 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jun 23; 20(26): 8106-8115.
Impact Factor: 5.731
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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 (275 views)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2014 Jun 5; 5(11): 1806-1811.
Impact Factor: 7.458
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Roviello GN, Musumeci D, D'Alessandro C, Pedone C
* Binding ability of a thymine-functionalized oligolysine towards nucleic acids (347 views)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 0968-0896linking), 2014 Feb 1; 22(3): 997-1002.
Impact Factor: 2.793
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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 (590 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2014 Feb; 70(2): 362-370.
Impact Factor: 7.232
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Zanoli LM, Spoto G
* Isothermal amplification methods for the detection of nucleic acids in microfluidic devices (366 views)
Biosensors (ISSN: 2079-6374), 2013 Mar; 3(1): 18-43.
Impact Factor: 0
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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 (304 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.
Impact Factor: 5.696
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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 (358 views)
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) (495 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2013; 452(3): 545-557.
Impact Factor: 4.779
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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 (428 views)
Photochem Photobiol Sci (ISSN: 1474-905x), 2013; 12(8): 1527-1543.
Impact Factor: 2.939
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Improta R
* Photophysics and photochemistry of thymine deoxy-dinucleotide in water: A PCM/TD-DFT quantum mechanical study (305 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Dec 13; 116(49): 14261-14274.
Impact Factor: 3.607
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Roviello GN, Musumeci D, Bucci EM, Pedone C
* Synthesis of a diaminopropanoic acid-based nucleoamino acid and assembly of cationic nucleopeptides for biomedical applications (444 views)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2012 Dec; 43(6): 2537-2543.
Impact Factor: 3.914
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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 (431 views)
Amino Acids (ISSN: 1438-2199, 0939-4451, 1438-2199electronic), 2012 Oct; 43(4): 1615-1623.
Impact Factor: 3.914
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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 (360 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Impact Factor: 10.677
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Hua Y, Changenet-Barret P, Improta R, Vaya I, Gustavsson T, Kotlyar AB, Zikich D, Sket P, Plavec J, Markovitsi D
* Cation effect on the electronic excited states of guanine nanostructures studied by time-resolved fluorescence spectroscopy (394 views)
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.
Impact Factor: 4.814
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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 (519 views)
Artif Dna Pna Xnaartificial Dna Pna & Xna (ISSN: 1949-9096, 1949-0968, 1949-095x), 2012 Apr; 3(2): 88-96.
Impact Factor: 0
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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 (276 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.
Impact Factor: 9.907
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Improta R, Barone V
* Interplay between "neutral" and "charge-transfer" excimers rules the excited state decay in adenine-rich polynucleotides (348 views)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic, 1433-7851linking), 2011 Dec 9; 50(50): 12016-12019.
Impact Factor: 13.455
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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 (529 views)
Int J Pharm (ISSN: 0378-5173, 1873-3476), 2011 Sep 30; 415(1-2): 206-210.
Impact Factor: 3.35
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Roviello GN, Musumeci D, Bucci EM, Pedone C
* Nucleobase-containing peptides: a spectroscopic study of their properties and nucleic acids recognition ability (394 views)
Eur Biophys J (ISSN: 0175-7571, 1432-1017, 0175-7571linking), 2011 Sep; 40: N/D-N/D.
Impact Factor: 2.139
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Picconi D, Barone V, Lami A, Santoro F, Improta R
* The Interplay between ππ*/nπ* excited states in gas-phase thymine: A quantum dynamical study (270 views)
Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-7641electronic), 2011 Jul 11; 12(10): 1957-1968.
Impact Factor: 3.412
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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 (350 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Oct 7; 114(39): 12708-12719.
Impact Factor: 3.603
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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 (464 views)
Int J Pharm (ISSN: 0378-5173, 1873-3476), 2010 Sep 15; 397(1-2): 179-183.
Impact Factor: 3.607
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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 (280 views)
J Phys Chem C (ISSN: 1932-7447), 2010 Sep 2; 114(34): 14339-14346.
Impact Factor: 4.524
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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 (464 views)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2010 Sep; 39(3): 795-800.
Impact Factor: 4.106
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Gustavsson T, Improta R, Markovitsi D
DNA/RNA: Building blocks of life under UV irradiation (258 views)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2010 Jul 1; 1(13): 2025-2030.
Impact Factor: 6.687
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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 (422 views)
Biosens Bioelectron (ISSN: 0956-5663, 1873-4235electronic), 2010 May 15; 25(9): 2095-2100.
Impact Factor: 5.361
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Orsi S, De Capua A, Guarnieri D, Marasco D, Netti PA
* Cell recruitment and transfection in gene activated collagen matrix (381 views)
Biomaterials (ISSN: 0142-9612, 1878-5905electronic, 0142-9612linking), 2010 Jan; 31(3): 570-576.
Impact Factor: 7.883
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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 (449 views)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2010 Jan; 38(1): 103-111.
Impact Factor: 4.106
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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 (270 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking), 2009 Dec 31; 113(52): 15346-15354.
Impact Factor: 2.899
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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 (411 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1135-1142.
Impact Factor: 2.605
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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 (219 views)
J Mol Struct Theochem (ISSN: 0166-1280), 2009 Nov 30; 914(1-3): 87-93.
Impact Factor: 1.216
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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 (278 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.
Impact Factor: 8.58
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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 (241 views)
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 (362 views)
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 (343 views)
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 (302 views)
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 (412 views)
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 (215 views)
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 (286 views)
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 (365 views)
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 (345 views)
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? (399 views)
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 (258 views)
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 165-174.
Impact Factor: 0.1
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Improta R
The Excited States Of Pi-Stacked 9-Methyl Adenine Oligomers: A Td-Dft Study In Aqueous Solution (178 views)
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 (243 views)
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 (413 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(10-12): 1307-1310.
Impact Factor: 0.723
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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 (240 views)
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 (225 views)
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 (400 views)
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 (478 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2006 Dec; 12(12): 829-835.
Impact Factor: 1.801
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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 (247 views)
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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Improta R, Antonello S, Formaggio F, Maran F, Rega N, Barone V
* Understanding Electron Transfer across Negatively-Charged Aib Oligopeptides (575 views)
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 (438 views)
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 (478 views)
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 (393 views)
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 (385 views)
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 (429 views)
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 (490 views)
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 (249 views)
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 (431 views)
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 (436 views)
Eur J Biochem (ISSN: 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 4.779
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90 Records (87 excluding Abstracts).
Total impact factor: 428.064 (422.047 excluding Abstracts).
Total 5 year impact factor: 427.728 (418.543 excluding Abstracts).
Total impact factor: 428.064 (422.047 excluding Abstracts).
Total 5 year impact factor: 427.728 (418.543 excluding Abstracts).
276 views. Last view on Saturday 14 January 2023, 13:11:07
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