Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (240 views visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.
Export to Esporta in BibTeX Export to Esporta in EndNote
Paper type Tipo di articolo: Journal Article,
Impact factor: 5.696, 5-year impact factor Impact factor a 5 anni: 5.608
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84874615685&partnerID=40&md5=c9d0673277a73d5ff01df147b40da513
Keywords Parole chiave: Charge Transfer, Dna Excited States, Excitons, Fluorescence Spectroscopy, Quantum Mechanical Calculations, Charge Transfer State, Degree Of Localization, Dft Calculation, Dominant Species, Electronic Transition, Excited State Relaxation, Exciton State, Experimental Observation, Femtoseconds, Fluorescence Anisotropy Decay, Fluorescence Behaviors, Fluorescence Decays, Model System, Quantum-Mechanical Calculation, Singlet Excited State, Spectral Domains, Spectroscopic Signatures, Sub Nanoseconds, Theoretical And Experimental, Theoretical Investigations, Time-Dependent, Time-Resolved Fluorescence Spectra, Time-Scales, Decay (organic), Density Functional Theory, Oligomers, Solutions, Ultraviolet Radiation, Adenine, Water, Article, Chemical Structure, Chemistry, Quantum Theory, Solution And Solubility, Ultraviolet Spectrophotometry, Molecular, Time Factors,
Affiliations Affiliazioni:
*** IBB - CNR ***
CNRS, IRAMIS, Laboratoire Francis Perrin, 91191 Gif-sur-Yvette, France
Instituto Biostrutture e Biommagini-CNR, Via Mezzocannone 16, 80134 Napoli, Italy
References Riferimenti:
Middleton, C.T., De La Harpe, K., Su, C., Law, U.K., Crespo-Hernández, C.E., Kohler, B., (2009) Ann. Rev. Phys. Chem., 60, pp. 217-23
Markovitsi, D., Gustavsson, T., Vayá, I., (2010) J. Phys. Chem. Lett., 1, pp. 3271-3276
Kohler, B., (2010) J. Phys. Chem. Lett., 1, pp. 2047-2053
Gustavsson, T., Improta, R., Markovitsi, D., (2010) J. Phys. Chem. Lett., 1, pp. 2025-2030
Markovitsi, D., Sharonov, A., Onidas, D., Gustavsson, T., (2003) ChemPhysChem, 4, pp. 303-305
Markovitsi, D., Talbot, F., Gustavsson, T., Onidas, D., Lazzarotto, E., Marguet, S., (2006) Nature, 441, p. 7. , EE 7
Kwok, W.M., Ma, C.S., Phillips, D.L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905
Schwalb, N.K., Temps, F., (2008) Science, 322, pp. 243-245
Stuhldreier, M.C., (2011) Ultrafast Phenomena XVII, pp. 553-555. , (Eds.: M. Chergui, D. M. Jonas, E. Riedle, R. W. Schoenlein, A. J. Taylor), Oxford University Press, Oxford
Buchvarov, I., Wang, Q., Raytchev, M., Trifonov, A., Fiebig, T., (2007) Proc. Natl. Acad. Sci. USA, 104, pp. 4794-4797
Nachtigallová, D., Zeleny, T., Ruckenbauer, M., Muller, T., Barbatti, M., Hobza, P., Lischka, H., (2010) J. Am. Chem. Soc., 132, pp. 8261-8263
Miannay, F.-A., Banyasz, A., Gustavsson, T., Markovitsi, D., (2007) J. Am. Chem. Soc., 129, p. 14574
Vayá, I., Gustavsson, T., Douki, T., Berlin, Y., Markovitsi, D., (2012) J. Am. Chem. Soc., 134, pp. 11366-11368
Takaya, T., Su, C., De La Harpe, K., Crespo-Hernandez, C.E., Kohler, B., (2008) Proc. Natl. Acad. Sci. USA, 105, pp. 10285-10290
Banyasz, A., Vaya, I., Changenet-Barret, P., Gustavsson, T., Douki, T., Markovitsi, D., (2011) J. Am. Chem. Soc., 133, pp. 5163-5165
Riley, M., Maling, B., Mj, C., (1966) J. Mol. Biol., 20, pp. 359-389
Santoro, F., Barone, V., Improta, R., (2007) Proc. Natl. Acad. Sci. USA, 104, pp. 9931-9936
Lange, A.W., Herbert, J.M., (2009) J. Am. Chem. Soc., 131, pp. 3913-3922
Olaso-Gonzàlez, G., Merchan, M., Serrano-Andres, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377
Lu, Y., Lan, Z.G., Thiel, W., (2011) Angew. Chem., 123, pp. 6996-6999
(2011) Angew. Chem. Int. Ed., 50, pp. 6864-6867
Conti, I., Altoe, P., Stenta, M., Garavelli, M., Orlandi, G., (2010) Phys. Chem. Chem. Phys., 12, pp. 5016-5023
Improta, R., Barone, V., (2011) Angew. Chem., 123, pp. 12222-12225
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev., 105, pp. 2999-3093
Perun, S., Sobolewski, A.L., Domcke, W., (2005) J. Am. Chem. Soc., 127, pp. 6257-6265
Blancafort, L., (2006) J. Am. Chem. Soc., 128, pp. 210-219
Barbatti, M., Lischka, H., (2008) J. Am. Chem. Soc., 130, pp. 6831-6839
Hassan, W.M.I., Chung, W.C., Shimakura, N., Koseki, S., Kono, H., Fujimura, Y., (2010) Phys. Chem. Chem. Phys., 12, pp. 5317-5328
Fabiano, E., Thiel, W., (2008) J. Phys. Chem. A, 112, pp. 6859-6863
Lan, Z., Lu, Y., Fabiano, E., Thiel, W., (2011) ChemPhysChem, 12, pp. 1989-1998
Caruso, P., Causa, M., Cimino, P., Crescenzi, O., Damore, M., Improta, R., Pavone, M., Rega, N., (2012) Theor. Chem. Acc., p. 131
Conti, I., Garavelli, M., Orlandi, G., (2009) J. Am. Chem. Soc., 131, pp. 16108-16118
Barbatti, M., Aquino, A.J.A., Szymczak, J.J., Nachtigallova, D., Hobza, P., Lischka, H., (2010) Proc. Natl. Acad. Sci. USA, 107, pp. 21453-21458
Barone, V., (2011) Computational Strategies for Spectroscopy: From Small Molecules to Nano Systems, , in, Wiley, New York
Improta, R., (2008) Phys. Chem. Chem. Phys., 10, pp. 2656-2664
Dreuw, A., Head-Gordon, M., (2005) Chem. Rev., 105, pp. 4009-4037
Zhao, Y., Truhlar, D.G., (2008) Acc. Chem. Res., 41, pp. 157-167
Zhao, Y., Schultz, N.E., Truhlar, D.G., (2006) J. Chem. Theory Comput., 2, pp. 364-382
Aquino, A.J.A., Nachtigallova, D., Hobza, P., Truhlar, D.G., Haettig, C., Lischka, H., (2011) J. Comput. Chem., 32, pp. 1217-1227
Improta, R., Scalmani, G., Frisch, M.J., Barone, V., (2007) J. Chem. Phys., 127, p. 74504
Kim, S.K., Nielsen, P.E., Egholm, M., Buchardt, O., Berg, R.H., Norden, B., (1993) J. Am. Chem. Soc., 115, pp. 6477-6481
Avila Ferrer, F.J., Improta, R., Santoro, F., Barone, V., (2011) Phys. Chem. Chem. Phys., 13, pp. 17007-17012
Onidas, D., Markovitsi, D., Marguet, S., Sharonov, A., Gustavsson, T., (2002) J. Phys. Chem. B, 106, pp. 11367-11374
Markovitsi, D., Onidas, D., Gustavsson, T., Talbot, F., Lazzarotto, E., (2005) J. Am. Chem. Soc., 127, pp. 17130-17131
Chandrasekaran, R., Radha, A., Park, H.S., (1995) Acta Crystallogr. Sect. D, 51, pp. 1025-1035
Cossi, M., Barone, V., (2001) J. Chem. Phys., 115, pp. 4708-4717
Marcus, R.A., (1963) J. Chem. Phys., 38, pp. 1335-1340
Frisch, M.J., (2009) Gaussian 09, Revision A.1, , Gaussian, Inc., Wallingford CT
Gustavsson, T., Banyasz, A., Lazzarotto, E., Markovitsi, D., Scalmani, G., Frisch, M.J., Barone, V., Improta, R., (2006) J. Am. Chem. Soc., 128, pp. 607-619
Middleton, C. T., De La Harpe, K., Su, C., Law, U. K., Crespo-Hern ndez, C. E., Kohler, B., (2009) Ann. Rev. Phys. Chem., 60, pp. 217-23
Kwok, W. M., Ma, C. S., Phillips, D. L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905
Schwalb, N. K., Temps, F., (2008) Science, 322, pp. 243-245
Stuhldreier, M. C., (2011) Ultrafast Phenomena XVII, pp. 553-555. , (Eds.: M. Chergui, D. M. Jonas, E. Riedle, R. W. Schoenlein, A. J. Taylor), Oxford University Press, Oxford
Nachtigallov, D., Zeleny, T., Ruckenbauer, M., Muller, T., Barbatti, M., Hobza, P., Lischka, H., (2010) J. Am. Chem. Soc., 132, pp. 8261-8263
Miannay, F. -A., Banyasz, A., Gustavsson, T., Markovitsi, D., (2007) J. Am. Chem. Soc., 129, p. 14574
Vay, I., Gustavsson, T., Douki, T., Berlin, Y., Markovitsi, D., (2012) J. Am. Chem. Soc., 134, pp. 11366-11368
Lange, A. W., Herbert, J. M., (2009) J. Am. Chem. Soc., 131, pp. 3913-3922
Olaso-Gonz lez, G., Merchan, M., Serrano-Andres, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377
Lu, Y., Lan, Z. G., Thiel, W., (2011) Angew. Chem., 123, pp. 6996-6999
Hassan, W. M. I., Chung, W. C., Shimakura, N., Koseki, S., Kono, H., Fujimura, Y., (2010) Phys. Chem. Chem. Phys., 12, pp. 5317-5328
Aquino, A. J. A., Nachtigallova, D., Hobza, P., Truhlar, D. G., Haettig, C., Lischka, H., (2011) J. Comput. Chem., 32, pp. 1217-1227
Kim, S. K., Nielsen, P. E., Egholm, M., Buchardt, O., Berg, R. H., Norden, B., (1993) J. Am. Chem. Soc., 115, pp. 6477-6481
Avila Ferrer, F. J., Improta, R., Santoro, F., Barone, V., (2011) Phys. Chem. Chem. Phys., 13, pp. 17007-17012
Marcus, R. A., (1963) J. Chem. Phys., 38, pp. 1335-1340
Frisch, M. J., (2009) Gaussian 09, Revision A. 1, , Gaussian, Inc., Wallingford CT
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.
Export to Esporta in BibTeX Export to Esporta in EndNote
Paper type Tipo di articolo: Journal Article,
Impact factor: 5.696, 5-year impact factor Impact factor a 5 anni: 5.608
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84874615685&partnerID=40&md5=c9d0673277a73d5ff01df147b40da513
Keywords Parole chiave: Charge Transfer, Dna Excited States, Excitons, Fluorescence Spectroscopy, Quantum Mechanical Calculations, Charge Transfer State, Degree Of Localization, Dft Calculation, Dominant Species, Electronic Transition, Excited State Relaxation, Exciton State, Experimental Observation, Femtoseconds, Fluorescence Anisotropy Decay, Fluorescence Behaviors, Fluorescence Decays, Model System, Quantum-Mechanical Calculation, Singlet Excited State, Spectral Domains, Spectroscopic Signatures, Sub Nanoseconds, Theoretical And Experimental, Theoretical Investigations, Time-Dependent, Time-Resolved Fluorescence Spectra, Time-Scales, Decay (organic), Density Functional Theory, Oligomers, Solutions, Ultraviolet Radiation, Adenine, Water, Article, Chemical Structure, Chemistry, Quantum Theory, Solution And Solubility, Ultraviolet Spectrophotometry, Molecular, Time Factors,
Affiliations Affiliazioni:
*** IBB - CNR ***
CNRS, IRAMIS, Laboratoire Francis Perrin, 91191 Gif-sur-Yvette, France
Instituto Biostrutture e Biommagini-CNR, Via Mezzocannone 16, 80134 Napoli, Italy
References Riferimenti:
Middleton, C.T., De La Harpe, K., Su, C., Law, U.K., Crespo-Hernández, C.E., Kohler, B., (2009) Ann. Rev. Phys. Chem., 60, pp. 217-23
Markovitsi, D., Gustavsson, T., Vayá, I., (2010) J. Phys. Chem. Lett., 1, pp. 3271-3276
Kohler, B., (2010) J. Phys. Chem. Lett., 1, pp. 2047-2053
Gustavsson, T., Improta, R., Markovitsi, D., (2010) J. Phys. Chem. Lett., 1, pp. 2025-2030
Markovitsi, D., Sharonov, A., Onidas, D., Gustavsson, T., (2003) ChemPhysChem, 4, pp. 303-305
Markovitsi, D., Talbot, F., Gustavsson, T., Onidas, D., Lazzarotto, E., Marguet, S., (2006) Nature, 441, p. 7. , EE 7
Kwok, W.M., Ma, C.S., Phillips, D.L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905
Schwalb, N.K., Temps, F., (2008) Science, 322, pp. 243-245
Stuhldreier, M.C., (2011) Ultrafast Phenomena XVII, pp. 553-555. , (Eds.: M. Chergui, D. M. Jonas, E. Riedle, R. W. Schoenlein, A. J. Taylor), Oxford University Press, Oxford
Buchvarov, I., Wang, Q., Raytchev, M., Trifonov, A., Fiebig, T., (2007) Proc. Natl. Acad. Sci. USA, 104, pp. 4794-4797
Nachtigallová, D., Zeleny, T., Ruckenbauer, M., Muller, T., Barbatti, M., Hobza, P., Lischka, H., (2010) J. Am. Chem. Soc., 132, pp. 8261-8263
Miannay, F.-A., Banyasz, A., Gustavsson, T., Markovitsi, D., (2007) J. Am. Chem. Soc., 129, p. 14574
Vayá, I., Gustavsson, T., Douki, T., Berlin, Y., Markovitsi, D., (2012) J. Am. Chem. Soc., 134, pp. 11366-11368
Takaya, T., Su, C., De La Harpe, K., Crespo-Hernandez, C.E., Kohler, B., (2008) Proc. Natl. Acad. Sci. USA, 105, pp. 10285-10290
Banyasz, A., Vaya, I., Changenet-Barret, P., Gustavsson, T., Douki, T., Markovitsi, D., (2011) J. Am. Chem. Soc., 133, pp. 5163-5165
Riley, M., Maling, B., Mj, C., (1966) J. Mol. Biol., 20, pp. 359-389
Santoro, F., Barone, V., Improta, R., (2007) Proc. Natl. Acad. Sci. USA, 104, pp. 9931-9936
Lange, A.W., Herbert, J.M., (2009) J. Am. Chem. Soc., 131, pp. 3913-3922
Olaso-Gonzàlez, G., Merchan, M., Serrano-Andres, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377
Lu, Y., Lan, Z.G., Thiel, W., (2011) Angew. Chem., 123, pp. 6996-6999
(2011) Angew. Chem. Int. Ed., 50, pp. 6864-6867
Conti, I., Altoe, P., Stenta, M., Garavelli, M., Orlandi, G., (2010) Phys. Chem. Chem. Phys., 12, pp. 5016-5023
Improta, R., Barone, V., (2011) Angew. Chem., 123, pp. 12222-12225
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev., 105, pp. 2999-3093
Perun, S., Sobolewski, A.L., Domcke, W., (2005) J. Am. Chem. Soc., 127, pp. 6257-6265
Blancafort, L., (2006) J. Am. Chem. Soc., 128, pp. 210-219
Barbatti, M., Lischka, H., (2008) J. Am. Chem. Soc., 130, pp. 6831-6839
Hassan, W.M.I., Chung, W.C., Shimakura, N., Koseki, S., Kono, H., Fujimura, Y., (2010) Phys. Chem. Chem. Phys., 12, pp. 5317-5328
Fabiano, E., Thiel, W., (2008) J. Phys. Chem. A, 112, pp. 6859-6863
Lan, Z., Lu, Y., Fabiano, E., Thiel, W., (2011) ChemPhysChem, 12, pp. 1989-1998
Caruso, P., Causa, M., Cimino, P., Crescenzi, O., Damore, M., Improta, R., Pavone, M., Rega, N., (2012) Theor. Chem. Acc., p. 131
Conti, I., Garavelli, M., Orlandi, G., (2009) J. Am. Chem. Soc., 131, pp. 16108-16118
Barbatti, M., Aquino, A.J.A., Szymczak, J.J., Nachtigallova, D., Hobza, P., Lischka, H., (2010) Proc. Natl. Acad. Sci. USA, 107, pp. 21453-21458
Barone, V., (2011) Computational Strategies for Spectroscopy: From Small Molecules to Nano Systems, , in, Wiley, New York
Improta, R., (2008) Phys. Chem. Chem. Phys., 10, pp. 2656-2664
Dreuw, A., Head-Gordon, M., (2005) Chem. Rev., 105, pp. 4009-4037
Zhao, Y., Truhlar, D.G., (2008) Acc. Chem. Res., 41, pp. 157-167
Zhao, Y., Schultz, N.E., Truhlar, D.G., (2006) J. Chem. Theory Comput., 2, pp. 364-382
Aquino, A.J.A., Nachtigallova, D., Hobza, P., Truhlar, D.G., Haettig, C., Lischka, H., (2011) J. Comput. Chem., 32, pp. 1217-1227
Improta, R., Scalmani, G., Frisch, M.J., Barone, V., (2007) J. Chem. Phys., 127, p. 74504
Kim, S.K., Nielsen, P.E., Egholm, M., Buchardt, O., Berg, R.H., Norden, B., (1993) J. Am. Chem. Soc., 115, pp. 6477-6481
Avila Ferrer, F.J., Improta, R., Santoro, F., Barone, V., (2011) Phys. Chem. Chem. Phys., 13, pp. 17007-17012
Onidas, D., Markovitsi, D., Marguet, S., Sharonov, A., Gustavsson, T., (2002) J. Phys. Chem. B, 106, pp. 11367-11374
Markovitsi, D., Onidas, D., Gustavsson, T., Talbot, F., Lazzarotto, E., (2005) J. Am. Chem. Soc., 127, pp. 17130-17131
Chandrasekaran, R., Radha, A., Park, H.S., (1995) Acta Crystallogr. Sect. D, 51, pp. 1025-1035
Cossi, M., Barone, V., (2001) J. Chem. Phys., 115, pp. 4708-4717
Marcus, R.A., (1963) J. Chem. Phys., 38, pp. 1335-1340
Frisch, M.J., (2009) Gaussian 09, Revision A.1, , Gaussian, Inc., Wallingford CT
Gustavsson, T., Banyasz, A., Lazzarotto, E., Markovitsi, D., Scalmani, G., Frisch, M.J., Barone, V., Improta, R., (2006) J. Am. Chem. Soc., 128, pp. 607-619
Middleton, C. T., De La Harpe, K., Su, C., Law, U. K., Crespo-Hern ndez, C. E., Kohler, B., (2009) Ann. Rev. Phys. Chem., 60, pp. 217-23
Kwok, W. M., Ma, C. S., Phillips, D. L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905
Schwalb, N. K., Temps, F., (2008) Science, 322, pp. 243-245
Stuhldreier, M. C., (2011) Ultrafast Phenomena XVII, pp. 553-555. , (Eds.: M. Chergui, D. M. Jonas, E. Riedle, R. W. Schoenlein, A. J. Taylor), Oxford University Press, Oxford
Nachtigallov, D., Zeleny, T., Ruckenbauer, M., Muller, T., Barbatti, M., Hobza, P., Lischka, H., (2010) J. Am. Chem. Soc., 132, pp. 8261-8263
Miannay, F. -A., Banyasz, A., Gustavsson, T., Markovitsi, D., (2007) J. Am. Chem. Soc., 129, p. 14574
Vay, I., Gustavsson, T., Douki, T., Berlin, Y., Markovitsi, D., (2012) J. Am. Chem. Soc., 134, pp. 11366-11368
Lange, A. W., Herbert, J. M., (2009) J. Am. Chem. Soc., 131, pp. 3913-3922
Olaso-Gonz lez, G., Merchan, M., Serrano-Andres, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377
Lu, Y., Lan, Z. G., Thiel, W., (2011) Angew. Chem., 123, pp. 6996-6999
Hassan, W. M. I., Chung, W. C., Shimakura, N., Koseki, S., Kono, H., Fujimura, Y., (2010) Phys. Chem. Chem. Phys., 12, pp. 5317-5328
Aquino, A. J. A., Nachtigallova, D., Hobza, P., Truhlar, D. G., Haettig, C., Lischka, H., (2011) J. Comput. Chem., 32, pp. 1217-1227
Kim, S. K., Nielsen, P. E., Egholm, M., Buchardt, O., Berg, R. H., Norden, B., (1993) J. Am. Chem. Soc., 115, pp. 6477-6481
Avila Ferrer, F. J., Improta, R., Santoro, F., Barone, V., (2011) Phys. Chem. Chem. Phys., 13, pp. 17007-17012
Marcus, R. A., (1963) J. Chem. Phys., 38, pp. 1335-1340
Frisch, M. J., (2009) Gaussian 09, Revision A. 1, , Gaussian, Inc., Wallingford CT
Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study
The singlet excited states of adenine oligomers, model systems widely used for the understanding of the interaction of ultraviolet radiation with DNA, are investigated by fluorescence spectroscopy and time-dependent (TD) DFT calculations. Fluorescence decays, fluorescence anisotropy decays, and time-resolved fluorescence spectra are recorded from the femtosecond to the nanosecond timescales for single strand (dA)20 in aqueous solution. These experimental observations and, in particular, the comparison of the fluorescence behavior upon UVC and UVA excitation allow the identification of various types of electronic transitions with different energy and polarization. Calculations performed for up to five stacked 9-methyladenines, taking into account the solvent, show that different excited states are responsible for the absorption in the UVC and UVA spectral domains. Independently of the number of bases, bright excitons may evolve toward two types of excited dimers having π-π* or charge-transfer character, each one distinguished by its own geometry and spectroscopic signature. According to the picture arising from the joint experimental and theoretical investigation, UVC-induced fluorescence contains contribution from 1) exciton states with a different degree of localization, decaying within a few ps, 2) "neutral" excited dimers decaying on the sub-nanosecond timescale, being the dominant species, and 3) charge-transfer states decaying on the nanosecond timescale. The majority of the photons emitted upon UVA excitation are related to charge-transfer states. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
The singlet excited states of adenine oligomers, model systems widely used for the understanding of the interaction of ultraviolet radiation with DNA, are investigated by fluorescence spectroscopy and time-dependent (TD) DFT calculations. Fluorescence decays, fluorescence anisotropy decays, and time-resolved fluorescence spectra are recorded from the femtosecond to the nanosecond timescales for single strand (dA)20 in aqueous solution. These experimental observations and, in particular, the comparison of the fluorescence behavior upon UVC and UVA excitation allow the identification of various types of electronic transitions with different energy and polarization. Calculations performed for up to five stacked 9-methyladenines, taking into account the solvent, show that different excited states are responsible for the absorption in the UVC and UVA spectral domains. Independently of the number of bases, bright excitons may evolve toward two types of excited dimers having π-π* or charge-transfer character, each one distinguished by its own geometry and spectroscopic signature. According to the picture arising from the joint experimental and theoretical investigation, UVC-induced fluorescence contains contribution from 1) exciton states with a different degree of localization, decaying within a few ps, 2) "neutral" excited dimers decaying on the sub-nanosecond timescale, being the dominant species, and 3) charge-transfer states decaying on the nanosecond timescale. The majority of the photons emitted upon UVA excitation are related to charge-transfer states. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study
Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study
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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 (277 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
Martinez-fernandez L, Improta R
* Novel adenine/thymine photodimerization channels mapped by PCM/TD-DFT calculations on dApT and TpdA dinucleotides (251 visite)
Photoch Photobio Sci (ISSN: 1474-905x), 2017 Jun 22; 16(8): 1277-1283.
Impact Factor: 2.902
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Martinez-fernandez L, Pepino AJ, Segarra-marti J, Jovaisaite J, Vaya I, Nenov A, Markovitsi D, Gustavsson T, Banyasz A, Garavelli M, Improta R
* Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy (211 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2017 Jun 14; 139(23): 7780-7791.
Impact Factor: 14.357
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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 (136 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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Vayá I, Brazard J, Huix-rotllant M, Thazhathveetil AK, Lewis FD, Gustavsson T, Burghardt I, Improta R, Markovitsi D
* High-Energy Long-Lived Mixed Frenkel-Charge-Transfer Excitons: From Double Stranded (AT)n to Natural DNA (267 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016; 22(14): 4904-4914.
Impact Factor: 5.317
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 (323 visite)
Chem Rev (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
Impact Factor: 47.928
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Calce E, Monfregola L, Saviano M, De Luca S
* HER2-mediated anticancer drug delivery: strategies to prepare targeting ligands highly specific for the receptor (510 visite)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 May 20; 22(21): 2525-2538.
Impact Factor: 3.455
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Nardon C, Boscutti G, Dalla Via L, Ringhieri P, Di Noto V, Morelli G, Accardo A, Fregona D
* CCK8 peptide-labeled Pluronic® F127 micelles as a targeted vehicle of gold-based anticancer chemotherapeutics (343 visite)
Medchemcomm (ISSN: 2040-2503), 2015; 6(1): 155-163.
Impact Factor: 2.319
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Salice P, Sartorio C, Burlini A, Improta R, Pignataro B, Menna E
* On the trade-off between processability and opto-electronic properties of single wall carbon nanotube derivatives in thin film heterojunctions (205 visite)
J Mater Chem C (ISSN: 2050-7526), 2015; 3(2): 303-312.
Impact Factor: 5.066
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Cohen SS, Riven I, Cortajarena AL, De Rosa L, D'Andrea LD, Regan L, Haran G
* Probing the molecular origin of native-state flexibility in repeat proteins (324 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2015; 137(32): 10367-10373.
Impact Factor: 13.038
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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 (296 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2015; 6(12): 2247-2251.
Impact Factor: 8.539
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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 (294 visite)
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 (295 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
Improta R
* Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex (221 visite)
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 (204 visite)
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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Improta R, Vitagliano L, Esposito L
* Correction: Peptide bond distortions from planarity: New insights from quantum mechanical calculations and peptide/protein crystal structures (PLoS ONE) (230 visite)
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2014; 9(1): N/D-N/D.
Impact Factor: 3.234
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Chi M-C, Lo Y-H, Chen Y-Y, Lin L-L, Merlino A
* γ-Glutamyl transpeptidase architecture: Effect of extra sequence deletion on autoprocessing, structure and stability of the protein from Bacillus licheniformis (269 visite)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014; 1844(12): 2290-2297.
Impact Factor: 4.882
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Cantisani M, Falanga A, Incoronato N, Russo L, De Simone A, Morelli G, Berisio R, Galdiero M, Galdiero S
* Conformational modifications of gB from herpes simplex virus type 1 analyzed by synthetic peptides (431 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2013 Nov 14; 56(21): 8366-8376.
Impact Factor: 5.48
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Galdiero S, Falanga A, Cantisani M, Vitiello M, Morelli G, Galdiero M
* Peptide-Lipid Interactions: Experiments and Applications (657 visite)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2013 Sep; 14(9): 18758-18789.
Impact Factor: 2.339
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Satriano C, Sfrazzetto GT, Amato ME, Ballistreri FP, Copani A, Giuffrida ML, Grasso G, Pappalardo A, Rizzarelli E, Tomaselli GA, Toscano RM
* A ratiometric naphthalimide sensor for live cell imaging of copper(i) (382 visite)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2013 Jun 21; 49(49): 5565-5567.
Impact Factor: 6.718
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Travaglia A, Satriano C, Giuffrida ML, La Mendola D, Rampazzo E, Prodi L, Rizzarelli E
* Electrostatically driven interaction of silica-supported lipid bilayer nanoplatforms and a nerve growth factor-mimicking peptide (280 visite)
Soft Matter (ISSN: 1744-683x), 2013; 9(18): 4648-4654.
Impact Factor: 4.151
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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 (364 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 (262 visite)
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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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 (309 visite)
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 (354 visite)
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.
Impact Factor: 4.814
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Caruso P, Causà M, Cimino P, Crescenzi O, D'Amore M, Improta R, Pavone M, Rega N
* Effects of molecular dynamics and solvation on the electronic structure of molecular probes (295 visite)
Theor Chem Acc (ISSN: 1432-881x), 2012 Apr; 131(4): 1211-1212.
Impact Factor: 2.233
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Musumeci D, Oliviero G, Roviello GN, Bucci EM, Piccialli G
* G-quadruplex-forming oligonucleotide conjugated to magnetic nanoparticles: Synthesis, characterization, and enzymatic stability assays (464 visite)
Bioconjug Chem (ISSN: 1043-1802, 1520-4812, 1520-4812electronic), 2012 Mar 21; 23(3): 382-391.
Impact Factor: 4.58
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Merlino A, Vitiello G, Grimaldi M, Sica F, Busi E, Basosi R, D’Ursi A, Fragneto G, Paduano L, D’Errico G
* Destabilization of Lipid Membranes by a Peptide Derived from Glycoprotein gp36 of Feline Immunodeficiency Virus: A Combined Molecular Dynamics/Experimental Study (369 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Jan 12; 116(1): 401-412.
Impact Factor: 3.607
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Stendardo E, Avila FJA, Santoro F, Improta R
* Vibrationally resolved absorption and emission spectra of dithiophene in the gas phase and in solution by first-principle quantum mechanical calculations (235 visite)
J Chem Theory Comput (ISSN: 1549-9618, 1549-9626electronic, 1549-9618linking), 2012; 8(11): 4483-4493.
Impact Factor: 5.389
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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 (202 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 (214 visite)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2011 Dec 9; 50(50): 12016-12019.
Impact Factor: 13.455
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Improta R, Vitagliano L, Esposito L
* Peptide bond distortions from planarity: New insights from quantum mechanical calculations and peptide/protein crystal structures (383 visite)
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2011 Sep 16; 6(9): e24533-e24533.
Impact Factor: 4.092
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Tosco A, Monti MC, Fontanella B, Montefusco S, D'Andrea LD, Ziaco B, Baldantoni D, Rio MC, Marzullo L
* Copper binds the carboxy-terminus of trefoil protein 1 (TFF1), favoring its homodimerization and motogenic activity (483 visite)
Cell Mol Life Sci (ISSN: 1420-9071electronic, 1420-682xlinking), 2010 Jun; 67(11): 1943-1955.
Impact Factor: 7.047
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Abbate M, Casella G, Fiore T, Grasso G, Pellerito C, Scopelliti M, Spinella A, Pellerito L
* Structural characterization of triorganotin(IV) complexes with sodium fusidate and DFT calculations (240 visite)
J Organomet Chem (ISSN: 0022-328x), 2010 May 1; 695(9): 1405-1413.
Impact Factor: 2.205
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Accardo A, Tesauro D, Morisco A, Mangiapia G, Vaccaro M, Gianolio E, Heenan RK, Paduano L, Morelli G
* Micelles obtained by aggregation of gemini surfactants containing the CCK8 peptide and a gadolinium complex (369 visite)
J Biol Inorg Chem (ISSN: 0949-8257, 1432-1327electronic, 0949-8257linking), 2009 May; 14(4): 587-599.
Impact Factor: 3.415
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Morisco A, Accardo A, Gianolio E, Tesauro D, Benedetti E, Morelli G
* Micelles derivatized with octreotide as potential target-selective contrast agents in MRI (312 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 242-250.
Impact Factor: 1.807
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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 (218 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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Accardo A, Tesauro D, Del Pozzo L, Mangiapia G, Paduano L, Morelli G
* Micelles by self-assembling peptide-conjugate amphiphile: Synthesis and structural characterization (357 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2008 Sep; 14(8): 903-910.
Impact Factor: 1.654
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 (193 visite)
Theor Chem Acc (ISSN: 1432-881x), 2008 Jul; 120(4-6): 491-497.
Impact Factor: 2.37
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Santoro F, Barone V, Improta R
* Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case (246 visite)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic, 0192-8651linking), 2008 Apr 30; 29(6): 957-964.
Impact Factor: 3.39
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Staiano M, Saviano M, Herman P, Grycznyski Z, Fini C, Varriale A, Parracino A, Kold AB, Rossi M, D'Auria S
* Time-resolved fluorescence spectroscopy and molecular dynamics simulations point out the effects of pressure on the stability and dynamics of the porcine odorant-binding protein (465 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 89(4): 284-291.
Impact Factor: 2.823
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Santoro F, Barone V, Benzi C, Improta R
* Excited state properties of sizable molecules in solution: From structure to reactivity (217 visite)
Theor Chem Acc (ISSN: 1432-881x), 2007 May; 117(5-6): 1073-1084.
Impact Factor: 2.537
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Chambery A, Pisante M, Di Maro A, Di Zazzo E, Ruvo M, Costantini S, Colonna G, Parente A
* Invariant Ser211 is involved in the catalysis of PD-L4, type I RIP from Phytolacca dioica leaves (306 visite)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Apr 1; 67(1): 209-218.
Impact Factor: 3.354
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Ronga L, Langella E, Palladino P, Marasco D, Tizzano B, Saviano M, Pedone C, Improta R, Ruvo M
* Does Tetracycline Bind Helix 2 Of Prion? An Integrated Spectroscopical And Computational Study Of The Interaction Between The Antibiotic And Alpha Helix 2 Human Prion Protein Fragments (412 visite)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Feb 15; 66(3): 707-715.
Impact Factor: 3.354
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Puglisi A, Purrello R, Rizzarelli E, Sortino S, Vecchio G
* Spectroscopic and self-association behavior of a porphyrin-β- cyclodextrin conjugate (346 visite)
New J Chem (ISSN: 1144-0546), 2007; 31(8): 1499-1506.
Impact Factor: 2.651
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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 (227 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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De Luca S, Saviano M, Lassiani L, Yannakopoulou K, Stefanidou P, Aloj L, Morelli G, Varnavas A
* Anthranilic acid based CCK1 receptor antagonists and CCK-8 have a common step in their "receptor desmodynamic processes" (327 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2006 Apr 20; 49(8): 2456-2462.
Impact Factor: 5.115
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De Luca S, Sanseverino M, Zocchi I, Pedone C, Morelli G, Ragone R
* Receptor fragment approach to the binding between CCK8 peptide and cholecystokinin receptors: A fluorescence study on type B receptor fragment CCKB-R (352-379) (316 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005 Mar; 77(4): 205-211.
Impact Factor: 2.545
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Improta R, Antonello S, Formaggio F, Maran F, Rega N, Barone V
* Understanding Electron Transfer across Negatively-Charged Aib Oligopeptides (489 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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Improta R, Barone V
* Absorption and fluorescence spectra of uracil in the gas phase and in aqueous solution: A TD-DFT quantum mechanical study (336 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2004 Nov 10; 126(44): 14320-14321.
Impact Factor: 6.903
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Barone V, Formaggio F, Improta R, Polo F, Maran F
* Electron transfer to and conformational preferences of Aib oligo-peptides (336 visite)
Proc Electrochem Soc, 2004; 10: 29-32.
Impact Factor: 0
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De Luca S, Ragone R, Bracco C, Digilio G, Aloj L, Tesauro D, Saviano M, Pedone C, Morelli G
* A cyclic CCK8 analogue selective for the cholecystokinin type A receptor: design, synthesis, NMR structure and binding measurements (421 visite)
Chembiochem (ISSN: 1439-7633, 1439-4227, 1439-7633electronic), 2003 Nov 7; 4(11): 1176-1187.
Impact Factor: 3.992
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De Luca S, Ragone R, Bracco C, Digilio G, Tesauro D, Saviano M, Pedone C, Morelli G
* The role of segment 32-47 of cholecystokinin receptor type A in CCK8 binding: Synthesis, nuclear magnetic resonance, circular dichroism and fluorescence studies (299 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2003 Mar; 9(3): 156-169.
Impact Factor: 1.377
Dettagli Esporta in BibTeX Esporta in EndNote
Ragone R, De Luca S, Tesauro D, Pedone C, Morelli G
Fluorescence studies on the binding between 1-47 fragment of cholecystokinin receptor CCKA-R(1-47) and nonsulfated cholecystokinin octapeptide CCK8 (396 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 47-53.
Impact Factor: 2.405
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Gallo P, Saviano M, Rossi F, Pavone V, Pedone C, Ragone R, Stiuso P, Colonna G
SPECIFIC INTERACTION BETWEEN CYCLOPHILIN AND CYCLIC-PEPTIDES (422 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1995 Sep; 36(3): 273-281.
Impact Factor: 2.425
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Marchesani F, Gianquinto E, Autiero I, Michielon A, Campanini B, Faggiano S, Bettati S, Mozzarelli A, Spyrakis F, Bruno S
* The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase (35 visite)
Febs J (ISSN: 1742-464xlinking), 2020 Nov 29; N/D: N/D-N/D.
Impact Factor: 4.739
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Martinez-fernandez L, Gustavsson T, Diederichsen U, Improta R
* Excited State Dynamics of 8-Vinyldeoxyguanosine In Aqueous Solution Studied by Time-Resolved Fluorescence Spectroscopy and Quantum Mechanical Calculations (18 visite)
Molecules (ISSN: 1420-3049linking), 2020 Feb 13; 25(4): N/D-N/D.
Impact Factor: 3.267
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Caporale A, Monti A, Selis F, Sandomenico A, Tonon G, Ruvo M, Doti N
* A comparative analysis of catalytic activity and stability of microbial transglutaminase in controlled denaturing conditions (105 visite)
J Biotechnol (ISSN: 0168-1656linking), 2019 Aug 20; 302: 48-57.
Impact Factor: 3.163
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Martinez-fernandez L, Gavvala K, Sharma R, Didier P, Richert L, Segarra Marti J, Mori M, Mely Y, Improta R
* Excited-State Dynamics of Thienoguanosine, an Isomorphic Highly Fluorescent Analogue of Guanosine (128 visite)
Chemistry (ISSN: 0947-6539linking, 1521-3765electronic), 2019 May 28; 25(30): 7375-7386.
Impact Factor: 5.16
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Martinez-fernandez L, Improta R
* Photoactivated proton coupled electron transfer in DNA: Insights from quantum mechanical calculations (101 visite)
Faraday Discuss (ISSN: 1359-6640, 1359-6640print), 2018; 207: 199-216.
Impact Factor: 3.427
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 (277 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
Martinez-fernandez L, Improta R
* Novel adenine/thymine photodimerization channels mapped by PCM/TD-DFT calculations on dApT and TpdA dinucleotides (251 visite)
Photoch Photobio Sci (ISSN: 1474-905x), 2017 Jun 22; 16(8): 1277-1283.
Impact Factor: 2.902
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Pepino AJ, Segarra-marti J, Jovaisaite J, Vaya I, Nenov A, Markovitsi D, Gustavsson T, Banyasz A, Garavelli M, Improta R
* Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy (211 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2017 Jun 14; 139(23): 7780-7791.
Impact Factor: 14.357
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 (136 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
Vayá I, Brazard J, Huix-rotllant M, Thazhathveetil AK, Lewis FD, Gustavsson T, Burghardt I, Improta R, Markovitsi D
* High-Energy Long-Lived Mixed Frenkel-Charge-Transfer Excitons: From Double Stranded (AT)n to Natural DNA (267 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016; 22(14): 4904-4914.
Impact Factor: 5.317
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 (323 visite)
Chem Rev (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
Impact Factor: 47.928
Dettagli Esporta in BibTeX Esporta in EndNote
Calce E, Monfregola L, Saviano M, De Luca S
* HER2-mediated anticancer drug delivery: strategies to prepare targeting ligands highly specific for the receptor (510 visite)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 May 20; 22(21): 2525-2538.
Impact Factor: 3.455
Dettagli Esporta in BibTeX Esporta in EndNote
Nardon C, Boscutti G, Dalla Via L, Ringhieri P, Di Noto V, Morelli G, Accardo A, Fregona D
* CCK8 peptide-labeled Pluronic® F127 micelles as a targeted vehicle of gold-based anticancer chemotherapeutics (343 visite)
Medchemcomm (ISSN: 2040-2503), 2015; 6(1): 155-163.
Impact Factor: 2.319
Dettagli Esporta in BibTeX Esporta in EndNote
Salice P, Sartorio C, Burlini A, Improta R, Pignataro B, Menna E
* On the trade-off between processability and opto-electronic properties of single wall carbon nanotube derivatives in thin film heterojunctions (205 visite)
J Mater Chem C (ISSN: 2050-7526), 2015; 3(2): 303-312.
Impact Factor: 5.066
Dettagli Esporta in BibTeX Esporta in EndNote
Cohen SS, Riven I, Cortajarena AL, De Rosa L, D'Andrea LD, Regan L, Haran G
* Probing the molecular origin of native-state flexibility in repeat proteins (324 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2015; 137(32): 10367-10373.
Impact Factor: 13.038
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 (296 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
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 (294 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 (295 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
Improta R
* Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex (221 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 (204 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
Improta R, Vitagliano L, Esposito L
* Correction: Peptide bond distortions from planarity: New insights from quantum mechanical calculations and peptide/protein crystal structures (PLoS ONE) (230 visite)
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2014; 9(1): N/D-N/D.
Impact Factor: 3.234
Dettagli Esporta in BibTeX Esporta in EndNote
Chi M-C, Lo Y-H, Chen Y-Y, Lin L-L, Merlino A
* γ-Glutamyl transpeptidase architecture: Effect of extra sequence deletion on autoprocessing, structure and stability of the protein from Bacillus licheniformis (269 visite)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014; 1844(12): 2290-2297.
Impact Factor: 4.882
Dettagli Esporta in BibTeX Esporta in EndNote
Cantisani M, Falanga A, Incoronato N, Russo L, De Simone A, Morelli G, Berisio R, Galdiero M, Galdiero S
* Conformational modifications of gB from herpes simplex virus type 1 analyzed by synthetic peptides (431 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2013 Nov 14; 56(21): 8366-8376.
Impact Factor: 5.48
Dettagli Esporta in BibTeX Esporta in EndNote
Galdiero S, Falanga A, Cantisani M, Vitiello M, Morelli G, Galdiero M
* Peptide-Lipid Interactions: Experiments and Applications (657 visite)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2013 Sep; 14(9): 18758-18789.
Impact Factor: 2.339
Dettagli Esporta in BibTeX Esporta in EndNote
Satriano C, Sfrazzetto GT, Amato ME, Ballistreri FP, Copani A, Giuffrida ML, Grasso G, Pappalardo A, Rizzarelli E, Tomaselli GA, Toscano RM
* A ratiometric naphthalimide sensor for live cell imaging of copper(i) (382 visite)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2013 Jun 21; 49(49): 5565-5567.
Impact Factor: 6.718
Dettagli Esporta in BibTeX Esporta in EndNote
Travaglia A, Satriano C, Giuffrida ML, La Mendola D, Rampazzo E, Prodi L, Rizzarelli E
* Electrostatically driven interaction of silica-supported lipid bilayer nanoplatforms and a nerve growth factor-mimicking peptide (280 visite)
Soft Matter (ISSN: 1744-683x), 2013; 9(18): 4648-4654.
Impact Factor: 4.151
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 (364 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 (262 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
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 (309 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 (354 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
Caruso P, Causà M, Cimino P, Crescenzi O, D'Amore M, Improta R, Pavone M, Rega N
* Effects of molecular dynamics and solvation on the electronic structure of molecular probes (295 visite)
Theor Chem Acc (ISSN: 1432-881x), 2012 Apr; 131(4): 1211-1212.
Impact Factor: 2.233
Dettagli Esporta in BibTeX Esporta in EndNote
Musumeci D, Oliviero G, Roviello GN, Bucci EM, Piccialli G
* G-quadruplex-forming oligonucleotide conjugated to magnetic nanoparticles: Synthesis, characterization, and enzymatic stability assays (464 visite)
Bioconjug Chem (ISSN: 1043-1802, 1520-4812, 1520-4812electronic), 2012 Mar 21; 23(3): 382-391.
Impact Factor: 4.58
Dettagli Esporta in BibTeX Esporta in EndNote
Merlino A, Vitiello G, Grimaldi M, Sica F, Busi E, Basosi R, D’Ursi A, Fragneto G, Paduano L, D’Errico G
* Destabilization of Lipid Membranes by a Peptide Derived from Glycoprotein gp36 of Feline Immunodeficiency Virus: A Combined Molecular Dynamics/Experimental Study (369 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Jan 12; 116(1): 401-412.
Impact Factor: 3.607
Dettagli Esporta in BibTeX Esporta in EndNote
Stendardo E, Avila FJA, Santoro F, Improta R
* Vibrationally resolved absorption and emission spectra of dithiophene in the gas phase and in solution by first-principle quantum mechanical calculations (235 visite)
J Chem Theory Comput (ISSN: 1549-9618, 1549-9626electronic, 1549-9618linking), 2012; 8(11): 4483-4493.
Impact Factor: 5.389
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 (202 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 (214 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
Improta R, Vitagliano L, Esposito L
* Peptide bond distortions from planarity: New insights from quantum mechanical calculations and peptide/protein crystal structures (383 visite)
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2011 Sep 16; 6(9): e24533-e24533.
Impact Factor: 4.092
Dettagli Esporta in BibTeX Esporta in EndNote
Tosco A, Monti MC, Fontanella B, Montefusco S, D'Andrea LD, Ziaco B, Baldantoni D, Rio MC, Marzullo L
* Copper binds the carboxy-terminus of trefoil protein 1 (TFF1), favoring its homodimerization and motogenic activity (483 visite)
Cell Mol Life Sci (ISSN: 1420-9071electronic, 1420-682xlinking), 2010 Jun; 67(11): 1943-1955.
Impact Factor: 7.047
Dettagli Esporta in BibTeX Esporta in EndNote
Abbate M, Casella G, Fiore T, Grasso G, Pellerito C, Scopelliti M, Spinella A, Pellerito L
* Structural characterization of triorganotin(IV) complexes with sodium fusidate and DFT calculations (240 visite)
J Organomet Chem (ISSN: 0022-328x), 2010 May 1; 695(9): 1405-1413.
Impact Factor: 2.205
Dettagli Esporta in BibTeX Esporta in EndNote
Accardo A, Tesauro D, Morisco A, Mangiapia G, Vaccaro M, Gianolio E, Heenan RK, Paduano L, Morelli G
* Micelles obtained by aggregation of gemini surfactants containing the CCK8 peptide and a gadolinium complex (369 visite)
J Biol Inorg Chem (ISSN: 0949-8257, 1432-1327electronic, 0949-8257linking), 2009 May; 14(4): 587-599.
Impact Factor: 3.415
Dettagli Esporta in BibTeX Esporta in EndNote
Morisco A, Accardo A, Gianolio E, Tesauro D, Benedetti E, Morelli G
* Micelles derivatized with octreotide as potential target-selective contrast agents in MRI (312 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 242-250.
Impact Factor: 1.807
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 (218 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
Accardo A, Tesauro D, Del Pozzo L, Mangiapia G, Paduano L, Morelli G
* Micelles by self-assembling peptide-conjugate amphiphile: Synthesis and structural characterization (357 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2008 Sep; 14(8): 903-910.
Impact Factor: 1.654
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 (193 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
Santoro F, Barone V, Improta R
* Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case (246 visite)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic, 0192-8651linking), 2008 Apr 30; 29(6): 957-964.
Impact Factor: 3.39
Dettagli Esporta in BibTeX Esporta in EndNote
Staiano M, Saviano M, Herman P, Grycznyski Z, Fini C, Varriale A, Parracino A, Kold AB, Rossi M, D'Auria S
* Time-resolved fluorescence spectroscopy and molecular dynamics simulations point out the effects of pressure on the stability and dynamics of the porcine odorant-binding protein (465 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 89(4): 284-291.
Impact Factor: 2.823
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 (217 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
Chambery A, Pisante M, Di Maro A, Di Zazzo E, Ruvo M, Costantini S, Colonna G, Parente A
* Invariant Ser211 is involved in the catalysis of PD-L4, type I RIP from Phytolacca dioica leaves (306 visite)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Apr 1; 67(1): 209-218.
Impact Factor: 3.354
Dettagli Esporta in BibTeX Esporta in EndNote
Ronga L, Langella E, Palladino P, Marasco D, Tizzano B, Saviano M, Pedone C, Improta R, Ruvo M
* Does Tetracycline Bind Helix 2 Of Prion? An Integrated Spectroscopical And Computational Study Of The Interaction Between The Antibiotic And Alpha Helix 2 Human Prion Protein Fragments (412 visite)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Feb 15; 66(3): 707-715.
Impact Factor: 3.354
Dettagli Esporta in BibTeX Esporta in EndNote
Puglisi A, Purrello R, Rizzarelli E, Sortino S, Vecchio G
* Spectroscopic and self-association behavior of a porphyrin-β- cyclodextrin conjugate (346 visite)
New J Chem (ISSN: 1144-0546), 2007; 31(8): 1499-1506.
Impact Factor: 2.651
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 (227 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
De Luca S, Saviano M, Lassiani L, Yannakopoulou K, Stefanidou P, Aloj L, Morelli G, Varnavas A
* Anthranilic acid based CCK1 receptor antagonists and CCK-8 have a common step in their "receptor desmodynamic processes" (327 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2006 Apr 20; 49(8): 2456-2462.
Impact Factor: 5.115
Dettagli Esporta in BibTeX Esporta in EndNote
De Luca S, Sanseverino M, Zocchi I, Pedone C, Morelli G, Ragone R
* Receptor fragment approach to the binding between CCK8 peptide and cholecystokinin receptors: A fluorescence study on type B receptor fragment CCKB-R (352-379) (316 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005 Mar; 77(4): 205-211.
Impact Factor: 2.545
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 (489 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
Improta R, Barone V
* Absorption and fluorescence spectra of uracil in the gas phase and in aqueous solution: A TD-DFT quantum mechanical study (336 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2004 Nov 10; 126(44): 14320-14321.
Impact Factor: 6.903
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 (336 visite)
Proc Electrochem Soc, 2004; 10: 29-32.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
De Luca S, Ragone R, Bracco C, Digilio G, Aloj L, Tesauro D, Saviano M, Pedone C, Morelli G
* A cyclic CCK8 analogue selective for the cholecystokinin type A receptor: design, synthesis, NMR structure and binding measurements (421 visite)
Chembiochem (ISSN: 1439-7633, 1439-4227, 1439-7633electronic), 2003 Nov 7; 4(11): 1176-1187.
Impact Factor: 3.992
Dettagli Esporta in BibTeX Esporta in EndNote
De Luca S, Ragone R, Bracco C, Digilio G, Tesauro D, Saviano M, Pedone C, Morelli G
* The role of segment 32-47 of cholecystokinin receptor type A in CCK8 binding: Synthesis, nuclear magnetic resonance, circular dichroism and fluorescence studies (299 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2003 Mar; 9(3): 156-169.
Impact Factor: 1.377
Dettagli Esporta in BibTeX Esporta in EndNote
Ragone R, De Luca S, Tesauro D, Pedone C, Morelli G
Fluorescence studies on the binding between 1-47 fragment of cholecystokinin receptor CCKA-R(1-47) and nonsulfated cholecystokinin octapeptide CCK8 (396 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 47-53.
Impact Factor: 2.405
Dettagli Esporta in BibTeX Esporta in EndNote
Gallo P, Saviano M, Rossi F, Pavone V, Pedone C, Ragone R, Stiuso P, Colonna G
SPECIFIC INTERACTION BETWEEN CYCLOPHILIN AND CYCLIC-PEPTIDES (422 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1995 Sep; 36(3): 273-281.
Impact Factor: 2.425
Dettagli Esporta in BibTeX Esporta in EndNote
60 Records (59 escludendo Abstract e Conferenze).
Impact factor totale: 327.907 (323.815 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 334.113 (329.576 escludendo Abstract e Conferenze).
Impact factor totale: 327.907 (323.815 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 334.113 (329.576 escludendo Abstract e Conferenze).
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