Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides (296 views)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2017 Apr 20; 8(8): 1777-1783.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 8.709, 5-year impact factor: 8.48
Url: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85018507207&doi=10.1021%2facs.jpclett.7b00316&partnerID=40&md5=20488940fa648c25b4833e7a5d46f04d
Keywords: Aromatic Compounds, Biomolecules, Digital Storage, Ground State, Potential Energy, Quantum Chemistry, Conical Intersection, Deactivation Channel, Photoprotection Mechanisms, Picosecond Time Domain, Pyrimidine Nucleosides, Spectroscopic Signals, State Population, Ultrafast Decay, Excited States,
Affiliations:
*** IBB - CNR ***
Dipartimento di Chimica Industriale "Toso Montanari" Viale del Risorgimento, 4, 40136 Bologna, Italy., Laboratoire de Chimie UMR 5182, Universite Lyon, ENS de Lyon, CNRS, Universite Lyon 1 , F-69342 Lyon, France., Istituto di Biostrutture e Bioimmagini CNR , Via Mezzocannone 16, I-80134 Napoli, Italy.,
References:
Kleinermanns, K., Nachtigallová, D., De Vries, M.S., Excited State Dynamics of DNA Bases (2013) Int. Rev. Phys. Chem., 32 (2), pp. 308-34
Chen, J., Kohler, B., Base Stacking in Adenosine Dimers Revealed by Femtosecond Transient Absorption Spectroscopy (2014) J. Am. Chem. Soc., 136 (17), pp. 6362-6372
Crespo-Hernández, C.E., Cohen, B., Hare, P.M., Kohler, B., Ultrafast Excited-State Dynamics in Nucleic Acids (2004) Chem. Rev., 104 (4), pp. 1977-2019
Middleton, C.T., De La Harpe, K., Su, C., Law, Y.K., Crespo-Hernández, C.E., Kohler, B., DNA Excited-State Dynamics: From Single Bases to the Double Helix (2009) Annu. Rev. Phys. Chem., 60 (1), pp. 217-239
Giussani, A., Segarra-Martí, J., Roca-Sanjuán, D., Merchán, M., Excitation of Nucleobases from a Computational Perspective I: Reaction Paths. (2015) Top. Curr. Chem., 355, pp. 57-97
Barbatti, M., Borin, A.C., Ullrich, S., Photoinduced Processes in Nucleic Acids (2014) Top. Curr. Chem., 355, pp. 1-32
Improta, R., Santoro, F., Blancafort, L., Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (2016) Chem. Rev., 116 (6), pp. 3540-3593
Mai, S., Richter, M., Marquetand, P., González, L., Excitation of Nucleobases from a Computational Perspective II: Dynamics (2015) Photoinduced Phenomena in Nucleic Acids I: Nucleobases in the Gas Phase and in Solvents, pp. 99-153. , Barbatti, M. Borin, C. A. Ullrich, S. Springer International Publishing: Cham, Switzerland
Barbatti, M., Aquino, A.J.A., Szymczak, J.J., Nachtigallová, D., Hobza, P., Lischka, H., Relaxation Mechanisms of UV-Photoexcited DNA and RNA Nucleobases (2010) Proc. Natl. Acad. Sci. U. S. A., 107 (50), pp. 21453-21458
Markovitsi, D., Gustavsson, T., Talbot, F., Excited States and Energy Transfer among DNA Bases in Double Helices (2007) Photochem. Photobiol. Sci., 6 (7), pp. 717-724
Gustavsson, T., Improta, R., Markovitsi, D., DNA/RNA: Building Blocks of Life under UV Irradiation (2010) J. Phys. Chem. Lett., 1 (13), pp. 2025-2030
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 (2006) J. Am. Chem. Soc., 128 (50), pp. 16312-16322
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 (2008) J. Phys. Chem. B, 112 (35), pp. 10769-10772
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 (2008) Theor. Chem. Acc., 120 (46), pp. 491-497
Altavilla, S.F., Segarra-Martí, J., Nenov, A., Conti, I., Rivalta, I., Garavelli, M., Deciphering the Photochemical Mechanisms Describing the UV-Induced Processes Occurring in Solvated Guanine Monophosphate (2015) Front. Chem., 3, pp. 1-12
Buchner, F., Nakayama, A., Yamazaki, S., Ritze, H.H., Lübcke, A., Excited-State Relaxation of Hydrated Thymine and Thymidine Measured by Liquid-Jet Photoelectron Spectroscopy: Experiment and Simulation (2015) J. Am. Chem. Soc., 137 (8), pp. 2931-2938
Zhang, X., Herbert, J.M., Excited-State Deactivation Pathways in Uracil versus Hydrated Uracil: Solvatochromatic Shift in the 1nπ∗ State Is the Key (2014) J. Phys. Chem. B, 118 (28), pp. 7806-7817
Kistler, K.A., Matsika, S., Solvatochromic Shifts of Uracil and Cytosine Using a Combined Multireference Configuration Interaction/molecular Dynamics Approach and the Fragment Molecular Orbital Method (2009) J. Phys. Chem. A, 113 (45), pp. 12396-12403
Gustavsson, T., Bányász, A., Lazzarotto, E., Markovitsi, D., Scalmani, G., Frisch, M.J., Barone, V., Improta, R., Singlet Excited-State Behavior of Uracil and Thymine in Aqueous Solution: A Combined Experimental and Computational Study of 11 Uracil Derivatives (2006) J. Am. Chem. Soc., 128 (2), pp. 607-619
Martínez-Fernandez, L., Pepino, A.J., Segarra-Marti, J., Banyasz, A., Garavelli, M., Improta, R., Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models (2016) J. Chem. Theory Comput., 12, pp. 4430-4439
Du, L., Lan, Z., An on-the-Fly Surface-Hopping Program Jade for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and Applications (2015) J. Chem. Theory Comput., 11 (4), pp. 1360-1374
Cohen, B., Crespo-Hernández, C.E., Kohler, B., Crespo-Hernandez, C.E., Kohler, B., Strickler-Berg Analysis of Excited Singlet State Dynamics in DNA and RNA Nucleosides (2004) Faraday Discuss., 127, pp. 137-147
Peon, J., Zewail, A.H., DNA/RNA Nucleotides and Nucleosides: Direct Measurement of Excited-State Lifetimes by Femtosecond Fluorescence up-Conversion (2001) Chem. Phys. Lett., 348 (34), pp. 255-262
Richter, M., Mai, S., Marquetand, P., González, L., Ultrafast Intersystem Crossing Dynamics in Uracil Unravelled by Ab Initio Molecular Dynamics (2014) Phys. Chem. Chem. Phys., 16 (44), pp. 24423-24436
Onidas, D., Markovitsi, D., Marguet, S., Sharonov, A., Gustavsson, T., Fluorescence Properties of DNA Nucleosides and Nucleotides: A Refined Steady-State and Femtosecond Investigation (2002) J. Phys. Chem. B, 106 (43), pp. 11367-11374
Pecourt, J.M.L., Peon, J., Kohler, B., DNA Excited-State Dynamics: Ultrafast Internal Conversion and Vibrational Cooling in a Series of Nucleosides (2001) J. Am. Chem. Soc., 123 (42), pp. 10370-10378
Nakayama, A., Harabuchi, Y., Yamazaki, S., Taketsugu, T., Photophysics of Cytosine Tautomers: New Insights into the Nonradiative Decay Mechanisms from MS-CASPT2 Potential Energy Calculations and Excited-State Molecular Dynamics Simulations (2013) Phys. Chem. Chem. Phys., 15 (29), pp. 12322-12339
Ma, C., Cheng, C.C., Chan, C.T., Chan, R.C., Kwok, W., Remarkable Effects of Solvent and Substitution on the Photo-Dynamics of Cytosine: A Femtosecond Broadband Time-Resolved Fluorescence and (2015) Phys. Chem. Chem. Phys., 17, pp. 19045-19057
Rottger, K., Marroux, H., Bohnke, H., Morris, D., Voice, A., Temps, F., Roberts, G.M., Orr-Ewing, A., Probing the Excited State Relaxation Dynamics of Pyrimidine Nucleosides in Chloroform Solution (2016) Faraday Discuss., 194, pp. 683-708
Xue, B., Yabushita, A., Kobayashi, T., Ultrafast Dynamics of Uracil and Thymine Studied Using a Sub-10 Fs Deep Ultraviolet Laser (2016) Phys. Chem. Chem. Phys., 18 (25), pp. 17044-17053
Johnson, P.J.M., Halpin, A., Morizumi, T., Prokhorenko, V.I., Ernst, O.P., Miller, R.J.D., Local Vibrational Coherences Drive the Primary Photochemistry of Vision (2015) Nat. Chem., 7 (12), pp. 980-986
Merchán, M., González-Luque, R., Climent, T., Serrano-Andrés, L., Rodríguez, E., Reguero, M., Peláez, D., Unified Model for the Ultrafast Decay of Pyrimidine Nucleobases (2006) J. Phys. Chem. B, 110 (51), pp. 26471-26476
Barbatti, M., Photorelaxation Induced by Water-Chromophore Electron Transfer (2014) J. Am. Chem. Soc., 136 (29), pp. 10246-10249
Wu, X., Karsili, T.N.V., Domcke, W., Excited-State Deactivation of Adenine by Electron-Driven Proton-Transfer Reactions in Adenine-Water Clusters: A Computational Study (2016) ChemPhysChem, 17 (9), pp. 1298-1304
Shinobu, A., Agmon, N., Proton Wire Dynamics in the Green Fluorescent Protein (2017) J. Chem. Theory Comput., 13 (1), pp. 353-369
Roberts, G.M., Marroux, H.J.B., Grubb, M.P., Ashfold, M.N.R., Orr-Ewing, A.J., On the Participation of Photoinduced N-H Bond Fission in Aqueous Adenine at 266 and 220 Nm: A Combined Ultrafast Transient Electronic and Vibrational Absorption Spectroscopy Study (2014) J. Phys. Chem. A, 118 (47), pp. 11211-11225
Gustavsson, T., Sharonov, A., Onidas, D., Markovitsi, D., Adenine, Deoxyadenosine and Deoxyadenosine 5′-Monophosphate Studied by Femtosecond Fluorescence Upconversion Spectroscopy (2002) Chem. Phys. Lett., 356 (12), pp. 49-54
Gustavsson, T., Sarkar, N., Lazzarotto, E., Markovitsi, D., Improta, R., Singlet Excited State Dynamics of Uracil and Thymine Derivatives: A Femtosecond Fluorescence Upconversion Study in Acetonitrile (2006) Chem. Phys. Lett., 429 (46), pp. 551-557
Slavíček, P., Winter, B., Faubel, M., Bradforth, S.E., Jungwirth, P., Ionization Energies of Aqueous Nucleic Acids: Photoelectron Spectroscopy of Pyrimidine Nucleosides and Ab Initio Calculations (2009) J. Am. Chem. Soc., 131 (18), pp. 6460-6467
Chatterley, A.S., West, C.W., Stavros, V.G., Verlet, J.R.R., Time-Resolved Photoelectron Imaging of the Isolated Deprotonated Nucleotides (2014) Chem. Sci., 5, pp. 3963-3975
Horton, S., Liu, Y., Matsika, S., Weinacht, T., Time-Resolved UV-Pump (4.8eV) and Vacuum-UV (8eV) Probe Experiments of Neutral Excited State Dynamics (2016) 47th Annual Meeting of the APS Division of Atomic, Molecular and Optical Physics
Nenov, A., Giussani, A., Segarra-Martí, J., Jaiswal, V.K., Rivalta, I., Cerullo, G., Mukamel, S., Garavelli, M., Modeling the High-Energy Electronic State Manifold of Adenine: Calibration for Nonlinear Electronic Spectroscopy (2015) J. Chem. Phys., 142 (21), p. 212443
Prokhorenko, V.I., Picchiotti, A., Miller, R.J.D., New Insight into Photophysics of DNA Nucleobases (2016) International Conference on Ultrafast Phenomena, , UM3A.4
Tuna, D., Sobolewski, A.L., Domcke, W., Mechanisms of Ultrafast Excited-State Deactivation in Adenosine (2014) J. Phys. Chem. A, 118 (1), pp. 122-127
Tuna, D., Domcke, W., Excited-State Deactivation in 8-Oxo-Deoxyguanosine: Comparison between Anionic and Neutral Forms (2016) Phys. Chem. Chem. Phys., 18 (2), pp. 947-955
Beckstead, A.A., Zhang, Y., De Vries, S., Kohler, B., Life in the Light: Nucleic Acid Photoproperties as a Legacy of Chemical Evolution (2016) Phys. Chem. Chem. Phys., 18, pp. 24228-24238
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2017 Apr 20; 8(8): 1777-1783.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 8.709, 5-year impact factor: 8.48
Url: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85018507207&doi=10.1021%2facs.jpclett.7b00316&partnerID=40&md5=20488940fa648c25b4833e7a5d46f04d
Keywords: Aromatic Compounds, Biomolecules, Digital Storage, Ground State, Potential Energy, Quantum Chemistry, Conical Intersection, Deactivation Channel, Photoprotection Mechanisms, Picosecond Time Domain, Pyrimidine Nucleosides, Spectroscopic Signals, State Population, Ultrafast Decay, Excited States,
Affiliations:
*** IBB - CNR ***
Dipartimento di Chimica Industriale "Toso Montanari" Viale del Risorgimento, 4, 40136 Bologna, Italy., Laboratoire de Chimie UMR 5182, Universite Lyon, ENS de Lyon, CNRS, Universite Lyon 1 , F-69342 Lyon, France., Istituto di Biostrutture e Bioimmagini CNR , Via Mezzocannone 16, I-80134 Napoli, Italy.,
References:
Kleinermanns, K., Nachtigallová, D., De Vries, M.S., Excited State Dynamics of DNA Bases (2013) Int. Rev. Phys. Chem., 32 (2), pp. 308-34
Chen, J., Kohler, B., Base Stacking in Adenosine Dimers Revealed by Femtosecond Transient Absorption Spectroscopy (2014) J. Am. Chem. Soc., 136 (17), pp. 6362-6372
Crespo-Hernández, C.E., Cohen, B., Hare, P.M., Kohler, B., Ultrafast Excited-State Dynamics in Nucleic Acids (2004) Chem. Rev., 104 (4), pp. 1977-2019
Middleton, C.T., De La Harpe, K., Su, C., Law, Y.K., Crespo-Hernández, C.E., Kohler, B., DNA Excited-State Dynamics: From Single Bases to the Double Helix (2009) Annu. Rev. Phys. Chem., 60 (1), pp. 217-239
Giussani, A., Segarra-Martí, J., Roca-Sanjuán, D., Merchán, M., Excitation of Nucleobases from a Computational Perspective I: Reaction Paths. (2015) Top. Curr. Chem., 355, pp. 57-97
Barbatti, M., Borin, A.C., Ullrich, S., Photoinduced Processes in Nucleic Acids (2014) Top. Curr. Chem., 355, pp. 1-32
Improta, R., Santoro, F., Blancafort, L., Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (2016) Chem. Rev., 116 (6), pp. 3540-3593
Mai, S., Richter, M., Marquetand, P., González, L., Excitation of Nucleobases from a Computational Perspective II: Dynamics (2015) Photoinduced Phenomena in Nucleic Acids I: Nucleobases in the Gas Phase and in Solvents, pp. 99-153. , Barbatti, M. Borin, C. A. Ullrich, S. Springer International Publishing: Cham, Switzerland
Barbatti, M., Aquino, A.J.A., Szymczak, J.J., Nachtigallová, D., Hobza, P., Lischka, H., Relaxation Mechanisms of UV-Photoexcited DNA and RNA Nucleobases (2010) Proc. Natl. Acad. Sci. U. S. A., 107 (50), pp. 21453-21458
Markovitsi, D., Gustavsson, T., Talbot, F., Excited States and Energy Transfer among DNA Bases in Double Helices (2007) Photochem. Photobiol. Sci., 6 (7), pp. 717-724
Gustavsson, T., Improta, R., Markovitsi, D., DNA/RNA: Building Blocks of Life under UV Irradiation (2010) J. Phys. Chem. Lett., 1 (13), pp. 2025-2030
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 (2006) J. Am. Chem. Soc., 128 (50), pp. 16312-16322
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 (2008) J. Phys. Chem. B, 112 (35), pp. 10769-10772
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 (2008) Theor. Chem. Acc., 120 (46), pp. 491-497
Altavilla, S.F., Segarra-Martí, J., Nenov, A., Conti, I., Rivalta, I., Garavelli, M., Deciphering the Photochemical Mechanisms Describing the UV-Induced Processes Occurring in Solvated Guanine Monophosphate (2015) Front. Chem., 3, pp. 1-12
Buchner, F., Nakayama, A., Yamazaki, S., Ritze, H.H., Lübcke, A., Excited-State Relaxation of Hydrated Thymine and Thymidine Measured by Liquid-Jet Photoelectron Spectroscopy: Experiment and Simulation (2015) J. Am. Chem. Soc., 137 (8), pp. 2931-2938
Zhang, X., Herbert, J.M., Excited-State Deactivation Pathways in Uracil versus Hydrated Uracil: Solvatochromatic Shift in the 1nπ∗ State Is the Key (2014) J. Phys. Chem. B, 118 (28), pp. 7806-7817
Kistler, K.A., Matsika, S., Solvatochromic Shifts of Uracil and Cytosine Using a Combined Multireference Configuration Interaction/molecular Dynamics Approach and the Fragment Molecular Orbital Method (2009) J. Phys. Chem. A, 113 (45), pp. 12396-12403
Gustavsson, T., Bányász, A., Lazzarotto, E., Markovitsi, D., Scalmani, G., Frisch, M.J., Barone, V., Improta, R., Singlet Excited-State Behavior of Uracil and Thymine in Aqueous Solution: A Combined Experimental and Computational Study of 11 Uracil Derivatives (2006) J. Am. Chem. Soc., 128 (2), pp. 607-619
Martínez-Fernandez, L., Pepino, A.J., Segarra-Marti, J., Banyasz, A., Garavelli, M., Improta, R., Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models (2016) J. Chem. Theory Comput., 12, pp. 4430-4439
Du, L., Lan, Z., An on-the-Fly Surface-Hopping Program Jade for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and Applications (2015) J. Chem. Theory Comput., 11 (4), pp. 1360-1374
Cohen, B., Crespo-Hernández, C.E., Kohler, B., Crespo-Hernandez, C.E., Kohler, B., Strickler-Berg Analysis of Excited Singlet State Dynamics in DNA and RNA Nucleosides (2004) Faraday Discuss., 127, pp. 137-147
Peon, J., Zewail, A.H., DNA/RNA Nucleotides and Nucleosides: Direct Measurement of Excited-State Lifetimes by Femtosecond Fluorescence up-Conversion (2001) Chem. Phys. Lett., 348 (34), pp. 255-262
Richter, M., Mai, S., Marquetand, P., González, L., Ultrafast Intersystem Crossing Dynamics in Uracil Unravelled by Ab Initio Molecular Dynamics (2014) Phys. Chem. Chem. Phys., 16 (44), pp. 24423-24436
Onidas, D., Markovitsi, D., Marguet, S., Sharonov, A., Gustavsson, T., Fluorescence Properties of DNA Nucleosides and Nucleotides: A Refined Steady-State and Femtosecond Investigation (2002) J. Phys. Chem. B, 106 (43), pp. 11367-11374
Pecourt, J.M.L., Peon, J., Kohler, B., DNA Excited-State Dynamics: Ultrafast Internal Conversion and Vibrational Cooling in a Series of Nucleosides (2001) J. Am. Chem. Soc., 123 (42), pp. 10370-10378
Nakayama, A., Harabuchi, Y., Yamazaki, S., Taketsugu, T., Photophysics of Cytosine Tautomers: New Insights into the Nonradiative Decay Mechanisms from MS-CASPT2 Potential Energy Calculations and Excited-State Molecular Dynamics Simulations (2013) Phys. Chem. Chem. Phys., 15 (29), pp. 12322-12339
Ma, C., Cheng, C.C., Chan, C.T., Chan, R.C., Kwok, W., Remarkable Effects of Solvent and Substitution on the Photo-Dynamics of Cytosine: A Femtosecond Broadband Time-Resolved Fluorescence and (2015) Phys. Chem. Chem. Phys., 17, pp. 19045-19057
Rottger, K., Marroux, H., Bohnke, H., Morris, D., Voice, A., Temps, F., Roberts, G.M., Orr-Ewing, A., Probing the Excited State Relaxation Dynamics of Pyrimidine Nucleosides in Chloroform Solution (2016) Faraday Discuss., 194, pp. 683-708
Xue, B., Yabushita, A., Kobayashi, T., Ultrafast Dynamics of Uracil and Thymine Studied Using a Sub-10 Fs Deep Ultraviolet Laser (2016) Phys. Chem. Chem. Phys., 18 (25), pp. 17044-17053
Johnson, P.J.M., Halpin, A., Morizumi, T., Prokhorenko, V.I., Ernst, O.P., Miller, R.J.D., Local Vibrational Coherences Drive the Primary Photochemistry of Vision (2015) Nat. Chem., 7 (12), pp. 980-986
Merchán, M., González-Luque, R., Climent, T., Serrano-Andrés, L., Rodríguez, E., Reguero, M., Peláez, D., Unified Model for the Ultrafast Decay of Pyrimidine Nucleobases (2006) J. Phys. Chem. B, 110 (51), pp. 26471-26476
Barbatti, M., Photorelaxation Induced by Water-Chromophore Electron Transfer (2014) J. Am. Chem. Soc., 136 (29), pp. 10246-10249
Wu, X., Karsili, T.N.V., Domcke, W., Excited-State Deactivation of Adenine by Electron-Driven Proton-Transfer Reactions in Adenine-Water Clusters: A Computational Study (2016) ChemPhysChem, 17 (9), pp. 1298-1304
Shinobu, A., Agmon, N., Proton Wire Dynamics in the Green Fluorescent Protein (2017) J. Chem. Theory Comput., 13 (1), pp. 353-369
Roberts, G.M., Marroux, H.J.B., Grubb, M.P., Ashfold, M.N.R., Orr-Ewing, A.J., On the Participation of Photoinduced N-H Bond Fission in Aqueous Adenine at 266 and 220 Nm: A Combined Ultrafast Transient Electronic and Vibrational Absorption Spectroscopy Study (2014) J. Phys. Chem. A, 118 (47), pp. 11211-11225
Gustavsson, T., Sharonov, A., Onidas, D., Markovitsi, D., Adenine, Deoxyadenosine and Deoxyadenosine 5′-Monophosphate Studied by Femtosecond Fluorescence Upconversion Spectroscopy (2002) Chem. Phys. Lett., 356 (12), pp. 49-54
Gustavsson, T., Sarkar, N., Lazzarotto, E., Markovitsi, D., Improta, R., Singlet Excited State Dynamics of Uracil and Thymine Derivatives: A Femtosecond Fluorescence Upconversion Study in Acetonitrile (2006) Chem. Phys. Lett., 429 (46), pp. 551-557
Slavíček, P., Winter, B., Faubel, M., Bradforth, S.E., Jungwirth, P., Ionization Energies of Aqueous Nucleic Acids: Photoelectron Spectroscopy of Pyrimidine Nucleosides and Ab Initio Calculations (2009) J. Am. Chem. Soc., 131 (18), pp. 6460-6467
Chatterley, A.S., West, C.W., Stavros, V.G., Verlet, J.R.R., Time-Resolved Photoelectron Imaging of the Isolated Deprotonated Nucleotides (2014) Chem. Sci., 5, pp. 3963-3975
Horton, S., Liu, Y., Matsika, S., Weinacht, T., Time-Resolved UV-Pump (4.8eV) and Vacuum-UV (8eV) Probe Experiments of Neutral Excited State Dynamics (2016) 47th Annual Meeting of the APS Division of Atomic, Molecular and Optical Physics
Nenov, A., Giussani, A., Segarra-Martí, J., Jaiswal, V.K., Rivalta, I., Cerullo, G., Mukamel, S., Garavelli, M., Modeling the High-Energy Electronic State Manifold of Adenine: Calibration for Nonlinear Electronic Spectroscopy (2015) J. Chem. Phys., 142 (21), p. 212443
Prokhorenko, V.I., Picchiotti, A., Miller, R.J.D., New Insight into Photophysics of DNA Nucleobases (2016) International Conference on Ultrafast Phenomena, , UM3A.4
Tuna, D., Sobolewski, A.L., Domcke, W., Mechanisms of Ultrafast Excited-State Deactivation in Adenosine (2014) J. Phys. Chem. A, 118 (1), pp. 122-127
Tuna, D., Domcke, W., Excited-State Deactivation in 8-Oxo-Deoxyguanosine: Comparison between Anionic and Neutral Forms (2016) Phys. Chem. Chem. Phys., 18 (2), pp. 947-955
Beckstead, A.A., Zhang, Y., De Vries, S., Kohler, B., Life in the Light: Nucleic Acid Photoproperties as a Legacy of Chemical Evolution (2016) Phys. Chem. Chem. Phys., 18, pp. 24228-24238
Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides
For the first time, ultrafast deactivations of photoexcited water-solvated pyrimidine nucleosides are mapped employing hybrid QM(CASPT2)/MM(AMBER) optimizations that account for explicit solvation, sugar effects, and dynamically correlated potential energy surfaces. Low-energy S1/S0 ring-puckering and ring-opening conical intersections (CIs) are suggested to drive the ballistic coherent subpicosecond (<200 fs) decays observed in each pyrimidine, the energetics controlling this processes correlating with the lifetimes observed. A second bright 1π2π∗ state, promoting excited-state population branching and leading toward a third CI with the ground state, is proposed to be involved in the slower ultrafast decay component observed in Thd/Cyd. The transient spectroscopic signals of the competitive deactivation channels are computed for the first time. A general unified scheme for ultrafast deactivations, spanning the sub- to few-picosecond time domain, is eventually delivered, with computed data that matches the experiments and elucidates the intrinsic photoprotection mechanism in solvated pyrimidine nucleosides. © 2017 American Chemical Society.
For the first time, ultrafast deactivations of photoexcited water-solvated pyrimidine nucleosides are mapped employing hybrid QM(CASPT2)/MM(AMBER) optimizations that account for explicit solvation, sugar effects, and dynamically correlated potential energy surfaces. Low-energy S1/S0 ring-puckering and ring-opening conical intersections (CIs) are suggested to drive the ballistic coherent subpicosecond (<200 fs) decays observed in each pyrimidine, the energetics controlling this processes correlating with the lifetimes observed. A second bright 1π2π∗ state, promoting excited-state population branching and leading toward a third CI with the ground state, is proposed to be involved in the slower ultrafast decay component observed in Thd/Cyd. The transient spectroscopic signals of the competitive deactivation channels are computed for the first time. A general unified scheme for ultrafast deactivations, spanning the sub- to few-picosecond time domain, is eventually delivered, with computed data that matches the experiments and elucidates the intrinsic photoprotection mechanism in solvated pyrimidine nucleosides. © 2017 American Chemical Society.
Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides
Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides
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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 (891 views)
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018 Mar 26; 24(18): 4729-4735.
Impact Factor: 5.476
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Diana D, Di Salvo C, Celentano V, De Rosa L, Romanelli A, Fattorusso R, D'Andrea LD
* Conformational stabilization of a beta-hairpin through a triazole-tryptophan interaction (365 views)
Org Biomol Chem (ISSN: 1477-0539electronic, 1477-0520linking), 2018 Jan 31; 16(5): 787-795.
Impact Factor: 3.451
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Sgarlata C, Mugridge JS, Pluth MD, Zito V, Arena G, Raymond KN
* Different and Often Opposing Forces Drive the Encapsulation and Multiple Exterior Binding of Charged Guests to a M4 L6 Supramolecular Vessel in Water (258 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017 Nov 27; 23(66): 16813-16818.
Impact Factor: 5.16
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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 (766 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017 Oct 26; 23(60): 15177-15188.
Impact Factor: 5.16
View Export to BibTeX Export to EndNote
De Rosa L, Romanelli A, D'Andrea LD
* Chemical ligation in Structural Biology in “Chemical Ligation: Tools for Biomolecules Synthesis and Modification” (286 views)
John Wiley & Sons, 2017; N/D: N/D-N/D.
Impact Factor: 0
View Export to BibTeX Export to EndNote
Martínez-fernández L, Granucci G, Pollum M, Crespo-hernández CE, Persico M, Corral I
* Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs (364 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017; 23(11): 2619-2627.
Impact Factor: 5.16
View Export to BibTeX Export to EndNote
De Rosa L, Romanelli A, D'Andrea LD
* Introduction to chemical ligation reactions in Chemical Ligation: Tools for Biomolecules Synthesis and Modification (294 views)
John Wiley & Sons, 2017; N/D: N/D-N/D.
Impact Factor: 0
View Export to BibTeX Export to EndNote
Santoro AM, Cunsolo A, D'Urso A, Sbardella D, Tundo GR, Ciaccio C, Coletta M, Diana D, Fattorusso R, Persico M, Di Dato A, Fattorusso C, Milardi D, Purrello R
* Cationic porphyrins are tunable gatekeepers of the 20S proteasome (679 views) (PDF 233 views)
Chem Sci (ISSN: 2041-6520, 2041-6520linking, 2041-6520print), 2016; 7(2): 1286-1297.
Impact Factor: 8.668
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Improta R, Santoro F, Blancafort L
* Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (1013 views)
Chem Rev (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
Impact Factor: 47.928
View Export to BibTeX Export to EndNote
Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S
* TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids (370 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
Impact Factor: 2.883
View Export to BibTeX Export to 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 (474 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(23): 6131-6139.
Impact Factor: 2.883
View Export to BibTeX Export to EndNote
Roviello GN, Roviello GN, Musumeci D, Capasso D, Di Gaetano S, Costanzo M, Pedone C
* Synthesis and supramolecular assembly of 1, 3-bis(1 '-uracilyl)-2-propanone (404 views)
Rsc Adv (ISSN: 2046-2069), 2014; 4(54): 28691-28698.
Impact Factor: 3.84
View Export to BibTeX Export to EndNote
Hunger K, Buschhaus L, Biemann L, Braun M, Kovalenko S, Improta R, Kleinermanns K
* UV-light-induced hydrogen transfer in guanosine-guanosine aggregates (431 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Apr; 19(17): 5425-5431.
Impact Factor: 5.696
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Grasso G, Spoto G
* Plasmonics for the study of metal ion-protein interactions (471 views)
Anal Bioanal Chem (ISSN: 1618-2642), 2013 Feb; 405(6): 1833-1843.
Impact Factor: 3.578
View Export to BibTeX Export to EndNote
Causa F, Della Moglie R, Iaccino E, Mimmi S, Marasco D, Scognamiglio PL, Battista E, Palmieri C, Cosenza C, Sanguigno L, Quinto I, Scala G, Netti PA
* Evolutionary screening and adsorption behavior of engineered M13 bacteriophage and derived dodecapeptide for selective decoration of gold interfaces (415 views)
J Colloid Interface Sci (ISSN: 0021-9797, 1095-7103electronic, 0021-9797linking), 2013 Jan 1; 389(1): 220-229.
Impact Factor: 1.646
View Export to BibTeX Export to EndNote
Zanoli LM, Licciardello M, D'Agata R, Lantano C, Calabretta A, Corradini R, Marchelli R, Spoto G
* Peptide nucleic acid molecular beacons for the detection of PCR amplicons in droplet-based microfluidic devices (360 views)
Anal Bioanal Chem (ISSN: 1618-2642), 2013 Jan; 405(2-3): 615-624.
Impact Factor: 3.578
View Export to BibTeX Export to EndNote
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
View Export to BibTeX Export to EndNote
Travaglia A, La Mendola D, Magrì A, Nicoletti VG, Pietropaolo A, Rizzarelli E
* Copper, BDNF and Its N-terminal domain: inorganic features and biological perspectives (522 views)
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2012 Dec 3; 18(49): 15618-15631.
Impact Factor: 5.831
View Export to BibTeX Export to EndNote
D'Agata R, Corradini R, Ferretti C, Zanoli L, Gatti M, Marchelli R, Spoto G
* Ultrasensitive detection of non-amplified genomic DNA (434 views)
Lect Notes Electr Eng, 2010 May 15; 91LNEE: 485-488.
Impact Factor: 0
View Export to BibTeX Export to EndNote
D'Agata R, Corradini R, Ferretti C, Zanoli L, Gatti M, Marchelli R, Spoto G
* Ultrasensitive detection of non-amplified genomic DNA by nanoparticle-enhanced surface plasmon resonance imaging (425 views)
Biosens Bioelectron (ISSN: 0956-5663, 1873-4235electronic), 2010 May 15; 25(9): 2095-2100.
Impact Factor: 5.361
View Export to BibTeX Export to EndNote
Vitagliano L, Stanzione F, De Simone A, Esposito L
* Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces (690 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.
Impact Factor: 2.605
View Export to BibTeX Export to EndNote
Improta R, Barone V, Lami A, Santoro F
* Quantum dynamics of the ultrafast ππ*/nπ* population transfer in uracil and 5-fluoro-uracil in water and acetonitrile (289 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2009 Oct 29; 113(43): 14491-14503.
Impact Factor: 3.471
View Export to BibTeX Export to EndNote
Santoro F, Improta R, Barone V
* Three-dimensional diabatic models for the ππ* → nπ*excited-state decay of uracil derivatives in solution (253 views)
Theor Chem Acc (ISSN: 1432-881x), 2009 Jun; 123(3-4): 273-286.
Impact Factor: 2.584
View Export to BibTeX Export to EndNote
Karunakaran V, Kleinermanns K, Improta R, Kovalenko SA
* Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations (278 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.
Impact Factor: 8.58
View Export to BibTeX Export to EndNote
Mercier Y, Santoro F, Reguero M, Improta R
* The decay from the dark nπ* excited state in uracil: An integrated CASPT2/CASSCF and PCM/TD-DFT study in the gas phase and in water (343 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2008 Sep 4; 112(35): 10769-10772.
Impact Factor: 4.189
View Export to BibTeX Export to EndNote
Improta R, Scalmani G, Frisch MJ, Barone V
* Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach (461 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Sep 21; 127(7): N/D-N/D.
Impact Factor: 3.044
View Export to BibTeX Export to EndNote
Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (351 views)
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.
Impact Factor: 3.247
View Export to BibTeX Export to EndNote
Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics (339 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.
Impact Factor: 3.166
View Export to BibTeX Export to EndNote
Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R
* Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives (484 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.
Impact Factor: 7.696
View Export to BibTeX Export to EndNote
Caridi A, Cufari A, Lovino R, Palumbo R, Tedesco I
* Influence of Yeast on Polyphenol Composition of Wine (243 views)
Food Technol Biotechnol (ISSN: 1330-9862), 2004 Jan; 42(1): 37-40.
Impact Factor: 0.475
View Export to BibTeX Export to EndNote
Saracino GAA, Tedeschi A, D'Errico G, Improta R, Franco L, Ruzzi M, Corvaia C, Barone V
* Solvent polarity and pH effects on the magnetic properties of ionizable nitroxide radicals: A combined computational and experimental study of 2, 2, 5, 5-tetramethyl-3-carboxypyrrolidine and 2, 2, 6, 6-tetramethyl-4-carboxypiperidine nitroxides (283 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2002; 106(44): 10700-10706.
Impact Factor: 2.765
View Export to BibTeX Export to EndNote
Crisma M, Formaggio F, Valle G, Toniolo C, Saviano M, Iacovino R, Zaccaro L, Benedetti E
Experimental evidence at atomic resolution for intramolecular N- H···π (phenyl) interactions in a family of amino acid derivatives (418 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(1): 1-6.
Impact Factor: 2.425
View Export to BibTeX Export to EndNote
Zanotti G, Maione A, Rossi F, Saviano M, Pedone C, Tancredi T
BIOACTIVE PEPTIDES - CONFORMATIONAL STUDY OF A CYSTINYL CYCLOHEPTAPEPTIDE IN ITS FREE AND CALCIUM COMPLEXED FORMS (581 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Jul; 33(7): 1083-1091.
Impact Factor: 2.425
View Export to BibTeX Export to EndNote
* Self-Assembling of Fmoc-GC Peptide Nucleic Acid Dimers into Highly Fluorescent Aggregates (891 views)
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018 Mar 26; 24(18): 4729-4735.
Impact Factor: 5.476
View Export to BibTeX Export to EndNote
Diana D, Di Salvo C, Celentano V, De Rosa L, Romanelli A, Fattorusso R, D'Andrea LD
* Conformational stabilization of a beta-hairpin through a triazole-tryptophan interaction (365 views)
Org Biomol Chem (ISSN: 1477-0539electronic, 1477-0520linking), 2018 Jan 31; 16(5): 787-795.
Impact Factor: 3.451
View Export to BibTeX Export to EndNote
Sgarlata C, Mugridge JS, Pluth MD, Zito V, Arena G, Raymond KN
* Different and Often Opposing Forces Drive the Encapsulation and Multiple Exterior Binding of Charged Guests to a M4 L6 Supramolecular Vessel in Water (258 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017 Nov 27; 23(66): 16813-16818.
Impact Factor: 5.16
View Export to BibTeX Export to 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 (766 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017 Oct 26; 23(60): 15177-15188.
Impact Factor: 5.16
View Export to BibTeX Export to EndNote
De Rosa L, Romanelli A, D'Andrea LD
* Chemical ligation in Structural Biology in “Chemical Ligation: Tools for Biomolecules Synthesis and Modification” (286 views)
John Wiley & Sons, 2017; N/D: N/D-N/D.
Impact Factor: 0
View Export to BibTeX Export to EndNote
Martínez-fernández L, Granucci G, Pollum M, Crespo-hernández CE, Persico M, Corral I
* Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs (364 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017; 23(11): 2619-2627.
Impact Factor: 5.16
View Export to BibTeX Export to EndNote
De Rosa L, Romanelli A, D'Andrea LD
* Introduction to chemical ligation reactions in Chemical Ligation: Tools for Biomolecules Synthesis and Modification (294 views)
John Wiley & Sons, 2017; N/D: N/D-N/D.
Impact Factor: 0
View Export to BibTeX Export to EndNote
Santoro AM, Cunsolo A, D'Urso A, Sbardella D, Tundo GR, Ciaccio C, Coletta M, Diana D, Fattorusso R, Persico M, Di Dato A, Fattorusso C, Milardi D, Purrello R
* Cationic porphyrins are tunable gatekeepers of the 20S proteasome (679 views) (PDF 233 views)
Chem Sci (ISSN: 2041-6520, 2041-6520linking, 2041-6520print), 2016; 7(2): 1286-1297.
Impact Factor: 8.668
View Export to BibTeX Export to EndNote
Improta R, Santoro F, Blancafort L
* Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (1013 views)
Chem Rev (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
Impact Factor: 47.928
View Export to BibTeX Export to EndNote
Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S
* TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids (370 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
Impact Factor: 2.883
View Export to BibTeX Export to 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 (474 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(23): 6131-6139.
Impact Factor: 2.883
View Export to BibTeX Export to EndNote
Roviello GN, Roviello GN, Musumeci D, Capasso D, Di Gaetano S, Costanzo M, Pedone C
* Synthesis and supramolecular assembly of 1, 3-bis(1 '-uracilyl)-2-propanone (404 views)
Rsc Adv (ISSN: 2046-2069), 2014; 4(54): 28691-28698.
Impact Factor: 3.84
View Export to BibTeX Export to EndNote
Hunger K, Buschhaus L, Biemann L, Braun M, Kovalenko S, Improta R, Kleinermanns K
* UV-light-induced hydrogen transfer in guanosine-guanosine aggregates (431 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Apr; 19(17): 5425-5431.
Impact Factor: 5.696
View Export to BibTeX Export to EndNote
Grasso G, Spoto G
* Plasmonics for the study of metal ion-protein interactions (471 views)
Anal Bioanal Chem (ISSN: 1618-2642), 2013 Feb; 405(6): 1833-1843.
Impact Factor: 3.578
View Export to BibTeX Export to EndNote
Causa F, Della Moglie R, Iaccino E, Mimmi S, Marasco D, Scognamiglio PL, Battista E, Palmieri C, Cosenza C, Sanguigno L, Quinto I, Scala G, Netti PA
* Evolutionary screening and adsorption behavior of engineered M13 bacteriophage and derived dodecapeptide for selective decoration of gold interfaces (415 views)
J Colloid Interface Sci (ISSN: 0021-9797, 1095-7103electronic, 0021-9797linking), 2013 Jan 1; 389(1): 220-229.
Impact Factor: 1.646
View Export to BibTeX Export to EndNote
Zanoli LM, Licciardello M, D'Agata R, Lantano C, Calabretta A, Corradini R, Marchelli R, Spoto G
* Peptide nucleic acid molecular beacons for the detection of PCR amplicons in droplet-based microfluidic devices (360 views)
Anal Bioanal Chem (ISSN: 1618-2642), 2013 Jan; 405(2-3): 615-624.
Impact Factor: 3.578
View Export to BibTeX Export to EndNote
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
View Export to BibTeX Export to EndNote
Travaglia A, La Mendola D, Magrì A, Nicoletti VG, Pietropaolo A, Rizzarelli E
* Copper, BDNF and Its N-terminal domain: inorganic features and biological perspectives (522 views)
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2012 Dec 3; 18(49): 15618-15631.
Impact Factor: 5.831
View Export to BibTeX Export to EndNote
D'Agata R, Corradini R, Ferretti C, Zanoli L, Gatti M, Marchelli R, Spoto G
* Ultrasensitive detection of non-amplified genomic DNA (434 views)
Lect Notes Electr Eng, 2010 May 15; 91LNEE: 485-488.
Impact Factor: 0
View Export to BibTeX Export to EndNote
D'Agata R, Corradini R, Ferretti C, Zanoli L, Gatti M, Marchelli R, Spoto G
* Ultrasensitive detection of non-amplified genomic DNA by nanoparticle-enhanced surface plasmon resonance imaging (425 views)
Biosens Bioelectron (ISSN: 0956-5663, 1873-4235electronic), 2010 May 15; 25(9): 2095-2100.
Impact Factor: 5.361
View Export to BibTeX Export to EndNote
Vitagliano L, Stanzione F, De Simone A, Esposito L
* Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces (690 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.
Impact Factor: 2.605
View Export to BibTeX Export to EndNote
Improta R, Barone V, Lami A, Santoro F
* Quantum dynamics of the ultrafast ππ*/nπ* population transfer in uracil and 5-fluoro-uracil in water and acetonitrile (289 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2009 Oct 29; 113(43): 14491-14503.
Impact Factor: 3.471
View Export to BibTeX Export to EndNote
Santoro F, Improta R, Barone V
* Three-dimensional diabatic models for the ππ* → nπ*excited-state decay of uracil derivatives in solution (253 views)
Theor Chem Acc (ISSN: 1432-881x), 2009 Jun; 123(3-4): 273-286.
Impact Factor: 2.584
View Export to BibTeX Export to EndNote
Karunakaran V, Kleinermanns K, Improta R, Kovalenko SA
* Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations (278 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.
Impact Factor: 8.58
View Export to BibTeX Export to EndNote
Mercier Y, Santoro F, Reguero M, Improta R
* The decay from the dark nπ* excited state in uracil: An integrated CASPT2/CASSCF and PCM/TD-DFT study in the gas phase and in water (343 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2008 Sep 4; 112(35): 10769-10772.
Impact Factor: 4.189
View Export to BibTeX Export to EndNote
Improta R, Scalmani G, Frisch MJ, Barone V
* Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach (461 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Sep 21; 127(7): N/D-N/D.
Impact Factor: 3.044
View Export to BibTeX Export to EndNote
Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (351 views)
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.
Impact Factor: 3.247
View Export to BibTeX Export to EndNote
Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics (339 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.
Impact Factor: 3.166
View Export to BibTeX Export to EndNote
Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R
* Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives (484 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.
Impact Factor: 7.696
View Export to BibTeX Export to EndNote
Caridi A, Cufari A, Lovino R, Palumbo R, Tedesco I
* Influence of Yeast on Polyphenol Composition of Wine (243 views)
Food Technol Biotechnol (ISSN: 1330-9862), 2004 Jan; 42(1): 37-40.
Impact Factor: 0.475
View Export to BibTeX Export to EndNote
Saracino GAA, Tedeschi A, D'Errico G, Improta R, Franco L, Ruzzi M, Corvaia C, Barone V
* Solvent polarity and pH effects on the magnetic properties of ionizable nitroxide radicals: A combined computational and experimental study of 2, 2, 5, 5-tetramethyl-3-carboxypyrrolidine and 2, 2, 6, 6-tetramethyl-4-carboxypiperidine nitroxides (283 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2002; 106(44): 10700-10706.
Impact Factor: 2.765
View Export to BibTeX Export to EndNote
Crisma M, Formaggio F, Valle G, Toniolo C, Saviano M, Iacovino R, Zaccaro L, Benedetti E
Experimental evidence at atomic resolution for intramolecular N- H···π (phenyl) interactions in a family of amino acid derivatives (418 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(1): 1-6.
Impact Factor: 2.425
View Export to BibTeX Export to EndNote
Zanotti G, Maione A, Rossi F, Saviano M, Pedone C, Tancredi T
BIOACTIVE PEPTIDES - CONFORMATIONAL STUDY OF A CYSTINYL CYCLOHEPTAPEPTIDE IN ITS FREE AND CALCIUM COMPLEXED FORMS (581 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Jul; 33(7): 1083-1091.
Impact Factor: 2.425
View Export to BibTeX Export to EndNote
33 Records (30 excluding Abstracts).
Total impact factor: 166.578 (157.121 excluding Abstracts).
Total 5 year impact factor: 175.613 (166.385 excluding Abstracts).
Total impact factor: 166.578 (157.121 excluding Abstracts).
Total 5 year impact factor: 175.613 (166.385 excluding Abstracts).
296 views. Last view on Saturday 20 May 2023, 15:25:25
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