UV-Induced Proton Transfer between DNA Strands (150 visite) (PDF privato 129 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2015 Jun 10; 137(22): 7059-7062.
Tipo di articolo: Journal Article, Research Support, Non-U. S. Gov'T, Non-P. H. S.,
Impact factor: 13.038, Impact factor a 5 anni: 12.376
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84935863950&partnerID=40&md5=e5ec12d4c827729bc7c5d5879ddcd610
Parole chiave: Excited States, Free Radical Reactions, Proton Transfer, Quantum Theory, Vibrations (mechanical), Charge Recombinations, Electron Transfer, Mutagenic Tautomers, Photo-Induced, Picosecond Time Scale, Quantum-Mechanical Calculation, Radical Anions, Single-Stranded Dna, Double Stranded Dna, Acid Dissociation Constant, Article, Base Pairing, Dna Helix, Dna Strand, Electron Transport, Nucleotide Sequence, Proton Transport, Quantum Mechanics, Spectroscopy, Ultraviolet Radiation,
Affiliazioni:
*** IBB - CNR ***
Department of Chemistry and Biochemistry, Montana State University, Bozeman, MT, United States
Department of Physics, United States Air Force Academy, USAF AcademyCO, United States
Consiglio Nationale Delle Ricerche, Istituto di Biostrutture e Bioimmagini, Via Mezzocannone 16, Naples, Italy
daggerDepartment of Chemistry and Biochemistry, Montana State University, Bozeman, Montana 59717, United States., double daggerDepartment of Physics, United States Air Force Academy, USAF Academy, Colorado 80840, United States., section signConsiglio Nationale delle Ricerche, Istituto di Biostrutture e Bioimmagini, Via Mezzocannone 16, 80136 Naples, Italy.,
Riferimenti:
Crespo-Hernández, C.E., Cohen, B., Kohler, B., (2005) Nature, 436, p. 114
Markovitsi, D., Gustavsson, T., Vayá, I., (2010) J. Phys. Chem. Lett., 1, p. 3271
Bucher, D.B., Schlueter, A., Carell, T., Zinth, W., (2014) Angew. Chem., Int. Ed., 53
Doorley, G.W., Wojdyla, M., Watson, G.W., Towrie, M., Parker, A.W., Kelly, J.M., Quinn, S.J., (2013) J. Phys. Chem. Lett., 4, p. 2739
Bucher, D.B., Pilles, B.M., Carell, T., Zinth, W., (2014) Proc. Natl. Acad. Sci. U.S.A., 111, p. 4369
Zhang, Y., Dood, J., Beckstead, A.A., Li, X.B., Nguyen, K.V., Burrows, C.J., Improta, R., Kohler, B., (2014) Proc. Natl. Acad. Sci. U.S.A., 111
De La Harpe, K., Kohler, B., (2011) J. Phys. Chem. Lett., 2, p. 133
Sobolewski, A.L., Domcke, W., (2004) Phys. Chem. Chem. Phys., 6, p. 2763
Perun, S., Sobolewski, A.L., Domcke, W., (2006) J. Phys. Chem. A, 110, p. 9031
Steenken, S., (1992) Free Radical Res. Commun., 16, p. 349
Kumar, A., Sevilla, M.D., (2010) Chem. Rev., 110, p. 7002
Kobayashi, K., Tagawa, S., (2003) J. Am. Chem. Soc., 125
Yamagami, R., Kobayashi, K., Tagawa, S., (2008) J. Am. Chem. Soc., 130
Yates, B.F., Bouma, W.J., Radom, L., (1984) J. Am. Chem. Soc., 106, p. 5805
Huynh, M.H.V., Meyer, T.J., (2007) Chem. Rev., 107, p. 5004
Colson, A.-O., Besler, B., Close, D.M., Sevilla, M.D., (1992) J. Phys. Chem., 96, p. 661
Bertran, J., Oliva, A., Rodríguez-Santiago, L., Sodupe, M., (1998) J. Am. Chem. Soc., 120, p. 8159
Li, X., Cai, Z., Sevilla, M.D., (2001) J. Phys. Chem. B, 105
Zhao, Y., Truhlar, D.G., (2008) Acc. Chem. Res., 41, p. 157
Krummel, A.T., Mukherjee, P., Zanni, M.T., (2003) J. Phys. Chem. B, 107, p. 9165
Peng, C.S., Jones, K.C., Tokmakoff, A., (2011) J. Am. Chem. Soc., 133
Doorley, G.W., McGovern, D.A., George, M.W., Towrie, M., Parker, A.W., Kelly, J.M., Quinn, S.J., (2009) Angew. Chem., Int. Ed., 48, p. 123
Ko, C., Hammes-Schiffer, S., (2013) J. Phys. Chem. Lett., 4, p. 2540
Kuimova, M.K., Cowan, A.J., Matousek, P., Parker, A.W., Sun, X.Z., Towrie, M., George, M.W., (2006) Proc. Natl. Acad. Sci. U.S.A., 103, p. 2150
Parker, A.W., Lin, C.Y., George, M.W., Towrie, M., Kuimova, M.K., (2010) J. Phys. Chem. B, 114, p. 3660
Lange, A.W., Herbert, J.M., (2009) J. Am. Chem. Soc., 131, p. 3913
Chen, J., Thazhathveetil, A.K., Lewis, F.D., Kohler, B., (2013) J. Am. Chem. Soc., 135
Moser, C.C., Keske, J.M., Warncke, K., Farid, R.S., Dutton, P.L., (1992) Nature, 355, p. 796
Löwdin, P.O., (1963) Rev. Mod. Phys., 35, p. 724
Lewis, F.D., Wasielewski, M.R., (2013) Pure Appl. Chem., 85, p. 1379
Black, P.J., Bernhard, W.A., (2012) J. Phys. Chem. B, 116
Gust, D., Moore, T.A., Moore, A.L., (2001) Acc. Chem. Res., 34, p. 40
Pettersen, E.F., Goddard, T.D., Huang, C.C., Couch, G.S., Greenblatt, D.M., Meng, E.C., Ferrin, T.E., (2004) J. Comput. Chem., 25, p. 1605
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2015 Jun 10; 137(22): 7059-7062.
Tipo di articolo: Journal Article, Research Support, Non-U. S. Gov'T, Non-P. H. S.,
Impact factor: 13.038, Impact factor a 5 anni: 12.376
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84935863950&partnerID=40&md5=e5ec12d4c827729bc7c5d5879ddcd610
Parole chiave: Excited States, Free Radical Reactions, Proton Transfer, Quantum Theory, Vibrations (mechanical), Charge Recombinations, Electron Transfer, Mutagenic Tautomers, Photo-Induced, Picosecond Time Scale, Quantum-Mechanical Calculation, Radical Anions, Single-Stranded Dna, Double Stranded Dna, Acid Dissociation Constant, Article, Base Pairing, Dna Helix, Dna Strand, Electron Transport, Nucleotide Sequence, Proton Transport, Quantum Mechanics, Spectroscopy, Ultraviolet Radiation,
Affiliazioni:
*** IBB - CNR ***
Department of Chemistry and Biochemistry, Montana State University, Bozeman, MT, United States
Department of Physics, United States Air Force Academy, USAF AcademyCO, United States
Consiglio Nationale Delle Ricerche, Istituto di Biostrutture e Bioimmagini, Via Mezzocannone 16, Naples, Italy
daggerDepartment of Chemistry and Biochemistry, Montana State University, Bozeman, Montana 59717, United States., double daggerDepartment of Physics, United States Air Force Academy, USAF Academy, Colorado 80840, United States., section signConsiglio Nationale delle Ricerche, Istituto di Biostrutture e Bioimmagini, Via Mezzocannone 16, 80136 Naples, Italy.,
Riferimenti:
Crespo-Hernández, C.E., Cohen, B., Kohler, B., (2005) Nature, 436, p. 114
Markovitsi, D., Gustavsson, T., Vayá, I., (2010) J. Phys. Chem. Lett., 1, p. 3271
Bucher, D.B., Schlueter, A., Carell, T., Zinth, W., (2014) Angew. Chem., Int. Ed., 53
Doorley, G.W., Wojdyla, M., Watson, G.W., Towrie, M., Parker, A.W., Kelly, J.M., Quinn, S.J., (2013) J. Phys. Chem. Lett., 4, p. 2739
Bucher, D.B., Pilles, B.M., Carell, T., Zinth, W., (2014) Proc. Natl. Acad. Sci. U.S.A., 111, p. 4369
Zhang, Y., Dood, J., Beckstead, A.A., Li, X.B., Nguyen, K.V., Burrows, C.J., Improta, R., Kohler, B., (2014) Proc. Natl. Acad. Sci. U.S.A., 111
De La Harpe, K., Kohler, B., (2011) J. Phys. Chem. Lett., 2, p. 133
Sobolewski, A.L., Domcke, W., (2004) Phys. Chem. Chem. Phys., 6, p. 2763
Perun, S., Sobolewski, A.L., Domcke, W., (2006) J. Phys. Chem. A, 110, p. 9031
Steenken, S., (1992) Free Radical Res. Commun., 16, p. 349
Kumar, A., Sevilla, M.D., (2010) Chem. Rev., 110, p. 7002
Kobayashi, K., Tagawa, S., (2003) J. Am. Chem. Soc., 125
Yamagami, R., Kobayashi, K., Tagawa, S., (2008) J. Am. Chem. Soc., 130
Yates, B.F., Bouma, W.J., Radom, L., (1984) J. Am. Chem. Soc., 106, p. 5805
Huynh, M.H.V., Meyer, T.J., (2007) Chem. Rev., 107, p. 5004
Colson, A.-O., Besler, B., Close, D.M., Sevilla, M.D., (1992) J. Phys. Chem., 96, p. 661
Bertran, J., Oliva, A., Rodríguez-Santiago, L., Sodupe, M., (1998) J. Am. Chem. Soc., 120, p. 8159
Li, X., Cai, Z., Sevilla, M.D., (2001) J. Phys. Chem. B, 105
Zhao, Y., Truhlar, D.G., (2008) Acc. Chem. Res., 41, p. 157
Krummel, A.T., Mukherjee, P., Zanni, M.T., (2003) J. Phys. Chem. B, 107, p. 9165
Peng, C.S., Jones, K.C., Tokmakoff, A., (2011) J. Am. Chem. Soc., 133
Doorley, G.W., McGovern, D.A., George, M.W., Towrie, M., Parker, A.W., Kelly, J.M., Quinn, S.J., (2009) Angew. Chem., Int. Ed., 48, p. 123
Ko, C., Hammes-Schiffer, S., (2013) J. Phys. Chem. Lett., 4, p. 2540
Kuimova, M.K., Cowan, A.J., Matousek, P., Parker, A.W., Sun, X.Z., Towrie, M., George, M.W., (2006) Proc. Natl. Acad. Sci. U.S.A., 103, p. 2150
Parker, A.W., Lin, C.Y., George, M.W., Towrie, M., Kuimova, M.K., (2010) J. Phys. Chem. B, 114, p. 3660
Lange, A.W., Herbert, J.M., (2009) J. Am. Chem. Soc., 131, p. 3913
Chen, J., Thazhathveetil, A.K., Lewis, F.D., Kohler, B., (2013) J. Am. Chem. Soc., 135
Moser, C.C., Keske, J.M., Warncke, K., Farid, R.S., Dutton, P.L., (1992) Nature, 355, p. 796
Löwdin, P.O., (1963) Rev. Mod. Phys., 35, p. 724
Lewis, F.D., Wasielewski, M.R., (2013) Pure Appl. Chem., 85, p. 1379
Black, P.J., Bernhard, W.A., (2012) J. Phys. Chem. B, 116
Gust, D., Moore, T.A., Moore, A.L., (2001) Acc. Chem. Res., 34, p. 40
Pettersen, E.F., Goddard, T.D., Huang, C.C., Couch, G.S., Greenblatt, D.M., Meng, E.C., Ferrin, T.E., (2004) J. Comput. Chem., 25, p. 1605
UV radiation creates excited states in DNA that lead to mutagenic photoproducts. Photoexcitation of single-stranded DNA can transfer an electron between stacked bases, but the fate of excited states in the double helix has been intensely debated. Here, photoinduced interstrand proton transfer (PT) triggered by intrastrand electron transfer (ET) is detected for the first time by time-resolved vibrational spectroscopy and quantum mechanical calculations. Long-lived excited states are shown to be oppositely charged base pair radical ions. In two of the duplexes, the base pair radical anions are present as tautomers formed by interstrand PT. Charge recombination occurs on the picosecond time scale preventing the accumulation of damaging radicals or mutagenic tautomers. © 2015 American Chemical Society.
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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
Weigel A, Pfaffe M, Sajadi M, Mahrwald R, Improta R, Barone V, Polli D, Cerullo G, Ernsting NP, Santoro F
* Barrierless photoisomerisation of the "simplest cyanine": Joining computational and femtosecond optical spectroscopies to trace the full reaction path (121 visite)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2012; 14(38): 13350-13364.
Impact Factor: 3.829
Dettagli Esporta in BibTeX Esporta in EndNote
Dargiewicz M, Biczysko M, Improta R, Barone V
* Solvent effects on electron-driven proton-transfer processes: Adenine-thymine base pairs (120 visite)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2012; 14(25): 8981-8989.
Impact Factor: 3.829
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 (124 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 (102 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
Kállay C, Dávid A, Timári S, Nagy EM, Sanna D, Garribba E, Micera G, De Bona P, Pappalardo G, Rizzarelli E, Sóvágó I
* Copper(II) complexes of rat amylin fragments (188 visite)
Dalton T (ISSN: 1477-9234, 1477-9226, 1477-9234electronic), 2011 Oct 14; 40(38): 9711-9721.
Impact Factor: 3.838
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 (212 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
Picconi D, Barone V, Lami A, Santoro F, Improta R
* The Interplay between ππ*/nπ* excited states in gas-phase thymine: A quantum dynamical study (118 visite)
Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-7641electronic), 2011 Jul 11; 12(10): 1957-1968.
Impact Factor: 3.412
Dettagli Esporta in BibTeX Esporta in EndNote
Avila FF, Improta R, Santoro F, Barone V
* Computing the inhomogeneous broadening of electronic transitions in solution: A first-principle quantum mechanical approach (117 visite)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2011; 13(38): 17007-17012.
Impact Factor: 3.573
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Karpati S, Mercier Y, Reguero M, Gustavsson T, Markovitsi D, Improta R
* The peculiar spectral properties of amino-substituted uracils: A combined theoretical and experimental study (146 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Oct 7; 114(39): 12708-12719.
Impact Factor: 3.603
Dettagli Esporta in BibTeX Esporta in EndNote
Changenet-Barret P, Emanuele E, Gustavsson T, Improta R, Kotlyar AB, Markovitsi D, Vaya I, Zakrzewska K, Zikich D
* Optical properties of guanine nanowires: Experimental and theoretical study (120 visite)
J Phys Chem C (ISSN: 1932-7447), 2010 Sep 2; 114(34): 14339-14346.
Impact Factor: 4.524
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Improta R, Markovitsi D
DNA/RNA: Building blocks of life under UV irradiation (123 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2010 Jul 1; 1(13): 2025-2030.
Impact Factor: 6.687
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Lami A, Improta R
* The excited electronic states of adenine-guanine stacked dimers in aqueous solution: A PCM/TD-DFT study (163 visite)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2010; 12(19): 4934-4948.
Impact Factor: 3.454
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Santoro F, Barone V, Lami A
* Vibronic model for the quantum dynamical study of the competition between bright and charge-transfer excited states in single-strand polynucleotides: the adenine dimer case (121 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking), 2009 Dec 31; 113(52): 15346-15354.
Impact Factor: 2.899
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V
* PCM/TD-DFT study of the two lowest excited states of uracil derivatives in solution: The effect of the functional and of the cavity model (129 visite)
J Mol Struct Theochem (ISSN: 0166-1280), 2009 Nov 30; 914(1-3): 87-93.
Impact Factor: 1.216
Dettagli Esporta in BibTeX Esporta in EndNote
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 (150 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2009 Oct 29; 113(43): 14491-14503.
Impact Factor: 3.471
Dettagli Esporta in BibTeX Esporta in EndNote
Angeli C, Improta R, Santoro F
* On the controversial nature of the 1 B-1(u) and 2 B-1(u) states of trans-stilbene: The n-electron valence state perturbation theory approach (136 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online, 0021-9606printed), 2009 May 7; 130(17): N/D-N/D.
Impact Factor: 3.093
Dettagli Esporta in BibTeX Esporta in EndNote
Bonomo RP, Di Natale G, Rizzarelli E, Tabbì G, Vagliasindi LI
* Copper(II) complexes of prion protein PEG11-tetraoctarepeat fragment: spectroscopic and voltammetric studies (173 visite)
Dalton T (ISSN: 1477-9226, 1477-7922, 1477-9234), 2009 Apr 14; (14): 2637-2646.
Impact Factor: 2.908
Dettagli Esporta in BibTeX Esporta in EndNote
Karunakaran V, Kleinermanns K, Improta R, Kovalenko SA
* Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations (147 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.
Impact Factor: 8.58
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Improta R
* The Excited States Decay Of The A-T Dna: A Pcm/Td-Dft Study In Aqueous Solution Of The (9-Methyl-Adenine) 2 (1-Methyl-Thymine) 2 Stacked Tetramer (114 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
Improta R, Ferrante C, Bozio R, Barone V
* The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: A PCM/TD-DFT study (116 visite)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2009; 11(22): 4664-4673.
Impact Factor: 4.116
Dettagli Esporta in BibTeX Esporta in EndNote
Mercier Y, Santoro F, Reguero M, Improta R
* The decay from the dark nπ* excited state in uracil: An integrated CASPT2/CASSCF and PCM/TD-DFT study in the gas phase and in water (138 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2008 Sep 4; 112(35): 10769-10772.
Impact Factor: 4.189
Dettagli Esporta in BibTeX Esporta in EndNote
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 (121 visite)
Theor Chem Acc (ISSN: 1432-881x), 2008 Jul; 120(4-6): 491-497.
Impact Factor: 2.37
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Bányász A, Sarkar N, Markovitsi D, Improta R
* Assessing solvent effects on the singlet excited state lifetime of uracil derivatives: A femtosecond fluorescence upconversion study in alcohols and D2O (114 visite)
Chem Phys (ISSN: 0301-0104), 2008 Jun 23; 350(1-3): 186-192.
Impact Factor: 1.961
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Banyasz A, Sarkar N, Markovitsi D, Improta R
* Statin: New life for an old drug (158 visite)
Pharmacol Res Academic Press, 2008 Jun 23; 350(1-3): 1-2.
Impact Factor: 3.976
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 (129 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
Improta R
The Excited States Of Pi-Stacked 9-Methyl Adenine Oligomers: A Td-Dft Study In Aqueous Solution (103 visite)
Physical Chemistry Chemical Physics, 2008; 10: 2656-2664.
Impact Factor: 2.028
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Benzi C, Improta R
* Excited state properties of sizable molecules in solution: From structure to reactivity (136 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
Bonomo RP, Pappalardo G, Rizzarelli E, Santoro AM, Tabbì G, Vagliasindi LI
* Nitrogen oxide interaction with copper complexes formed by small peptides belonging to the prion protein octa-repeat region (238 visite)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2007 Apr 14; (14): 1400-1408.
Impact Factor: 3.212
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Gustavsson T, Improta R
* Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water (121 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.
Impact Factor: 7.696
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V, Scalmani G, Frisch MJ
* A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution (150 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Sep 7; 125(5): N/D-N/D.
Impact Factor: 3.166
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Sarkar N, Lazzarotto E, Markovitsi D, Barone V, Improta R
* Solvent effect on the singlet excited-state dynamics of 5-fluorouracil in acetonitrile as compared with water (165 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jul 6; 110(26): 12843-12847.
Impact Factor: 4.115
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 (123 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
Improta R, Barone V, Newton MD
* A Parameter Free Quantum Mechanical Approach To The Calculation Of Electron Transfer Rates For Large Systems In Solution (175 visite)
Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-7641electronic), 2006 Jun 12; 7(6): 1211-1215.
Impact Factor: 3.449
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 (296 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 (224 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
Improta R, Barone V
* Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals (145 visite)
Chem Rev (ISSN: 0009-2665), 2004 Mar; 104(3): 1231-1253.
Impact Factor: 20.233
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 (211 visite)
Proc Electrochem Soc, 2004; 10: 29-32.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Cimino P, Improta R, Bifulco G, Riccio R, Gomez-paloma L, Barone V
* Nucleophilic Cyclopropane Ring Opening in Duocarmycin SA Derivatives by Methanol under Acid Conditions: A Quantum Mechanical Study in the Gas-Phase and in Solution (178 visite)
J Org Chem (ISSN: 0022-3263), 2004; 69(8): 2816-2824.
Impact Factor: 3.462
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Mele F, Crescenzi O, Benzi C, Barone V
* Understanding the role of stereoelectronic effects in determining collagen stability. 2. A quantum mechanical/molecular mechanical study of (Proline-Proline-Glycine)n polypeptides (196 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jul 3; 124(26): 7857-7865.
Impact Factor: 6.201
Dettagli Esporta in BibTeX Esporta in EndNote
Benzi C, Improta R, Scalmani G, Barone V
* Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution (116 visite)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2002 Feb; 23(3): 341-350.
Impact Factor: 2.931
Dettagli Esporta in BibTeX Esporta in EndNote
Lombardi A, Marasco D, Maglio O, Di Costanzo L, Nasti F, Pavone V
Miniaturized metalloproteins: Application to iron-sulfur proteins (402 visite)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2000 Oct 24; 97(22): 11922-11927.
Impact Factor: 10.789
Dettagli Esporta in BibTeX Esporta in EndNote
75 Records (72 escludendo Abstract e Conferenze).
Impact factor totale: 421.853 (411.502 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 466.422 (455.566 escludendo Abstract e Conferenze).
Impact factor totale: 421.853 (411.502 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 466.422 (455.566 escludendo Abstract e Conferenze).
Esporta in BibTeX Esporta in EndNote
Ultima modifica di Marco Comerci in data Thursday 08 October 2015, 10:34:44
150 visite. Ultima visita in data Saturday 14 December 2019, 20:00:09
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