Dissociative electron transfer in donor - Peptide - Acceptor systems: Results for kinetic parameters from a density functional/polarizable continuum model
CNR Ibb | back to homepage
▲NavBar
Ricerca avanzata▼
Contiene: [X]      Estesa     Autori: [X]  Tipo di lavoro: [X]   Data iniziale: Data finale: [X]      Sede: Affiliazione IBB     
    
[Pulisci modulo]


Dissociative electron transfer in donor - Peptide - Acceptor systems: Results for kinetic parameters from a density functional/polarizable continuum model (87 visite)

Barone V, Newton MD, Improta R

J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jun 29; 110(25): 12632-12639.



Tipo di articolo: Journal Article,

Impact factor: 4.115, Impact factor a 5 anni: 3.527

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-33845431651&partnerID=40&md5=0e8252a1a2a83a9eb58551bcec05fb93

Parole chiave: Charge Transfer, Continuum Mechanics, Dissociation, Electrons, Parameter Estimation, Probability Density Function, Reaction Kinetics, Solvents, Acceptor Systems, Electronic States, Intramolecular Dissociative Electron Transfer, Peptide Chains, Proteins, Flow, Heavy Ions, Nuclear Modification Factor, Qgp, Strangeness,

Affiliazioni:

*** IBB - CNR ***
Dipartimento di Chimica, Università Federico II, Complesso Monte S. Angela, via Cintia, 1-80126 Napoli, Italy
Brookhaven National Laboratory, Upton, NY 11973-5000, United States
Istituto di Biostrutture e Bioimmagini, CNR, via Mezzocannone 16, 80134 Napoli, Italy
University of Padua, INFN, Padua, Italy
University of Birmingham, Birmingham, United Kingdom
University of Catania, INFN, Catania, Italy
Physics Department, University of Athens, Athens, Greece
Institute of Experimental Physics, Slovak Academy of Science, Ko ice, Slovakia
Dipartiemnto IA di Fisica, Universit e del Politecnico di Bari, INFN, Bari, Italy
CERN, European Laboratory for Particle Physics, Geneva, Switzerland
University La Sapienza, INFN, Rome, Italy
State University of St. Petersburg, St. Petersburg, Russian Federation
Dipartiemnto di Scienze Fisiche E. R. Caianiello dell' Universit, INFN, Salerno, Italy
H gskolen i Bergen, Bergen, Norway
Fysisk Institutt, Universitetet i Oslo, Oslo, Norway
Utrecht University, NIKHEF, Utrecht, Netherlands
IReS, ULP, Strasbourg, France
Institutt for Fysikk og Teknologi, Universitetet i Bergen, Bergen, Norway
Coll ge de France, Paris, France
Institute of Physics, Prague, Czech Republic
P. J. af rik University, Ko ice, Slovakia


Riferimenti:

(1990) Organic Electrochemistry, , Lund, H., Baizer, M. M., Eds.

Andrieux, C.P., Saveant, J.-M., Electrochemical reactions (1986) Investigations of Rates and Mechanisms of Reactions, 6 (4 E AND PART 2C), p. 305. , Bernasconi, C. F. Ed.

Wiley and Sons: New York

Turner, A.P.F., Karube, I., Wilson, G., (1987) Biosensors: Fundamentals and Applications, , Oxford University Press: New York

(1988) Molecular Electronics: Science and Technology, , Aviram, A., Ratner, M., Eds.

New York Academy of Sciences: New York

Joachim, C., Gimzewski, J.K., Aviran, A., (2000) Nature, 408, p. 541

Fox, M.A., (1999) Acc. Chem. Res., 32, p. 201

Marcus, R.A., Sutin, N., (1985) Biochim. Biophys. Acta, 811, p. 265

Regan, J.J., Onuchic, J.N., (1999) Electron Transfer: From Isolated Molecules to Biomolecules, (2 PART), p. 497. , Jortner, J., Bixon, M., Eds.

Isied, S.S., Ogawa, M.Y., Wishart, J.F., (1992) Chem. Rev., 92, p. 381

Mishra, A.K., Chandrasekhar, R., Faraggi, M., Klapper, M.H., (1994) J. Am. Chem. Soc., 116, p. 1414

Tamiaki, H., Nomura, K., Maruyama, K., (1994) Bull. Chem. Soc. Jpn., 67, p. 1863

Bobrowski, K., Holcman, J., Poznanski, J., Wierzchowski, K.L., (1997) Biophys. Chem., 63, p. 153

Galka, M.M., Kraatz, H.-B., (2002) ChemPhysChem, 3, p. 356

Antonello, S., Formaggio, F., Moretto, A., Toniolo, C., Maran, F., (2003) J. Am. Chem. Soc., 125, p. 2874

Improta, R., Antonello, S., Forrqaggio, F., Maran, F., Rega, N., Barone, V., (2005) J. Phys. Chem. B, 109, p. 1023

Burns, C.S., Rochelle, L., Forbes, M.D., (2001) Org. Lett., 3, p. 2197

Sasaki, H., Makino, M., Sisido, M., Smith, T.A., Ghiggino, K.P., (2001) J. Phys. Chem. B, 105, p. 10407

Kise Jr., K.J., Bowler, B.E., (2003) Inorg. Chem., 42, p. 3891

Morita, T., Kimura, S., (2003) J. Am. Chem. Soc., 125, p. 8732

Maran, F., Wayner, D.D.M., Workentin, M.S., (2001) Adv. Phys. Org. Chem., 36, p. 85

Antonello, S., Musumeci, M., Wayner, D.D.M., Maran, F., (1997) J. Am. Chem. Soc., 119, p. 9541

Antonello, S., Maran, F., (1999) J. Am. Chem. Soc., 121, p. 9668

Newton, M.D., (2003) Coord. Chem. Rev., 238, p. 167

Burghardt, I., Laage, D., Hynes, J.T., (2003) J. Phys. Chem. A, 107, p. 11292

Laage, D., Burghardt, I., Sommerfield, T., Hynes, J.T., (2003) ChemPhysChem, 4, p. 61

Costentin, C., Robert, M., Saveant, J.-M., (2004) J. Am. Chem. Soc., 126, p. 16834

Leontyev, I.V., Basilevsky, M.V., Newton, M.D., (2004) Theor. Chem. Acc., 111, p. 110

Prytkova, T.R., Kurnikov, I.V., Beraten, D.N., (2005) J. Phys. Chem. B, 109, p. 1618

Saveant, J.-M., (1987) J. Am. Chem. Soc., 109, p. 6788

Antonello, S., Crisma, M., Formaggio, F., Moretto, A., Taddei, F., Toniolo, C., Maran, F., (2002) J. Am. Chem. Soc., 124, p. 11503

German, E.D., Kutznetov, A.M., (1994) J. Phys. Chem., 98, p. 6120

Improta, R., Barone, V., Newton, M.D., ChemPliysChem, , in press

Marcus, R.A., (1956) J. Chem. Phys., 24, p. 4966

Hush, N.S., (1958) J. Chem. Phys., 28, p. 962

Marcus, R.A., (1982) Faraday Discuss. Chem. Soc., 74, p. 7

Saveant, J.-M., Single electron transfer and nucleophilic substitution (2000) Advances in Physical Organic Chemistry, 35, p. 117. , Tidwell, T. T., Ed.

Academic Press: New York

Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Montgomery Jr., J.A., Pople, J.A., (2005) Gaussian 03 Development Version', Revision D.02, , Gaussian Inc.: Pittsburgh, PA

Adamo, C., Cossi, M., Barone, V., (1999) J. Mol. Struct. (THEOCHEM), 493, p. 145

Frisch, M.J., Pople, J.A., Binkley, J.S., (1984) J. Chem. Phys., 80, p. 3265

Adamo, C., Scuseria, G.E., Barone, V., (1999) J. Chem. Phys., 111, p. 2889

Improta, R., Santoro, F., Dietl, C., Papastathopoulos, E., Gerber, G., (2004) Chem. Phys. Lett., 387, p. 509

Aquilante, F., Barone, V., Roos, B.O., (2003) J. Chem. Phys., 119, p. 12323

Gawronski, J., Kazmierczak, F., Gawronska, K., Rychlewska, U., Norden, B., Holmen, A., (1998) J. Am. Chem. Soc., 120, p. 12083

Cossi, M., Scalmani, G., Rega, N., Barone, V., (2002) J. Chem. Phys., 117, p. 43

Miertus, S., Scrocco, E., Tomasi, J., (1981) Chem. Phys., 55, p. 117

Cave, R.J., Newton, M.D., (1996) Chem. Phys. Lett., 249, p. 15

Donkers, R.L., Maran, F., Wayner, D.D.M., Workentin, M.S., (1999) J. Am. Chem. Soc., 121, p. 7239

Maran, F., Antonello, S., (2005), Università di Padova. Personal communicationUR - http://www.scopus.com/inward/record.url?eid=2-s2.0-33746561718&partnerID=40&md5=7a640ebb7df929af97224a0d5e2d7bc6

Andrieux, C. P., Saveant, J. -M., Electrochemical reactions (1986) Investigations of Rates and Mechanisms of Reactions, 6 (4 E AND PART 2C), p. 305. , Bernasconi, C. F. Ed.

Turner, A. P. F., Karube, I., Wilson, G., (1987) Biosensors: Fundamentals and Applications, , Oxford University Press: New York

(1988) Molecular Electronics: Science and Technology, , Aviram, A., Ratner, M., Eds.

Fox, M. A., (1999) Acc. Chem. Res., 32, p. 201

Marcus, R. A., Sutin, N., (1985) Biochim. Biophys. Acta, 811, p. 265

Regan, J. J., Onuchic, J. N., (1999) Electron Transfer: From Isolated Molecules to Biomolecules, (2 PART), p. 497. , Jortner, J., Bixon, M., Eds.

Isied, S. S., Ogawa, M. Y., Wishart, J. F., (1992) Chem. Rev., 92, p. 381

Mishra, A. K., Chandrasekhar, R., Faraggi, M., Klapper, M. H., (1994) J. Am. Chem. Soc., 116, p. 1414

Galka, M. M., Kraatz, H. -B., (2002) ChemPhysChem, 3, p. 356

Burns, C. S., Rochelle, L., Forbes, M. D., (2001) Org. Lett., 3, p. 2197

Kise Jr., K. J., Bowler, B. E., (2003) Inorg. Chem., 42, p. 3891

Newton, M. D., (2003) Coord. Chem. Rev., 238, p. 167

Leontyev, I. V., Basilevsky, M. V., Newton, M. D., (2004) Theor. Chem. Acc., 111, p. 110

Prytkova, T. R., Kurnikov, I. V., Beraten, D. N., (2005) J. Phys. Chem. B, 109, p. 1618

Saveant, J. -M., (1987) J. Am. Chem. Soc., 109, p. 6788

German, E. D., Kutznetov, A. M., (1994) J. Phys. Chem., 98, p. 6120

Marcus, R. A., (1956) J. Chem. Phys., 24, p. 4966

Hush, N. S., (1958) J. Chem. Phys., 28, p. 962

Marcus, R. A., (1982) Faraday Discuss. Chem. Soc., 74, p. 7

Saveant, J. -M., Single electron transfer and nucleophilic substitution (2000) Advances in Physical Organic Chemistry, 35, p. 117. , Tidwell, T. T., Ed.

Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Montgomery Jr., J. A., Pople, J. A., (2005) Gaussian 03 Development Version', Revision D. 02, , Gaussian Inc.: Pittsburgh, PA

Frisch, M. J., Pople, J. A., Binkley, J. S., (1984) J. Chem. Phys., 80, p. 3265

Cave, R. J., Newton, M. D., (1996) Chem. Phys. Lett., 249, p. 15

Donkers, R. L., Maran, F., Wayner, D. D. M., Workentin, M. S., (1999) J. Am. Chem. Soc., 121, p. 7239



The main structural and electronic factors playing a role in intramolecular dissociative electron transfer of a simple donor - peptide - acceptor (D - peptide - A) model have been investigated by an integrated computational protocol based on the density functional theory, its time-dependent extension, and the polarizable continuum model. Our results allow us to elucidate the electronic states involved in the process and how they are perturbed by the orientation of the donor and the acceptor with respect to the peptide chain and by the presence of the solvent. We also report a semiquantitative estimation of the rate constant governing electron transfer obtained by a direct quantum mechanical evaluation of all the terms entering the kinetic expressions based on the Marcus theory and its extensions. © 2006 American Chemical Society.
Nessun risultato.
Nessun risultato.

Ricerca avanzata▼
Contiene: [X]      Estesa     Autori: [X]  Tipo di lavoro: [X]   Data iniziale: Data finale: [X]      Sede: Affiliazione IBB     
    
[Pulisci modulo]
Vai a fine pagina   Versione per copia e incolla facile   Esporta tutto in BibTeX   Esporta tutto in EndNote


Martinez-fernandez L, Banyasz A, Markovitsi D, Improta R
* Topology Controls the Electronic Absorption and Delocalization of Electron Holes in Guanine Quadruplexes (12 visite)
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018 Oct 12; 24(57): 15185-15189.
Impact Factor: 5.476
Dettagli    Esporta in BibTeX    Esporta in EndNote

Banyasz A, Martinez-fernandez L, Improta R, Ketola TM, Balty C, Markovitsi D
* Radicals generated in alternating guanine-cytosine duplexes by direct absorption of low-energy UV radiation (10 visite)
Phys Chem Chem Phys (ISSN: 1463-9084electronic, 1463-9076linking), 2018 Aug 22; 20(33): 21381-21389.
Impact Factor: 3.454
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (53 visite)
CHEM-EUR J (ISSN: 0947-6539), 2017 Oct 26; 23(60): 15177-15188.
Impact Factor: 5.16
Dettagli    Esporta in BibTeX    Esporta in EndNote

Monti S, Cocozza S, Borrelli P, Straub S, Ladd ME, Salvatore M, Tedeschi E, Palma G
* MAVEN: An Algorithm for Multi-Parametric Automated Segmentation of Brain Veins from Gradient Echo Acquisitions (3 visite) (PDF 110 visite)
IEEE T MED IMAGING (ISSN: 0278-0062), 2017; 36(5): 1054-1065.
Impact Factor: 6.131
Dettagli    Esporta in BibTeX    Esporta in EndNote

Avitabile C, D'Andrea LD, Saviano M, Olivieri M, Cimmino A, Romanelli A
* Binding studies of antimicrobial peptides to Escherichia coli cells (99 visite)
BIOCHEM BIOPH RES CO (ISSN: 0006-291X), 2016 Sep 09; 478(1): 149-153.
Impact Factor: 2.466
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 (57 visite)
PHYS CHEM CHEM PHYS (ISSN: 1463-9076), 2016 Aug 21; 18(31): 21241-21245.
Impact Factor: 4.123
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 (136 visite)
CHEM REV (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
Impact Factor: 47.928
Dettagli    Esporta in BibTeX    Esporta in EndNote

Zhang Y, de La Harpe K, Beckstead AA, Improta R, Kohler B
* UV-Induced Proton Transfer between DNA Strands (125 visite) (PDF 110 visite)
J AM CHEM SOC (ISSN: 0002-7863), 2015 Jun 10; 137(22): 7059-7062.
Impact Factor: 13.038
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 (265 visite)
CURR MED CHEM (ISSN: 0929-8673), 2015 May 20; 22(21): 2525-2538.
Impact Factor: 3.455
Dettagli    Esporta in BibTeX    Esporta in EndNote

GrassoG, Satriano C, Milardi D
* A neglected modulator of insulin-degrading enzyme activity and conformation: The pH (155 visite)
BIOPHYS CHEM (ISSN: 0301-4622), 2015; 203-204: 33-40.
Impact Factor: 2.363
Dettagli    Esporta in BibTeX    Esporta in EndNote

Mercurio FA, Di Natale C, Pirone L, Scognamiglio PL, Marasco D, Pedone EM, Saviano M, Leone M
* Peptide Fragments of Odin-Sam1: Conformational Analysis and Interaction Studies with EphA2-Sam (154 visite)
CHEMBIOCHEM (ISSN: 1439-4227), 2015; 16(11): 1629-1636.
Impact Factor: 2.85
Dettagli    Esporta in BibTeX    Esporta in EndNote

Picone D, Donnarumma F, Ferraro G, Russo Krauss I, Fagagnini A, Gotte G, Merlino A
* Platinated oligomers of bovine pancreatic ribonuclease: Structure and stability (120 visite)
J INORG BIOCHEM (ISSN: 0162-0134), 2015; 146: 37-43.
Impact Factor: 3.205
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 (127 visite)
J PHYS CHEM LETT (ISSN: 1948-7185), 2015; 6(12): 2247-2251.
Impact Factor: 8.539
Dettagli    Esporta in BibTeX    Esporta in EndNote

Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S
* TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids (134 visite)
J PHYS CHEM A (ISSN: 1089-5639), 2015; 119(21): 5476-5489.
Impact Factor: 2.883
Dettagli    Esporta in BibTeX    Esporta in EndNote

Di Fiore A, Alterio V, Monti SM, De Simone G, D’Ambrosio K
* Thermostable carbonic anhydrases in biotechnological applications (139 visite)
INT J MOL SCI (ISSN: 1422-0067), 2015; 16(7): 15456-15480.
Impact Factor: 3.257
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 (114 visite)
P NATL ACAD SCI USA (ISSN: 0027-8424), 2014 Sep 12; 111(32): 11612-11617.
Impact Factor: 9.674
Dettagli    Esporta in BibTeX    Esporta in EndNote

Balasco N, Pirone L, Smaldone G, Di Gaetano S, Esposito L, Pedone E, Vitagliano L
* Molecular recognition of Cullin3 by KCTDs: Insights from experimental and computational investigations (119 visite)
BBA-MOL BASIS DIS (ISSN: 0925-4439), 2014 Jul; 1844(7): 1289-1298.
Impact Factor: 4.882
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 (115 visite)
CHEM-EUR J (ISSN: 0947-6539), 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 (104 visite)
J PHYS CHEM LETT (ISSN: 1948-7185), 2014 Jun 5; 5(11): 1806-1811.
Impact Factor: 7.458
Dettagli    Esporta in BibTeX    Esporta in EndNote

Russo Krauss I, Merlino A, Vergara A, Sica F
* An overview of biological macromolecule crystallization (186 visite)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2013 May 31; 14(6): 11643-11691.
Impact Factor: 2.339
Dettagli    Esporta in BibTeX    Esporta in EndNote

Diana D, Di Stasi R, De Rosa L, Isernia C, D'Andrea LD, Fattorusso R
* Structural investigation of the VEGF receptor interaction with a helical antagonist peptide (136 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2013 Apr; 19(4): 214-219.
Impact Factor: 1.862
Dettagli    Esporta in BibTeX    Esporta in EndNote

Calce E, Monfregola L, Sandomenico A, Saviano M, De Luca S
* Fluorescence study for selecting specific ligands toward HER2 receptor: An example of receptor fragment approach (120 visite)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 1768-3254electronic), 2013 Mar; 61: 116-121.
Impact Factor: 3.432
Dettagli    Esporta in BibTeX    Esporta in EndNote

Banyasz A, Gustavsson T, Onidas D, Changenet-Barret P, Markovitsi D, Improta R
* Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (98 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.
Impact Factor: 5.696
Dettagli    Esporta in BibTeX    Esporta in EndNote

Merlino A, Fuchs MR, Pica A, Balsamo A, Dworkowski FSN, Pompidor G, Mazzarella L, Vergara A
* Selective X-ray-induced NO photodissociation in haemoglobin crystals: evidence from a Raman-assisted crystallographic study (104 visite)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jan; 69: 137-140.
Impact Factor: 7.232
Dettagli    Esporta in BibTeX    Esporta in EndNote

Merlino A, Fuchs MR, Pica A, Balsamo A, Dworkowski FSN, Pompidor G, Mazzarella L, Vergara A
* Selective X-Ray Induced No-Photodissociation In Hemoglobin Crystals: Evidence From A Raman Assisted-Crystallographic Study (95 visite)
Acta Cryst D 69, 2013; 1: 137-140.
Impact Factor: 0
Dettagli    Esporta in BibTeX    Esporta in EndNote

Cesarelli M, Bifulco P, Romano  M, Fratini A, D'Addio G, Clemente F
* Spline interpolation to evaluate foveation parameters in Congenital Nystagmus recordings (61 visite)
2013 E Health And Bioengineering Conference, 2013; N/D: N/D-N/D.
Impact Factor: 0
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 (126 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 (116 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 (128 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 (135 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

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 (86 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 (80 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

Malgieri G, Zaccaro L, Leone M, Bucci E, Esposito S, Baglivo I, Del Gatto A, Russo L, Scandurra R, Pedone PV, Fattorusso R, Isernia C
* Zinc to Cadmium Replacement in the A. thaliana SUPERMAN Cys(2)His(2) Zinc Finger Induces Structural Rearrangements of Typical DNA Base Determinant Positions (120 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2011 Nov; 95(11): 801-810.
Impact Factor: 2.87
Dettagli    Esporta in BibTeX    Esporta in EndNote

Nardelli A, Castaldi E, Ortosecco G, Speranza A, Storto G, Pace L, Salvatore M
* Enhancement of reaction conditions for the radiolabelling of DOTA-peptides with high activities of yttrium-90 (162 visite)
Applied Radiation And Isotopes (ISSN: 1872-9800, 0969-8043, 0969-8043linking), 2011 Jan; 69(1): 52-55.
Impact Factor: 1.172
Dettagli    Esporta in BibTeX    Esporta in EndNote

Merlino A, Vergara A, Sica F, Aschi M, Amadei A, Di Nola A, Mazzarella L
* Free-Energy Profile for CO Binding to Separated Chains of Human and Trematomus newnesi Hemoglobin: Insights from Molecular Dynamics Simulations and Perturbed Matrix Method (119 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 May 27; 114(20): 7002-7008.
Impact Factor: 3.603
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 (117 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

Moccia M, Musumeci D, Roviello GN, Fusco S, Valente M, Bucci EM, Sapio R, Pedonea C, Netti PA
* Preliminary studies on noncovalent hyperbranched polymers based on PNA and DNA building blocks (165 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Oct; 15(10): 647-653.
Impact Factor: 1.807
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 (103 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

Liuzzi R, Salvatore M, Cella L
* Estimation of free electron fraction value p for a parallel-plate ionization chamber in high dose per pulse IORT electron beams (121 visite)
World Congress On Medical Physics And Biomedical Engineering (ISSN: 1680-07379783642034725), 2009; 25(1): 998-1000.
Impact Factor: 0
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 (90 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

Sinibaldi F, Fiorucci L, Patriarca A, Lauceri R, Ferri T, Coletta M, Santucci R
* Insights into cytochrome c-cardiolipin interaction. Role played by ionic strength (127 visite)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2008 Jul 1; 47(26): 6928-6935.
Impact Factor: 3.379
Dettagli    Esporta in BibTeX    Esporta in EndNote

Banyasz A, Gustavsson T, Keszei E, Improta R, Markovitsi D
* Effect of amino substitution on the excited state dynamics of uracil (135 visite)
Photochem Photobiol Sci (ISSN: 1474-905x), 2008 Jul; 7(7): 765-768.
Impact Factor: 2.144
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 (104 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

Rotondo A, Rotondo E, Casella GA, Grasso G
* Tin(IV) catalyzed D-galacturonic acid anomerization (92 visite)
Dalton Trans (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2008 Feb 7; (5): 596-601.
Impact Factor: 3.58
Dettagli    Esporta in BibTeX    Esporta in EndNote

Agostini S, Bolzati C, Didonè E, Cavazza-Ceccato M, Refosco F, Aloj L, Arra C, Aurilio M, Tornesello AL, Tesauro D, Morelli G
* The (Tc(N)(PNP))2+ metal fragment labeled cholecystokinin-8 (CCK8) peptide for CCK-2 receptors imaging: In vitro and in vivo studies (149 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2007 Apr; 13(4): 211-219.
Impact Factor: 1.768
Dettagli    Esporta in BibTeX    Esporta in EndNote

Santoro F, Improta R, Lami A, Bloino J, Barone V
* Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution (94 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Feb 28; 126(8): 084509-084509.
Impact Factor: 3.044
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 (150 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

Aloj L, Aurilio M, Rinaldi V, D'Ambrosio L, Tesauro D, Peitl PK, Maina T, Mansi R, Von Guggenberg E, Joosten L, Sosabowski JK, Breeman WA, De Blois E, Koelewijn S, Melis M, Waser B, Beetschen K, Reubi JC, De Jong M
* The EEE project (111 visite)
Proc Int Cosm Ray Conf Icrc Universidad Nacional Autonoma De Mexico, 2007; 5(HEPART2): 977-980.
Impact Factor: 0
Dettagli    Esporta in BibTeX    Esporta in EndNote

Santoro F, Barone V, Gustavsson T, Improta R
* Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water (88 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

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 (109 visite)
Chemical Physics Letters (ISSN: 0009-2614), 2006 Oct 5; 429(4-6): 551-557.
Impact Factor: 2.462
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 (102 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

Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (123 visite)
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.
Impact Factor: 3.247
Dettagli    Esporta in BibTeX    Esporta in EndNote

Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics (144 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.
Impact Factor: 3.166
Dettagli    Esporta in BibTeX    Esporta in EndNote

Mazzarella L, Bonomi G, Lubrano MC, Merlino A, Riccio A, Vergara A, Vitagliano L, Verde C, Di Prisco G
* Minimal structural requirements for root effect: Crystal structure of the cathodic hemoglobin isolated from the Antarctic fish Trematomus newnesi (147 visite)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Feb 1; 62(2): 316-321.
Impact Factor: 3.73
Dettagli    Esporta in BibTeX    Esporta in 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 (137 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.
Impact Factor: 7.696
Dettagli    Esporta in BibTeX    Esporta in EndNote

Bucci E, Vitagliano L, Barone R, Sorrentino S, D'Alessio G, Graziano G
* On the thermal stability of the two dimeric forms of ribonuclease (97 visite)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2005 Jul 1; 116(2): 89-95.
Impact Factor: 1.925
Dettagli    Esporta in BibTeX    Esporta in EndNote

Picone D, Di Fiore A, Ercole C, Franzese M, Sica F, Tomaselli S, Mazzarella L
* The role of the hinge loop in domain swapping - The special case of bovine seminal ribonuclease (99 visite)
J Biol Chem Journal Of Biological Chemistry (ISSN: 0021-9258, 1083-351x), 2005 Apr 8; 280(14): 13771-13778.
Impact Factor: 5.854
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) (107 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 (199 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

Clemente F, D'Avino E, Guaragno M, Menichetti A
* An on line technique to detect cardiac output variations and cardiovascular performances during abdominal aortic surgery (108 visite)
Journal Of Clinical Monitoring And Computing (ISSN: 1387-1307), 2004 Apr; 18(2): 81-87.
Impact Factor: 0.888
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 (104 visite)
Chemical Reviews (ISSN: 0009-2665), 2004 Mar; 104(3): 1231-1253.
Impact Factor: 20.233
Dettagli    Esporta in BibTeX    Esporta in EndNote

De Simone G, Mandrich L, Menchise V, Giordano V, Febbraio F, Rossi M, Pedone C, Manco G
* A substrate-induced switch in the reaction mechanism of a thermophilic esterase - Kinetic evidences and structural basis (111 visite)
J Biol Chem Journal Of Biological Chemistry (ISSN: 0021-9258, 1083-351x), 2004 Feb 20; 279(8): 6815-6823.
Impact Factor: 6.355
Dettagli    Esporta in BibTeX    Esporta in EndNote

Improta R, Barone V
* Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions (119 visite)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.
Impact Factor: 3.168
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 (127 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 (129 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

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 (128 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

Improta R, Kudin KN, Scuseria GE, Barone V
* Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions (84 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jan 9; 124(1): 113-120.
Impact Factor: 6.201
Dettagli    Esporta in BibTeX    Esporta in EndNote

Aloj L, Panico M, Caracó C, Zannetti A, Del Vecchio S, Di Nuzzo C, Arra C, Morelli G, Tesauro D, De Luca S, Pedone C, Salvatore M
* Radiolabeling approaches for cholecystokinin B receptor imaging (147 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002; 66(6): 370-380.
Impact Factor: 2.372
Dettagli    Esporta in BibTeX    Esporta in 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 (109 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2002; 106(44): 10700-10706.
Impact Factor: 2.765
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 (123 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

Vitagliano L, Adinolfi S, Sica F, Merlino A, Zagari A, Mazzarella L
A potential allosteric subsite generated by domain swapping in bovine seminal ribonuclease (105 visite)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1999 Oct 29; 293(3): 569-577.
Impact Factor: 5.501
Dettagli    Esporta in BibTeX    Esporta in EndNote

Berisio R, Lamzin VS, Sica F, Wilson KS, Zagari A, Mazzarella L
Protein titration in the crystal state (81 visite)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1999 Oct 1; 292(4): 845-854.
Impact Factor: 5.501
Dettagli    Esporta in BibTeX    Esporta in EndNote

Gallo P, Rossi F, Saviano M, Pedone C, Colonna G, Ragone R
Specific interaction between bovine cyclophilin A and synthetic analogues of cyclolinopeptide (119 visite)
Journal Of Biochemistry (ISSN: 0021-924x), 1998 Nov; 124(5): 880-885.
Impact Factor: 2.189
Dettagli    Esporta in BibTeX    Esporta in EndNote

Levchenko A, Mehta B, Spengler BA, Narkar A, Fonti R, Biedler JL, Tsuruo T, Larson SM
Measurement of P-glycoprotein expression in multidrug-resistant human neuroblastoma cell lines using self-competitive binding assay (104 visite)
Anal Biochem (ISSN: 0003-2697, 1096-0309electronic), 1996 May 1; 236(2): 338-343.
Impact Factor: 2.017
Dettagli    Esporta in BibTeX    Esporta in EndNote



74 Records (67 escludendo Abstract e Conferenze).
Impact factor totale: 367.33 (351.614 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 417.304 (401.757 escludendo Abstract e Conferenze).







    Esporta in BibTeX    Esporta in EndNote