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UV-vis spectra of p-benzoquinone anion radical in solution by a TD-DFT/PCM approach (179 visite)

Barone V, Improta R, Morelli G, Santoro F

Theor Chem Acc (ISSN: 1432-881x), 2007 Jul; 118(1): 143-148.

Tipo di articolo: Journal Article,

Impact factor: 2.537

Impact factor a 5 anni: 2.564

Parole chiave: Para-Benzoquinone, Solvent Effects, Td-Dft, Uv-Vis Spectra,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-34547363941&partnerID=40&md5=89b322b51d189dad4fb7ffcac42c9bbb

Excited electronic states of the anion radical of para-benzoquinone were studied by time dependent density functional theory (TD-DFT) including bulk solvent effects by the polarizable continuum model (PCM). The computed vertical excitation energies for the first four low-lying doublet states are in good agreement with previous post-Hartree-Fock computations. Geometry optimization of excited states and inclusion of solvent effects lead to a remarkable agreement between computed adiabatic transition energies and experimental band maxima. Together with their specific interest, the results point out the reliability of TD-DFT/PCM approach for valence excitations and the need to take geometry relaxation and solvent effects into the proper account for a meaningful comparison between computed and experimental absorption spectra. © Springer-Verlag 2007.
*** IBB - CNR ***

Dipartimento di Chimica, INSTM, Complesso Universitario di Monte S. Angelo, Via Cintia, 80126 Napoli, Italy

Istituto di Biostrutture e Bioimmagini - CNR, via Mezzocannone 16, 80134 Napoli, Italy

Istituto per i Processi Chimico-Fisici - CNR, Area della Ricerca del CNR, via Moruzzi 1, 56124 Pisa, Italy
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Pietropaolo A, Muccioli L, Zannoni C, Rizzarelli E
Chemphyschem (ISSN: 1439-7641, 1439-4235, 1439-7641electronic), 2009 Jul 13; 10(9-10): 1500-1510.
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* Three-dimensional diabatic models for the ππ* → nπ*excited-state decay of uracil derivatives in solution (74 visite)
Santoro F, Improta R, Barone V
Theor Chem Acc (ISSN: 1432-881x), 2009 Jun; 123(3-4): 273-286.
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* Effects Of High Frequency Ultrasound On Echogenicity Of Ultrasound Contrast Agents Solutions (84 visite)
Mancini M, Speranza A, Greco A, Salvatore M
Endocrinology, 2009; 35(8S): 221-221.
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* Sterochemistry And Thermodynamics Of The Inclusion Of Aliphatic And Aromatic Anionic Guests In A Tetracationic Calix [4] Arene In Acidic And Neutral Aqueous Solutions (65 visite)
Sgarlata C, Bonaccorso C, Gulino FG, Zito V, Arena G, Sciotto D
New Journal Of Chemistry, 2009; 33: 991-991.
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* 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 (76 visite)
Santoro F, Barone V, Improta R
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(42): 15232-15245.
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* The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: A PCM/TD-DFT study (71 visite)
Improta R, Ferrante C, Bozio R, Barone V
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2009; 11(22): 4664-4673.
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* The excited states of adenine and thymine nucleoside and nucleotide in aqueous solution: A comparative study by time-dependent DFT calculations (83 visite)
Improta R, Barone V
Theor Chem Acc (ISSN: 1432-881x), 2008 Jul; 120(4-6): 491-497.
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* Assessing solvent effects on the singlet excited state lifetime of uracil derivatives: A femtosecond fluorescence upconversion study in alcohols and D2O (75 visite)
Gustavsson T, Bányász A, Sarkar N, Markovitsi D, Improta R
Chem Phys (ISSN: 0301-0104), 2008 Jun 23; 350(1-3): 186-192.
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* Quantum mechanical computations and spectroscopy: From small rigid molecules in the gas phase to large flexible molecules in solution (83 visite)
Barone V, Improta R, Rega N
Acc Chem Res (ISSN: 0001-4842), 2008 May; 41(5): 605-616.
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* Atomic Resolution (1. 1 Angstrom) Structure Of The Ribosome-Inactivating Protein Pd-L4 From Phytolacca Dioica L. Leaves (101 visite)
Ruggiero A, Chambery A, Di Maro A, Parente A, Berisio R
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2008 Apr; 71(1): 8-15.
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* High-resolution, hand-held camera for sentinel-node detection (91 visite)
Scopinaro F, Tofani A, di Santo G, Di Pietro B, Lombardi A, Lo Russo M, Soluri A, Massari R, Trotta C, Amanti C
Cancer Biotherapy And Radiopharmaceuticals (ISSN: 1084-9785, 1084-4978), 2008 Feb; 23(1): 43-52.
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* High-Resolution Imaging System (HiRIS) based on H9500 PSPMT (137 visite)
Trotta C, Massari R, Trinci G, Palermo N, Boccalini S, Scopinaro F, Soluri A
Nuclear Instruments And Methods In Physics Research Section A, 2008; 593(3): 454-458.
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The Excited States Of Pi-Stacked 9-Methyl Adenine Oligomers: A Td-Dft Study In Aqueous Solution (71 visite)
Improta R
Physical Chemistry Chemical Physics, 2008; 10: 2656-2664.
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* The Prokaryotic Cys2his2 Zinc Finger Domain Adopts A Novel Fold As Revealed By The Solution Structure Of Agrobacterium Tumefaciens Ros Dna Binding Domain (81 visite)
Malgieri G, Russo L, Esposito S, Baglivo I, Zaccaro L, Pedone EM, Di Blasio B, Isernia C, Pedone PV, Fattorusso R
Proc Natl Acad Sci U S A (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007 Oct 30; 104(44): 17341-17346.
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* Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach (73 visite)
Improta R, Scalmani G, Frisch MJ, Barone V
J Chem Physj Chem Phys (ISSN: 0021-9606), 2007 Sep 21; 127(7): N/D-N/D.
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* Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1, 3-disulfonamides-Solution and crystallographic studies (90 visite)
Alterio V, De Simone G, Monti SM, Scozzafava A, Supuran CT
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2007 Sep 1; 17(15): 4201-4207.
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* An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution (88 visite)
Pietropaolo A, Raiola L, Muccioli L, Tiberio G, Zannoni C, Fattorusso R, Isernia C, La Mendola D, Pappalardo G, Rizzarelli E
Chemical Physics Letters (ISSN: 0009-2614), 2007 Jul 6; 442(1-3): 110-118.
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* High resolution small animal single photon emission computed tomography: Uptake of [99mTc]bombesin and [123I]ioflupane by rat brain (112 visite)
Scopinaro F, Massari R, Varvarigou AD, D'Alessandria C, Trotta C, Di Santo GP, Soluri A
Q J Nucl Med Mol Imaging (ISSN: 1824-4785, 1824-4478, 1824-4785linking), 2007 Jun; 51(2): 204-210.
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* Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution (71 visite)
Santoro F, Lami A, Improta R, Barone V
J Chem Physj Chem Phys (ISSN: 0021-9606), 2007 May 14; 126(18): 184102-184102.
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* Excited state properties of sizable molecules in solution: From structure to reactivity (82 visite)
Santoro F, Barone V, Benzi C, Improta R
Theor Chem Acc (ISSN: 1432-881x), 2007 May; 117(5-6): 1073-1084.
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* Solvent effects on the steady-state absorption and fluorescence spectra of uracil, thymine and 5-fluorouracil (78 visite)
Gustavsson T, Sarkar N, Banyasz A, Markovitsi D, Improta R
Photochem Photobiol (ISSN: 0031-8655), 2007 May; 83(3): 595-599.
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* Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution (77 visite)
Santoro F, Improta R, Lami A, Bloino J, Barone V
J Chem Physj Chem Phys (ISSN: 0021-9606), 2007 Feb 28; 126(8): 084509-084509.
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* Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153 (83 visite)
Improta R, Barone V, Santoro F
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2007; 46(3): 405-408.
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* Erratum: Effective Method To Compute Franck-Condon Integrals For Optical Spectra Of Large Molecules In Solution (55 visite)
Santoro F, Improta R, Lami A, Bloino J, Barone V
J Chem Physj Chem Phys (ISSN: 0021-9606), 2007; 126(16): N/D-N/D.
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* New high spatial resolution portable camera in medical imaging (84 visite) (PDF 81 visite)
Trotta C, Massari R, Palermo N, Scopinaro F, Soluri A
Nuclear Instruments And Methods In Physics Research Section A, 2007; 577(3): 604-610.
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* Radioisotope guided surgery with imaging probe, a hand-held high-resolution gamma camera (78 visite) (PDF 81 visite)
Soluri A, Trotta C, Scopinaro F, Tofani A, D'Alessandria C, Pasta V, Stella S, Massari R
Nuclear Instruments And Methods In Physics Research Section A, 2007; 583(2-3): 366-371.
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* Molecular imaging: High-resolution detectors for early diagnosis and therapy monitoring of breast cancer (101 visite)
Garibaldi F, Cisbani E, Colilli S, Cusanno F, Fratoni R, Giuliani F, Gricia M, Lucentini M, Fratoni R, Lo Meo S, Magliozzi ML, Santanvenere F, Cinti MN, Pani R, Pellegrini R, Simonetti G, Schillaci O, Del Vecchio S, Salvatore M, Majewski S, Lanza RC, De Vincentis G, Scopinaro F
Nuclear Instruments And Methods In Physics Research Section A (ISSN: 0168-9002), 2006 Dec 20; 569(2SPEC.ISS.): 286-290.
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* Solution structure of mouse Cripto CFC domain and its inactive variant Trp107Ala (88 visite)
Calvanese L, Saporito A, Marasco D, D'Auria G, Minchiotti G, Pedone C, Paolillo L, Falcigno L, Ruvo M
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2006 Nov 30; 49(24): 7054-7062.
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* High resolution crystal structure of deoxy hemoglobin from Trematomus bernacchii at different pH values: The role of histidine residues in modulating the strength of the root effect (91 visite)
Mazzarella L, Vergara A, Vitagliano L, Merlino A, Bonomi G, Scala S, Verde C, Di Prisco G
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Nov 1; 65(2): 490-498.
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* A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution (82 visite)
Improta R, Barone V, Scalmani G, Frisch MJ
J Chem Physj Chem Phys (ISSN: 0021-9606), 2006 Sep 7; 125(5): N/D-N/D.
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* A Parameter Free Quantum Mechanical Approach To The Calculation Of Electron Transfer Rates For Large Systems In Solution (68 visite)
Improta R, Barone V, Newton MD
Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-7641electronic), 2006 Jun 12; 7(6): 1211-1215.
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* Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives (125 visite)
Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.
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* A combined femtosecond fluorescence and TD-DFT study of uracil derivatives in aqueous solution (77 visite)
Gustavsson T, Lazzarotto E, Markovitsi D, Banyasz AA, Improta R, Scalmani G
Femtochemistry Vii Elsevier (ISSN: 9780-4445), 2006; N/D: 254-257.
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* A State-Specific Pcm Td-Dft Method For Equilibrium And Non-Equilibrium Excited State Calculations In Solution (108 visite)
Improta R, Barone V, Scalmani G, Frisch MJ
The Journal Of Chemical Physics (ISSN: 0897-690online, 0021-9606printed), 2006; 125(5): 54103-54103.
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* Bombesin receptors and transplanted stem cells in rat brain: High-resolution scan with 99mTc BN1 (100 visite)
Scopinaro F, Paschali E, Di Santo G, Antonellis T, Massari R, Trotta C, Gourni H, Bouziotis P, David V, Soluri A, Varvarigou AD
Nuclear Instruments And Methods In Physics Research Section A, 2006; 569(2SPEC.ISS.): 525-528.
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* High-resolution mini gamma camera for diagnosis and radio-guided surgery in diabetic foot infection (124 visite)
Scopinaro F, Capriotti G, Di Santo G, Capotondi C, Micarelli A, Massari R, Trotta C, Soluri A
Nuclear Instruments And Methods In Physics Research Section A, 2006; 569(2SPEC.ISS.): 269-272.
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* High-resolution scintigraphy and 99mTc Bombesin are able to guide Mammotome biopsy and to detect lymph node invasion (75 visite)
Di Santo G, Archimandritis S, Soluri A, Trotta C, Massari R, Parisella MG, Anastasia A, Mattei M, Monteleone F, Chiacchiararelli L, Varvarigou A, Scopinaro F
Nuclear Instruments And Methods In Physics Research Section A, 2006; 569(2SPEC.ISS.): 171-174.
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* Lysozyme mutual diffusion in solutions crowded by poly(ethylene glycol) (70 visite)
Vergara A, Capuano F, Paduano L, Sartorio R
Macromoleculesmacromolecules (ISSN: 0024-9297), 2006; 39(13): 4500-4506.
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* Pressure perturbation calorimetry of poly(ethylene) glycol solutions in water (68 visite)
Attanasio F, Rialdi G, Swierzewski R, Zielenkiewicz W
Journal Of Thermal Analysis And Calorimetry (ISSN: 1388-6150), 2006; 83(3): 637-640.
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* Small field of view, high-resolution, portable γ-camera for axillary sentinel node detection (62 visite)
Soluri A, Massari R, Trotta C, Tofani A, Di Santo G, Di Pietro B, Di Paolo ML, Roncacci A, Amanti C, Scopinaro F
Nuclear Instruments And Methods In Physics Research Section A, 2006; 569(2SPEC.ISS.): 273-276.
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* Artificial di-iron proteins: solution characterization of four helix bundles containing two distinct types of inter-helical loops (67 visite)
Maglio O, Nastri F, Calhoun JR, Lahr S, Wade H, Pavone V, Degrado WF, Lombardi A
J Biol Inorg Chem (ISSN: 0949-8257print, 0949-8257linking, 1432-1327electronic), 2005 Aug; 10(5): 539-549.
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* Determination of the concentration scaling law of the scattering coefficient of water solutions of intralipid at 832 nm by comparison between collimated detection measurements and Monte Carlo simulations (90 visite)
Autiero M, Liuzzi R, Riccio P, Roberti G
Lasers Surg Med (ISSN: 0196-8092, 0196-8092print, 0196-8092linking), 2005 Jun; 36(5): 414-422.
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* High resolution mini-gammacamera and 99mTc [HMPAO] - leukocytes for diagnosis of infection and radioguided surgery in diabetic foot (138 visite)
Soluri A, Massari R, Trotta C, Stella S, Cavaiola S, Capriotti G, Di Santo GP, Di Paolo ML, Mangano AM, Liberatore M, Micarelli A, Bruzzese A, Pasta V
Il Giornale Di Chirurgia (ISSN: 0391-9005), 2005 Jun; 26(6-7): 246-250.
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* Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies (102 visite)
De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2005 May 2; 15(9): 2315-2320.
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* Absorption and fluorescence spectra of uracil in the gas phase and in aqueous solution: A TD-DFT quantum mechanical study (155 visite)
Improta R, Barone V
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2004 Nov 10; 126(44): 14320-14321.
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* High Resolution Crystallographic Studies Of Alpha-Hemolysin-Phospholipid Complexes Define Heptamer-Lipid Head Group Interactions: Implication For Understanding Protein-Lipid Interactions (91 visite)
Galdiero S, Gouaux E
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2004 Jun; 13(6): 1503-1511.
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* Solution structure and backbone dynamics of the K18G/R82E Alicyclobacillus acidocaldarius thioredoxin mutant: A molecular analysis of its reduced thermal stability (80 visite)
Leone M, Di Lello P, Ohlenschläger O, Pedone E, Bartolucci S, Rossi M, Di Blasio B, Pedone C, Saviano M, Isernia C, Fattorusso R
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2004 May 25; 43(20): 6043-6058.
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* Nucleophilic Cyclopropane Ring Opening in Duocarmycin SA Derivatives by Methanol under Acid Conditions: A Quantum Mechanical Study in the Gas-Phase and in Solution (91 visite)
Cimino P, Improta R, Bifulco G, Riccio R, Gomez-paloma L, Barone V
J Org Chem (ISSN: 0022-3263), 2004; 69(8): 2816-2824.
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* Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site: Solution conformation of a 41-mer peptide (64 visite)
Oliva R, Falcigno L, D'Auria G, Gargiulo D, Dettin M, Pasquato A, Di Bello C, Paolillo L
Peptide Revolution, 2004; N/D: N/D-N/D.
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* Conformational behavior and magnetic properties of a nitroxide amino acid derivative in vacuo and in aqueous solution (85 visite)
D'Amore M, Improta R, Barone V
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2003; 107(32): 6264-6269.
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* Non-covalent synthesis in aqueous solution of discrete multi-porphyrin aggregates with programmable stoichiometry and sequence (83 visite)
Moschetto A, Lauceri R, Gulino FG, Sciotto D, Purrello R
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Dec 11; 124(49): 14536-14537.
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* Conformational and spectroscopic analysis of the tyrosyl radical dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model (77 visite)
Langella E, Improta R, Barone V
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Sep 25; 124(38): 11531-11540.
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* Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model (86 visite)
Langella E, Rega N, Improta R, Crescenzi O, Barone V
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2002 Apr 30; 23(6): 650-661.
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* Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution (104 visite)
Esposito L, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
J Mol Biol Journal Of Molecular Biology (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2002 Apr 26; 318(2): 463-477.
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* Recent advances in atomic resolution protein crystallography (85 visite)
Esposito L, Vitagliano L, Mazzarella L
Protein And Peptide Letters (ISSN: 0929-8665, 1875-5305), 2002 Apr; 9(2): 95-105.
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* Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution (75 visite)
Benzi C, Improta R, Scalmani G, Barone V
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2002 Feb; 23(3): 341-350.
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* Atomic resolution structures of ribonuclease A at six pH values (101 visite)
Berisio R, Sica F, Lamzin VS, Wilson KS, Zagari A, Mazzarella L
Acta Crystallogr Sect D Biol Crystallogr Acta Crystallographica Section D Biological Crystallography (ISSN: 0907-4449), 2002; 58(3): 441-450.
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* Atomic Resolution Structures Of Rnase A At Six Ph Values (75 visite)
Berisio R, Sica F, Lamzin VS, Wilson KS, Zagari A, Mazzarella L
Acta Crystallogr D Biol Crystallogr, 2002; N/D: 441-450.
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* Electrospray mass spectrometric studies of L-carnosine (β-alanyl-L-histidine) complexes with copper(II) or zinc ions in aqueous solution (101 visite)
Mineo P, Vitalini D, La Mendola D, Rizzarelli E, Scamporrino E, Vecchio G
Rapid Commun Mass Spectrom (ISSN: 0951-4198), 2002; 16(7): 722-729.
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* Synthesis and solution characterization of a porphyrin-CCK8 conjugate (91 visite)
De Luca S, Tesauro D, Di Lello P, Fattorusso R, Saviano M, Pedone C, Morelli G
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2001 Jul; 7(7): 386-394.
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* Atomic resolution structure of a mutant of the spectrin SH3 domain (77 visite)
Berisio R, Viguera A, Serrano L, Wilmanns M
Acta Crystallogr Sect D Biol Crystallogr Acta Crystallographica Section D Biological Crystallography (ISSN: 0907-4449), 2001 Feb; 57(2): 337-340.
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* Solid state and solution conformation of [Ala7]-phalloidin: A synthetic phallotoxin analogue (86 visite)
Zanotti G, Falcigno L, Saviano M, D'Auria G, Bruno BM, Campanile T, Paolillo L
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2001; 7(7): 1479-1485.
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Experimental evidence for the correlation of bond distances in peptide groups detected in ultrahigh-resolution protein structures (89 visite)
Esposito L, Vitagliano L, Zagari A, Mazzarella L
Protein Eng (ISSN: 0269-2139, 0269-2139print, 0269-2139linking), 2000 Dec; 13(12): 825-828.
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The ultrahigh resolution crystal structure of ribonuclease A containing an isoaspartyl residue: Hydration and sterochemical analysis (136 visite)
Esposito L, Vitagliano L, Sica F, Sorrentino G, Zagari A, Mazzarella L
J Mol Biol Journal Of Molecular Biology (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2000 Mar 31; 297(3): 713-732.
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Crystal Structure Of A Collagen-Like Polypeptide With Repeating Sequence Pro-Hyp-Gly At 1. 4 Ang Resolution: Implications For Collagen Hydration (93 visite)
Berisio R, Vitagliano L, Mazzarella L, Zagari A
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 8-13.
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Erratum: Solid state and solution conformation of 6-{4-[N-tert- butoxycarbonyl-N-(N'-ethyl)propanamide]imidazolyl}-6- deoxycyclomaltoheptaose: Evidence of self-inclusion of the boc group within the β-cyclodextrin cavity (European Journal of Organic Chemistry (2000) (1065-1076)) (102 visite)
Impellizzeri G, Pappalardo G, D'Alessandro F, Rizzarelli E, Saviano M, Iacovino R, Benedetti E, Pedone C
Eur J Org Chem (ISSN: 1434-193x), 2000; (12): 2345-2345.
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Solid state and solution conformation of 6-{4-[N-tert-butoxycarbonyl-N- (N'-ethyl)propanamide]imidazolyl}-6-deoxycyclomaltoheptaose: Evidence of self-inclusion of the Boc group within the β-cyclodextrin cavity (89 visite)
Impellizzeri G, Pappalardo G, D'Alessandro F, Rizzarelli E, Saviano M, Iacovino R, Benedetti E, Pedone C
(ISSN: 1434-193x), 2000; (6): 1065-1076.
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High-resolution scintimammography improves the accuracy of technetium-99m methoxyisobutylisonitrile scintimammography: Use of a new dedicated gamma camera (95 visite)
Scopinaro F, Pani R, De Vincentis G, Soluri A, Pellegrini R, Porfiri LM
Eur J Nucl Med Mol Imaging (ISSN: 0340-6997, 1619-7070, 1619-7089), 1999 Oct; 26(10): 1279-1288.
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Radioimmunoguided surgery in colorectal cancer: A 6-year experience with four different technical solutions (79 visite)
Renda A, Iovino F, Capasso L, Ricciardelli L, Tammaro V, Acampa W
Semin Surg Oncol Wiley Liss Inc (ISSN: 8756-0437), 1998 Dec; 15(4): 226-230.
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Structure of cyclic peptides: the crystal and solution conformation of cyclo(Phe-Phe-Aib-Leu-Pro) (126 visite)
Zanotti G, Saviano M, Saviano G, Tancredi T, Rossi F, Pedone C, Benedetti E
Journal Of Peptide Research (ISSN: 1397-002x), 1998 Jun; 51(6): 460-466.
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99mTc MIBI scintimammography with a high resolution single tube gamma camera: Preliminary study (85 visite)
De Vincentis G, Scopinaro F, Pani R, Pellegrini R, Soluri A, Ierardi M, Ballesio L, Weinberg IN, Pergola A
Anticancer Res (ISSN: 0250-7005, 0250-0700, 1791-7530electronic), 1997 May; 17(3B): 1627-1630.
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Experimental evidence at atomic resolution for intramolecular N- H···π (phenyl) interactions in a family of amino acid derivatives (95 visite)
Crisma M, Formaggio F, Valle G, Toniolo C, Saviano M, Iacovino R, Zaccaro L, Benedetti E
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(1): 1-6.
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Solution conformational preferences of a peptidic analogue of a natural macrolide (85 visite)
D'Andrea LD, Mazzeo M, Isernia C, Rossi F, Saviano M, Gallo P, Paolillo L, Pedone C
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(3): 349-361.
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Evaluation of brain perfusion with high resolution single photon emission tomography in the diagnosis of brain death (88 visite)
Soricelli A, Mainenti PP, Leone D, Discepolo A, Romano M, Varrone A, Servillo G, Serio S, Brunetti A, Salvatore M
Minerva Anestesiol (ISSN: 0375-9393), 1996 Jun; 62(6): 209-212.
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A Platinum(II) Diamino-β-cyclodextrin Complex: A Crystallographic and Solution Study. Synthesis and Structural Characterization of a Platinum(II) Complex of 6A, 6B-Diamino-6A, 6B-dideoxycyclomaltoheptaose (90 visite)
Cucinotta V, Grasso G, Pedotti S, Rizzarelli E, Vecchio G, Di Blasio B, Isernia C, Saviano M, Pedone C
Inorg Chem (ISSN: 0020-1669, 1520-510x, 1520-510xelectronic), 1996; 35(26): 7535-7540.
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Cosolute effect on crystallization of two dinucleotide complexes of bovine seminal ribonuclease from concentrated salt solutions (83 visite)
Sica F, Adinolfi S, Vitagliano L, Zagari A, Capasso S, Mazzarella L
J Cryst Growth (ISSN: 0022-0248), 1996; 168(1-4): 192-197.
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Solution and solid state structure of an aib-containing cyclodecapeptide inhibiting the cholate uptake in hepatocytes (80 visite)
Rossi F, Saviano M, Di Talia P, Di Blasio B, Pedone C, Zanotti G, Mosca M, Saviano G, Tancredi T, Ziegler K, Benedetti E
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1996; 40(5): 465-478.
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Early changes of the arterial carotid wall in uncomplicated primary hypertensive patients: Study by ultrasound high-resolution B-mode imaging (69 visite)
Ferrara LA, Mancini M, Celentano A, Galderisi M, Iannuzzi R, Marotta T, Gaeta I
Arterioscler Thromb Vasc Biol Arteriosclerosis Thrombosis And Vascular Biology (ISSN: 1079-5642, 1049-8834), 1994 Sep; 14(8): 1290-1296.
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BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE (91 visite)
Rossi F, Saviano M, Di Blasio B, Zanotti G, Maione AM, Tancredi T, Pedone C
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Feb; 34(2): 273-284.
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Digital imaging in radiology: preliminary results obtained with a high spatial resolution 2D silicon detector (87 visite)
Alfano B, Bandettini A, Bencivelli W, Bertolucci E, Bottigli U, Conti M, Del Guerra A, Fantacci ME, Gambaccini M, Larobina M, Marziani M, Randaccio P, Rosso V, Russo P, Stefanini A
Ieee Transactions On Nuclear Science (ISSN: 0018-9499), 1993 Sep; 40(4pt1): 987-991.
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Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study (79 visite)
Saviano M, Rossi F, Pavone V, Di Blasio B, Pedone C
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 1992 Jun; 9(6): 1045-1060.
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Thermodynamic and 1H-NMR Study of Proton Complex Formation of Histidine-Containing Cyclodipeptides in Aqueous Solution (84 visite)
Arena G, Impellizzeri G, Maccarrone G, Pappalardo G, Sciotto D, Rizzarelli E
J Chem Soc, 1992; N/D: 371-376.
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Comparison of the conformations of cyclolinopeptide A in the solid state and in solution (68 visite)
Tancredi T, Zanotti G, Rossi F, Benedetti E, Pedone C, Temussi PA
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1989 Jan; 28(1): 513-523.
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Bioactive peptides: Solid-state and solution conformation of cyclolinopeptide (85 visite)
Blasio BD, Rossi F, Benedetti E, Pavone V, Pedone C, Temussi PA, Zanotti G, Tancredi T
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 1989; 111(25): 9089-9098.
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Non-Covalent Interactions in Cyclopeptide Proton Complex Formation in Aqueous Solution (73 visite)
Arena G, Impellizzeri G, Maccarrone G, Pappalardo G, Sciotto D, Rizzarelli E
Thermochim Acta, 1989; 154: 97-106.
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* An EPR and voltammetric study of simple and mixed copper(II) complexes with L- or D-glutamate and L-arginate in aqueous solution (68 visite) (PDF 64 visite)
Valora G, Bonomo RP, Tabbì G
Inorganica Chimica Acta, 2016 Lug 19; 453(2016): 62-68.
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133 Records (118 escludendo Abstract e Conferenze).
Impact factor totale: 421.998 (380.113 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 470.582 (428.319 escludendo Abstract e Conferenze).

Interrogazione bibliografica effettuata: (([btitle] "Para-Benzoquinone" OR [btitle] "Solvent Effects" OR [btitle] "Uv-Vis Spectra" OR [btitle] "benzoquinone" OR [btitle] "solution") AND NOT [id] = 9358)







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