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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 (86 visite)

Improta R, Barone V

J Mol Struct Theochem (ISSN: 0166-1280), 2009 Nov 30; 914(1-3): 87-93.

Tipo di articolo: Journal Article,

Impact factor: 1.216

Impact factor a 5 anni: 1.212


Parole chiave: Dna, Excited States, Polarizable Continuum Model, Td-Dft,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-70349750272&partnerID=40&md5=a1d858e23847dda9345bc5f05059bde7

The Vertical Excitation Energies of the two lowest energy excited electronic states of uracil and 5,fluoro-uracil have been computed in water and acetonitrile at the PCM/TD-DFT level by using four different density functionals and different PCM models. PBE0, LC-ωPBE, CAM-B3LYP, and M05-2X functionals provide similar results, and agree in predicting that a fluoro substituent stabilizes the spectroscopic state, a π → π* transition, with respect to the lowest energy dark excited state, with n → π* character. State-Specific PCM/TD-DFT calculations are confirmed to provide a more reliable estimate of solvent effect than Linear Response PCM/TD-DFT calculations. Finally, the energy difference between the excited electronic states noticeably depends on the size of the solute cavity used in the PCM calculations. © 2009 Elsevier B.V. All rights reserved.
*** IBB - CNR ***

Dipartimento di Chimica and INSTM-Village, Università Federico II, Complesso Monte S. Angelo, Via Cintia, I-80126 Napoli, Italy

Istituto Biostrutture e Bioimmagini, CNR, Via Mezzocannone 16, I-80134 Napoli, Italy

Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa, Italy
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Contiene: [X]      Estesa  

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* Pectin functionalised by fatty acids: Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopic characterisation (110 visite)
Kamnev AA, Calce E, Tarantilis PA, Tugarova AV, De Luca S
Journal Of Molecular Structure (ISSN: 0022-2860), 2015 Jan 5; 1079: 74-77.
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* Functional Binding Surface Of A Beta-Hairpin Vegf Receptor Targeting Peptide Determined By Nmr Spectroscopy In Living Cells (120 visite)
Diana D, Russomanno A, De Rosa L, Di Stasi R, Capasso D, Di Gaetano S, Romanelli A, Russo L, D'Andrea LD, Fattorusso R
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2015 Jan 2; 21(1): 91-95.
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* Simultaneous quantification of amino acids and Amadori products in foods through ion-pairing liquid chromatography-high-resolution mass spectrometry (154 visite)
Troise AD, Fiore A, Roviello GN, Monti SM, Fogliano V
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2015 Jan; 47(1): 111-124.
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* Cyclodextrin 3-functionalized with 8-hydroxyquinoline as an antioxidant inhibitor of metal-induced amyloid aggregation (79 visite)
Oliveri V, Bellia F, Vecchio G
Chempluschem (ISSN: 2192-6506), 2015; 80(4): 762-770.
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* Excited States behavior of nucleobases in solution: insights from computational studies (85 visite)
Improta R, Barone V
Topics In Current Chemistry (ISSN: 0340-1022), 2015; 355: 329-357.
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* Generation and Characterization of a Transgenic Mouse Carrying a Functional Human beta -Globin Gene with the IVSI-6 Thalassemia Mutation (63 visite)
Breveglieri G, Mancini I, Bianchi N, Lampronti I, Salvatori F, Fabbri E, Zuccato C, Cosenza LC, Montagner G, Borgatti M, Altruda F, Fagoonee S, Carandina G, Rubini M, Aiello V, Breda L, Rivella S, Gambari R, Finotti A
Biomed Res Int (ISSN: 2314-6141electronic, 2314-6133), 2015; 2015: 687635-687635.
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* Liposomal doxorubicin doubly functionalized with CCK8 and R8 peptide sequences for selective intracellular drug delivery (131 visite)
Ringhieri P, Diaferia C, Galdiero S, Palumbo R, Morelli G, Accardo A
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2015; 21(5): 415-425.
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* Membranotropic peptide-functionalized poly(lactide)- graft -poly(ethylene glycol) brush copolymers for intracellular delivery (101 visite)
Borchmann DE, Tarallo R, Avendano S, Falanga A, Carberry TP, Galdiero S, Weck M
Macromoleculesmacromolecules (ISSN: 0024-9297), 2015; 48(4): 942-949.
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* On the trade-off between processability and opto-electronic properties of single wall carbon nanotube derivatives in thin film heterojunctions (83 visite)
Salice P, Sartorio C, Burlini A, Improta R, Pignataro B, Menna E
J Mater Chem Cjournal Of Materials Chemistry C (ISSN: 2050-7534, 2050-7526), 2015; 3(2): 303-312.
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* Soluble sugar-based quinoline derivatives as new antioxidant modulators of metal-induced amyloid aggregation (134 visite)
Oliveri V, Grasso GI, Bellia F, Attanasio F, Viale M, Vecchio G
Inorg Chem (ISSN: 0020-1669, 1520-510x, 1520-510xelectronic), 2015; 54(6): 2591-2602.
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* The chemistry of carnosine derivatives (64 visite)
Bellia F, Rizzarelli E, Vecchio G
Food And Nutritional Components In Focus (ISSN: 2045-1695), 2015; 2015-January(8): 61-83.
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* Unusual Cyclodextrin Derivatives as a New Avenue to Modulate Self- and Metal-Induced Aβ Aggregation (112 visite)
Oliveri V, Bellia F, Pietropaolo A, Vecchio G
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2015; 21(40): 14047-14059.
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* Branched porphyrins as functional scaffolds for multisite bioconjugation (80 visite)
Engelen M, Lombardi A, Vitale R, Lista L, Maglio O, Pavone V, Nastri F
Biotechnol Appl Biochem (ISSN: 1470-8744electronic, 0885-4513linking), 2014 Sep 21; N/D: N/D-N/D.
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* First-principle computation of absorption and fluorescence spectra in solution accounting for vibronic structure, temperature effects and solvent inhomogenous broadening (153 visite)
Avila Ferrer FJ, Cerezo J, Soto J, Improta R, Santoro F
Comput Theor Chem Elsevier (ISSN: 2210-271x), 2014 Jul 15; 1040-1041: 328-337.
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* Multifunctional 8-hydroxyquinoline-appended cyclodextrins as new inhibitors of metal-induced protein aggregation (136 visite)
Oliveri V, Attanasio F, Puglisi A, Spencer J, Sgarlata C, Vecchio G
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jul 14; 20(29): 8954-8964.
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* Comments on Structural studies of haemoglobin from pisces species shortfin mako shark (Isurus oxyrinchus) at 1. 9 angstrom resolution by P. Ramesh et al. (2013). J. Synchrotron Rad. 20, 843-847 (85 visite)
Merlino A, Vergara A, Vitagliano L
Journal Of Synchrotron Radiation (ISSN: 0909-0495), 2014 Jul; 21: N/D-N/D.
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* Functional and structural characterization of protein disulfide oxidoreductase from Thermus thermophilus HB27 (135 visite)
Pedone E, Fiorentino G, Pirone L, Contursi P, Bartolucci S, Limauro D
Extremophilesextremophiles (ISSN: 1431-0651, 1433-4909), 2014 Jul; 18(4): 723-731.
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* Pectin functionalized with natural fatty acids as antimicrobial agent (104 visite)
Calce E, Mignogna E, Bugatti V, Galdiero M, Vittoria V, De Luca S
International Journal Of Biological Macromolecules (ISSN: 0141-8130), 2014 Jul; 68: 28-32.
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* Relative stability of the La and Lb excited states in adenine and guanine: Direct evidence from TD-DFT calculations of MCD spectra (91 visite)
Santoro F, Improta R, Fahleson T, Kauczor J, Norman P, Coriani S
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic), 2014 Jun 5; 5(11): 1806-1811.
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* Binding ability of a thymine-functionalized oligolysine towards nucleic acids (97 visite)
Roviello GN, Musumeci D, D'Alessandro C, Pedone C
Bioorg Med Chem (ISSN: 1464-3391, 0968-0896, 1464-3391electronic), 2014 Feb 1; 22(3): 997-1002.
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* Copper(II)-chelating homocarnosine glycoconjugate as a new multifunctional compound (98 visite)
Grasso GI, Arena G, Bellia F, Rizzarelli E, Vecchio G
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2014 Feb; 131: 56-63.
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* Deciphering the zinc coordination properties of the prokaryotic zinc finger domain: The solution structure characterization of Ros87 H42A functional mutant (104 visite)
Palmieri M, Russo L, Malgieri G, Esposito S, Baglivo I, Rivellino A, Farina B, de Paola I, Zaccaro L, Milardi D, Isernia C, Pedone PV, Fattorusso R
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2014 Feb; 131: 30-36.
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* Extracranial Brain Draining Veins In Mouse: Assessment By High Resolution Ultrasound And Mr Angiography Of The Neck (85 visite) (PDF 98 visite)
Mancini M, Palma G, Tedeschi E, Greco A, Ragucci M
Abstract, 2014 Feb; N/D: N/D-N/D.
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* Conformational Disorder In Phosphopeptides: Solution Studies By Cd And Nmr Techniques (97 visite)
Leone M, Mercurio FA, Vincenzi M, Accardo A, Ringhieri P, Tesauro D, Carrière F, Rossi F
Peptidomics, 2014; 1: 14-21.
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* Low resolution X-ray structure of γ-glutamyltranspeptidase from Bacillus licheniformis: Opened active site cleft and a cluster of acid residues potentially involved in the recognition of a metal ion (100 visite)
Lin L-L, Chen Y-Y, Chi M-C, Merlino A
Biochim Biophys Acta (ISSN: 1570-9639, 0006-3002, 0925-4439), 2014; 1844(9): 1523-1529.
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* REWARD ANTICIPATION IN SCHIZOPHRENIA: A FUNCTIONAL MAGNETIC RESONANCE IMAGING STUDY (103 visite)
Volpe U, Mucci A, Plescia GM, Montefusco V, Romano P, Dima D, Gallo O, Soricelli A, Bucci P, Frangou S, Prinster A, Salvatore M, Maj M, Galderisi S
European Psychiatry (ISSN: 0924-9338), 2014; 29: N/D-N/D.
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* Structural and functional studies of Stf76 from the Sulfolobus islandicus plasmid-virus pSSVx: a novel peculiar member of the winged helix-turn-helix transcription factor family (96 visite)
Contursi P, Farina B, Pirone L, Fusco S, Russo L, Bartolucci S, Fattorusso R, Pedone E
Nucleic Acids Res (ISSN: 0305-1048, 1362-4962, 1362-4962electronic), 2014; 42(9): 5993-6011.
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* Abstracts of Presentations at the International Conference on Basic and Clinical Multimodal Imaging (BaCI), a Joint Conference of the International Society for Neuroimaging in Psychiatry (ISNIP), the International Society for Functional Source Imaging (ISFSI), the International Society for Bioelectromagnetism (ISBEM), the International Society for Brain Electromagnetic Topography (ISBET), and the EEG and Clinical Neuroscience Society (ECNS), in Geneva, Switzerland, September 5-8, 2013 (106 visite)
He BJ, Nolte G, Nagata K, Takano D, Yamazaki T, Fujimaki Y, Maeda T, Satoh Y, Heckers S, George MS, Lopes da Silva F, de Munck JC, Van Houdt PJ, Verdaasdonk RM, Ossenblok P, Mullinger K, Bowtell R, Bagshaw AP, Keeser D, Karch S, Segmiller F, Hantschk I, Berman A, Padberg F, Pogarell O, Scharnowski F, Karch S, Hümmer S, Keeser D, Paolini M, Kirsch V, Koller G, Rauchmann B, Kupka M, Blautzik J, Pogarell O, Razavi N, Jann K, Koenig T, Kottlow M, Hauf M, Strik W, Dierks T, Gotman J, Vulliemoz S, Lu Y, Zhang H, Yang L, Worrell G, He B, Gruber O, Piguet C, Hubl D, Homan P, Kindler J, Dierks T, Kim K, Steinhoff U, Wakai R, Koenig T, Kottlow M, Melie-García L, Mucci A, Volpe U, Prinster A, Salvatore M, Galderisi S, Linden DE, Brandeis D, Schroeder CE, Kayser C, Panzeri S, Kleinschmidt A, Ritter P, Walther S, Haueisen J, Lau S, Flemming L, Sonntag H, Maess B, Knösche TR, Lanfer B, Dannhauer M, Wolters CH, Stenroos M, Haueisen J, Wolters C, Aydin U, Lanfer B, Lew S, Lucka F, Ruthotto L, Vorwerk J, Wagner S, Ramon C
Clin Eeg Neurosci (ISSN: 1550-0594), 2013 Dec 24; N/D: N/D-N/D.
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* High-resolution, handheld camera use for occult breast lesion localization plus sentinel node biopsy (SNOLL): A single-institution experience with 186 patients (72 visite)
Lombardi A, Nigri G, Scopinaro F, Maggi S, Mattei M, Bonifacino A, Parisella M, Soluri A, Amanti C
(ISSN: 1479-666x), 2013 Nov 21; N/D: 666X-666X.
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* Determination Of Formal Redox Potentials In Aqueous Solution Of Copper(ii) Complexes With Ligands Having Nitrogen And Oxygen Donor Atoms And Comparisonwith Their Epr And Uv–vis Spectral Features (95 visite)
Tabbì G, Giuffrida A, Bonomo RP
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2013 Nov; 128: 137-145.
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* 18F-FLT PET/CT for Detection of Functional Cross-talk between MET and EGFR in Non-small Cell Lung Cancer Resistant to EGFR Inhibitors (86 visite)
Iommelli F, De Rosa V, Gargiulo S, Panico M, Monti M, Ortosecco G, Greco A, Gramanzini M, Fonti R, Brunetti A, Del Vecchio S
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2013 Oct; 40: N/D-N/D.
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* Synthesis of a thymine-functionalized nucleoamino acid for the solid phase assembly of cationic nucleopeptides (106 visite)
Roviello GN, Musumeci D, D'Alessandro C, Pedone C
Amino Acids (ISSN: 1438-2199, 0939-4451, 1438-2199electronic), 2013 Oct; 45(4): 779-784.
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* Default-mode network changes in Huntington's disease: an integrated MRI study of functional connectivity and morphometry (103 visite)
Quarantelli M, Salvatore E, Giorgio SM, Filla A, Cervo A, Russo CV, Cocozza S, Massarelli M, Brunetti A, De Michele G
Plos One (ISSN: 1932-6203, 1932-6203electronic), 2013 Sep 19; 8(8): e72159-e72159.
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* Mapping Functional Interaction Sites of Human Prune C-Terminal Domain by NMR Spectroscopy in Human Cell Lysates (121 visite)
Diana D, Smaldone G, De Antonellis P, Pirone L, Carotenuto M, Alonzi A, Di Gaetano S, Zollo M, Pedone E, Fattorusso R
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Sep 9; 19(37): 12217-12220.
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* Synthetic Strategy to Prepare DOTA-Based Bifunctional Chelating Agent Ready to Bind Biomolecular Probes (133 visite)
Calce E, Monfregola L, De Luca S
International Journal Of Peptide Research And Therapeutics (ISSN: 1573-3149, 0929-5666), 2013 Sep; 19(3): 199-202.
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* A Novel Interdomain Interface In Crystallins: Structural Characterization Of The Beta Gamma-Crystallin From Geodia Cydonium At 0. 99 Angstrom Resolution (144 visite)
Vergara A, Grassi M, Sica F, Pizzo E, D’Alessio G, Mazzarella L, Merlino A
Acta Crystallogr Sect D Biol Crystallogr Acta Crystallographica Section D Biological Crystallography (ISSN: 0907-4449), 2013 Jun; 69(6): 960-967.
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* Design, structural and functional characterization of a Temporin-1b analog active against Gram-negative bacteria (118 visite)
Avitabile C, Netti F, Orefice G, Palmieri M, Nocerino N, Malgieri G, D'Andrea LD, Capparelli R, Fattorusso R, Romanelli A
Biochim Biophys Acta (ISSN: 0304-4165, 0006-3002, 0925-4439), 2013 Jun; 1830(6): 3767-3775.
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* Interaction of Anticancer Ruthenium Compounds with Proteins: High-Resolution X-ray Structures and Raman Microscopy Studies of the Adduct between Hen Egg White Lysozyme and AziRu (103 visite)
Vergara A, D’Errico G, Montesarchio D, Mangiapia G, Paduano L, Merlino A
Inorg Chem (ISSN: 0020-1669, 1520-510x, 1520-510xelectronic), 2013 Apr 15; 52(8): 4157-4159.
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* Affinity, speciation, and molecular features of copper(II) complexes with a prion tetraoctarepeat domain in aqueous solution: insights into old and new results (111 visite)
Di Natale G, Osz K, Kállay C, Pappalardo G, Sanna D, Impellizzeri G, Sóvágó I, Rizzarelli E
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2013 Mar 11; 19(11): 3751-3761.
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* Local tumor control probability to evaluate an applicator-guided volumetric-modulated arc therapy solution as alternative of 3D brachytherapy for the treatment of the vaginal vault in patients affected by gynecological cancer (85 visite)
Pedicini P, Strigari L, Caivano R, Fiorentino A, Califano G, Nappi A, Improta G, Storto G, Cozzolino M, Chiumento C, Fusco V, Vavassori A, Benassi M, Orecchia R, Salvatore M
Journal Of Applied Clinical Medical Physics (ISSN: 1526-9914), 2013 Mar 04; 14(2): 4N/D-4N/D.
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* High-resolution positron emission tomography/computed tomography imaging of the mouse heart (168 visite)
Greco A, Fiumara G, Gargiulo S, Gramanzini M, Brunetti A, Cuocolo A
Exp Physiol Experimental Physiology (ISSN: 1469-445x, 0958-0670), 2013 Mar; 98(3): 645-651.
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* Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (83 visite)
Banyasz A, Gustavsson T, Onidas D, Changenet-Barret P, Markovitsi D, Improta R
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.
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* Steroid Treatment In Ataxia-Telangiectasia Induces Alterations Of Functional Magnetic Resonance Imaging During Prono-Supination Task (103 visite)
Quarantelli M, Giardino G, Prinster A, Aloj G, Carotenuto B, Cirillo E, Marsili A, Salvatore E, Del Giudice E, Pignata C
Eur J Paediatr Neurol (ISSN: 1532-2130, 1090-3798, 1532-2130electronic), 2013 Mar; 17(2): 135-140.
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* Responding to toxic compounds: a genomic and functional overview of Archaea (120 visite)
Bartolucci S, Contursi P, Fiorentino G, Limauro D, Pedone E
Frontiers In Bioscience (ISSN: 1093-9946, 1093-4715), 2013 Jan 1; 18: 165-189.
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* New device based on the super spatial resolution (SSR) method (136 visite)
Soluri A, Atzeni G, Ucci A, Bellone T, Cusanno F, Rodilossi G, Massari R
Nuclear Instruments And Methods In Physics Research Section A, 2013; 728: 150-156.
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* Solution conformational features and interfacial properties of an intrinsically disordered peptide coupled to alkyl chains: A new class of peptide amphiphiles (94 visite)
Accardo A, Leone M, Tesauro D, Aufiero R, Bénarouche A, Cavalier JF, Longhi S, Carriere F, Rossi F
Mol Biosyst (ISSN: 1742-206x), 2013; 9(6): 1401-1410.
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* Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (101 visite)
Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
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* Functional and pharmacological characterization of a VEGF mimetic peptide on reparative angiogenesis (146 visite)
Finetti F, Basile A, Capasso D, Di Gaetano S, Di Stasi R, Pascale M, Turco CM, Ziche M, Morbidelli L, D'Andrea LD
Biochem Pharmacol Biochemical Pharmacology (ISSN: 0006-2952, 1873-2968), 2012 Sep 1; 84(3): 303-311.
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* High-resolution structures of two complexes between thrombin and thrombin-binding aptamer shed light on the role of cations in the aptamer inhibitory activity (109 visite)
Russo Krauss I, Merlino A, Randazzo A, Novellino E, Mazzarella L, Sica F
Nucleic Acids Res (ISSN: 0305-1048, 1362-4962, 1362-4962electronic), 2012 Sep; 40(16): 8119-8128.
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* The magic spot ppGpp influences in vitro the molecular and functional properties of the elongation factor 1α from the archaeon Sulfolobus solfataricus (81 visite)
Martucci NM, Lamberti A, Vitagliano L, Cantiello P, Ruggiero I, Arcari P, Masullo M
Extremophilesextremophiles (ISSN: 1431-0651, 1433-4909), 2012 Sep; 16(5): 743-749.
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* Cation effect on the electronic excited states of guanine nanostructures studied by time-resolved fluorescence spectroscopy (98 visite)
Hua Y, Changenet-Barret P, Improta R, Vaya I, Gustavsson T, Kotlyar AB, Zikich D, Sket P, Plavec J, Markovitsi D
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.
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* Carnosine derivatives: new multifunctional drug-like molecules (131 visite)
Bellia F, Vecchio G, Rizzarelli E
Amino Acids (ISSN: 1438-2199, 0939-4451, 1438-2199electronic), 2012 Jul; 43(1): 153-163.
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* Reproducibility and accuracy of non-invasive measurement of infarct size in mice with high-resolution PET/CT (110 visite)
Greco A, Petretta MP, Larobina M, Gargiulo S, Panico M, Nekolla SG, Esposito G, Petretta M, Brunetti A, Cuocolo A
J Nucl Cardiol (ISSN: 1532-6551, 1071-3581, 1532-6551electronic), 2012 Jun; 19(3): 492-499.
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* Interactions of two O-phosphorylresveratrol derivatives with model membranes (73 visite)
Sciacca MF, Chillemi R, Sciuto S, Pappalardo M, La Rosa C, Grasso D, Milardi D
Arch Biochem Biophys (ISSN: 1096-0384, 0003-3986), 2012 May; 521(1-2): 111-116.
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* Gold nanoparticles capped by a GC-containing peptide functionalized with an RGD motif for integrin targeting (141 visite)
Scarí G, Porta F, Fascio U, Avvakumova S, Dal Santo V, De Simone M, Saviano M, Leone M, Del Gatto A, Pedone C, Zaccaro L
Bioconjugate Chemistry (ISSN: 1520-4812, 1043-1802), 2012 Mar 21; 23(3): 340-349.
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* Solution Structure of the First Sam Domain of Odin and Binding Studies with the EphA2 Receptor (91 visite)
Mercurio FA, Marasco D, Pirone L, Pedone E, Pellecchia M,  Leone M
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2012 Mar 13; 51(10): 2136-2145.
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* Functionalized gold nanoparticles for ultrasensitive DNA detection (82 visite)
Zanoli LM, D'Agata R, Spoto G
Analytical And Bioanalytical Chemistry (ISSN: 1618-2642), 2012 Feb; 402(5): 1759-1771.
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* Structural and Functional Aspects of Metal Binding Sites in Natural and Designed Metalloproteins (146 visite)
Maglio O, Nastri F, Lombardi A, Ciferri A, Perico A
Ionic Interactions In Nat And Synthetic Macromolecules John Wiley And Sons (ISSN: 9780-4705), 2012; N/D: 361-450.
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* Vibrationally resolved absorption and emission spectra of dithiophene in the gas phase and in solution by first-principle quantum mechanical calculations (80 visite)
Stendardo E, Avila FJA, Santoro F, Improta R
J Chem Theory Comput (ISSN: 1549-9618, 1549-9626electronic, 1549-9618linking), 2012; 8(11): 4483-4493.
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* Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (69 visite)
Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.
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* Clickable functionalization of liposomes with the gH625 peptide from herpes simplex virus type i for intracellular drug delivery (97 visite)
Tarallo R, Accardo A, Falanga A, Guarnieri D, Vitiello G, Netti P, D'Errico G, Morelli G, Galdiero S
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2011 Nov 4; 17(45): 12659-12668.
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* Structural and functional insights into IkappaB-alpha/HIV-1 Tat interaction (129 visite)
Vitagliano L, Fiume G, Scognamiglio PL, Doti N, Cannavo R, Puca A, Pedone C, Scala G, Quinto I, Marasco D
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2011 Sep; 93(9): 1592-1600.
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* The Interplay between ππ*/nπ* excited states in gas-phase thymine: A quantum dynamical study (69 visite)
Picconi D, Barone V, Lami A, Santoro F, Improta R
Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-7641electronic), 2011 Jul 11; 12(10): 1957-1968.
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* Noncovalent interaction-driven stereoselectivity of copper(II) complexes with cyclodextrin derivatives of L- and D-carnosine (108 visite)
Grasso GI, Bellia F, Arena G, Vecchio G, Rizzarelli E
Inorg Chem (ISSN: 1520-510x, 0020-1669, 1520-510xelectronic), 2011 Jun 6; 50(11): 4917-4924.
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* Electrochemical characterization of ordered arrays of metallo-porphyrins in aqueous solution (105 visite)
Tabbì G, Di Mauro G, Purrello R, Bonomo RP
Dalton Trans (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2011 Apr 28; 40(16): 4223-4229.
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* New glycoside derivatives of carnosine and analogs resistant to carnosinase hydrolysis: synthesis and characterization of their copper(II) complexes (112 visite)
Lanza V, Bellia F, D'Agata R, Grasso G, Rizzarelli E, Vecchio G
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2011 Feb; 105(2): 181-188.
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* Computing the inhomogeneous broadening of electronic transitions in solution: A first-principle quantum mechanical approach (80 visite)
Avila FF, Improta R, Santoro F, Barone V
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2011; 13(38): 17007-17012.
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* Super Spatial Resolution (SSR) method for scintigraphic imaging (169 visite)
Trinci G, Massari R, Scandellari M, Scopinaro F, Soluri A
Nuclear Instruments And Methods In Physics Research Section A, 2011; 626-627(1): 120-127.
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* Hereditary Fructose Intolerance: Functional Study of Two Novel ALDOB Natural Variants and Characterization of a Partial Gene Deletion (123 visite)
Esposito G, Imperato MR, Ieno L, Sorvillo R, Benigno V, Parenti G, Parini R, Vitagliano L, Zagari A, Salvatore F
Hum Mutat (ISSN: 1059-7794, 1098-1004, 1098-1004electronic), 2010 Dec; 31(12): 1294-1303.
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* Exploring the catalytic mechanism of the first dimeric Bcp: Functional, structural and docking analyses of Bcp4 from Sulfolobus solfataricus (94 visite)
Limauro D, D'Ambrosio K, Langella E, De Simone G, Galdi I, Pedone C, Pedone E, Bartolucci S
Biochimie (ISSN: 1638-6183, 0300-9084, 1638-6183electronic), 2010 Oct; 92(10): 1435-1444.
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* NMR backbone dynamics studies of human PED/PEA-15 outline protein functional sites (100 visite)
Farina B, Pirone L, Russo L, Viparelli F, Doti N, Pedone C, Pedone E, Fattorusso R
Febs J (ISSN: 1742-4658, 1742-464x, 1742-4658electronic), 2010 Oct; 277(20): 4229-4240.
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* Reproducibility of Quantitative Measurement of Infarct Size in Mice With High-Resolution PET/CT Imaging (90 visite)
Ferro A, Greco A, Gargiulo S, Larobina M, Petretta MP, Esposito G, Panico M, Nekolla SG, Brunetti A, Cuocolo A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2010 Oct; 37: N/D-N/D.
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* Structure and functional regulation of RipA, a mycobacterial enzyme essential for daughter cell separation (114 visite)
Ruggiero A, Marasco D, Squeglia F, Soldini S, Pedone E, Pedone C, Berisio R
Structurestructure (ISSN: 0969-2126, 1878-4186), 2010 Sep 8; 18(9): 1184-1190.
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* A Small Synthetic Cripto Blocking Peptide Improves Neural Induction, Dopaminergic Differentiation, and Functional Integration of Mouse Embryonic Stem Cells in a Rat Model of Parkinson's Disease (112 visite)
Lonardo E, Parish CL, Ponticelli S, Marasco D, Ribeiro D, Ruvo M, De Falco S, Arenas E, Minchiotti G
Stem Cells (ISSN: 1066-5099), 2010 Sep; 28(8): 1326-1337.
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* Solid-phase synthesis of new Trp(Nps)-containing dipeptide derivatives as TRPV1 channel blockers (69 visite)
Pérez de Vega MJ, García-López MT, Zaccaro L, Royo M, Albericio F, Fernández-Carvajal A, Ferrer-Montiel A, González-Muñiz R
Molecules (ISSN: 1420-3049), 2010 Jul 15; 15(7): 4924-4933.
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* Carbonic anhydrase inhibitors: Crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV (88 visite)
Di Fiore A, Monti SM, Innocenti A, Winum J-Y, De Simone G, Supuran CT
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2010 Jun 15; 20(12): 3601-3605.
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* Functional analysis of melanocortin-4-receptor mutants identified in severely obese subjects living in Southern Italy (96 visite)
Alfieri A, Pasanisi F, Salzano S, Esposito L, Martone D, Tafuri D, Daniele A, Contaldo F, Sacchetti L, Zagari A, Buono P
Gene (ISSN: 0378-1119), 2010 Jun 1; 457(1-2): 35-41.
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* Design, synthesis, and functional characterization of new cyclepeptides inhibitors for C-X-C chemokine receptor-4 (CXCR4) (73 visite)
Scala S, Portella L, Napolitano M, Consales C, Polimeno MN, D'Alterio C,  Palma G, Arra C, Vitale R, Amodeo P,  De Luca S, Monfrecola L, Castello G
Meetingproceedings Of The American Association For Cancer Research Annual (ISSN: 0197-016x), 2010 Apr; 51: N/D-N/D.
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* Time-Dependent and Time-Independent Approaches for the Computation of Absorption Spectra of Uracil Derivatives in Solution (79 visite)
Improta R, Lami A, Barone V SF
International Journal Of Quantum Chemistry (ISSN: 0020-7608), 2010 Mar 5; 110(3): 624-636.
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* Synthesis and Characterization of a Selective Alpha(v)Beta(3) Receptor Cyclic Peptide Antagonist Functionalized with a Chelating Group for Metal Labelling (81 visite)
Monfregola L, Saviano M, De Luca S
International Journal Of Peptide Research And Therapeutics (ISSN: 1573-3149, 0929-5666), 2010 Mar; 16(1): 1-5.
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* Surface immobilization of fibronectin-derived PHSRN peptide on functionalized polymer films - Effects on fibroblast spreading (152 visite)
Satriano C, Messina GM, Marino C, Aiello I, Conte E, La Mendola D, Distefano DA, D'Alessandro F, Pappalardo G, Impellizzeri G
Journal Of Colloid And Interface Science (ISSN: 1095-7103electronic, 0021-9797linking), 2010 Jan 15; 341(2): 232-239.
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* The excited electronic states of adenine-guanine stacked dimers in aqueous solution: A PCM/TD-DFT study (86 visite)
Santoro F, Barone V, Lami A, Improta R
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2010; 12(19): 4934-4948.
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* 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 (72 visite)
Improta R, Santoro F, Barone V, Lami A
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking), 2009 Dec 31; 113(52): 15346-15354.
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* Crystal And Molecular Structure Of Beta-Cyclodextrins Functionalized With The Anti-Inflammatory Drug Etodolac (127 visite)
Puglisi A, Rizzarelli E, Vecchio G, Iacovino R, Benedetti E, Pedone C, Saviano M
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1227-1235.
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* Generation And Functional Characterization Of A Bcl10-Inhibitory Peptide That Represses Nf-Kappa B Activation (104 visite)
Marasco D, Stilo R, Sandomenico A, Monti SM, Tizzano B, De Capua A, Varricchio E, Liguoro D, Zotti T, Formisano S, Ruvo M, Vito P
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2009 Sep 15; 422(3): 553-561.
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* Imaging of alpha(v)beta(3) expression by a bifunctional chimeric RGD peptide not cross-reacting with alpha(v)beta(5) (98 visite)
Zannetti A, Del Vecchio S, Iommelli F, Del Gatto A,  De Luca S, Zaccaro L, Papaccioli A, Sommella J, Panico M, Speranza A, Grieco P, Novellino E, Saviano M, Pedone C, Salvatore M
Clin Cancer Res (ISSN: 1078-0432, 1078-0432linking), 2009 Sep 15; 15(16): 5224-5233.
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* Imaging of αvβ3 expression by a bifunctional chimeric RGD peptide not cross-reacting with α vβ5 (119 visite)
Zannetti A, Del Vecchio S, Iommelli F, Del Gatto A, De Luca S, Zaccaro L, Papaccioli A, Sommella J, Panico M, Speranza A, Grieco P, Novellino E, Saviano M, Pedone C, Salvatore M
Clin Cancer Res (ISSN: 1078-0432, 1078-0432linking), 2009 Sep 15; 15(16): 5224-5233.
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* Lung disease assessment in primary ciliary dyskinesia: a comparison between chest high-field magnetic resonance imaging and high-resolution computed tomography findings (103 visite)
Montella S, Santamaria F, Salvatore M, Maglione M, Iacotucci P, De Santi MM, Mollica C
Italian Journal Of Pediatrics (ISSN: 1824-7288, 1720-8424), 2009 Sep 6; 35(1): 24-24.
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* Assessment of chest high-field magnetic resonance imaging in children and young adults with noncystic fibrosis chronic lung disease: comparison to high-resolution computed tomography and correlation with pulmonary function (89 visite)
Montella S, Santamaria F, Salvatore M, Pignata C, Maglione M, Iacotucci P, Mollica C
Invest Radiol (ISSN: 1536-0210, 0020-9996, 1536-0210electronic), 2009 Sep; 44(9): 532-538.
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* Insights into the catalytic mechanism of the Bcp family: functional and structural analysis of Bcp1 from Sulfolobus solfataricus (114 visite)
D'Ambrosio K, Limauro D, Pedone E, Galdi I, Pedone C, Bartolucci S, De Simone G
Proteins (ISSN: 1097-0134, 0887-3585, 1097-0134electronic), 2009 Sep; 76(4): 995-1006.
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* MicroPET/CT of mice bearing alpha(v)beta(3)-expressing tumors by a 18F-labeled bifunctional chimeric RGD peptide (104 visite)
Zannetti A, Iommelli F, Panico M, Del Gatto A, Zaccaro L, Saviano M, Pedone C, Salvatore M, Del Vecchio S
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2009 Sep; 36: N/D-N/D.
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* Selectively functionalized cyclodextrins and their metal complexes (101 visite)
Bellia F, La Mendola D, Pedone C, Rizzarelli E, Saviano M, Vecchio G
Chem Soc Rev (ISSN: 1460-4744, 0306-0012, 1460-4744electronic), 2009 Sep; 38(9): 2756-2781.
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* Conformational preferences of the full chicken prion protein in solution and its differences with respect to mammals (94 visite)
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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* Synthesis, structure and reactivity of amino-benzodifurane derivatives (82 visite)
Caruso U, Panunzi B, Roviello GN, Roviello GN, Tingoli M, Tuzi A
Comptes Rendus Chimie (ISSN: 1631-0748), 2009 May; 12(5): 622-634.
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* Functional and structural characterization of novel mutations and genotype-phenotype correlation in 51 phenylalanine hydroxylase deficient families from Southern Italy (87 visite)
Daniele A, Scala I, Cardillo G, Pennino C, Ungaro C, Sibilio M, Parenti G, Esposito L, Zagari A, Andria G, Salvatore F
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(7): 2048-2059.
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* Structural and functional differences between KRIT1A and KRIT1B isoforms: A framework for understanding CCM pathogenesis (81 visite)
Francalanci F, Avolio M, De Luca E, Longo DL, Menchise V, Guazzi P, Sgro F, Marino M, Goitre L, Balzac F, Trabalzini L, Retta SF
Exp Cell Res (ISSN: 0014-4827), 2009 Jan 15; 315(2): 285-303.
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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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* Spectroscopic and crystallographic characterization of a tetrameric hemoglobin oxidation reveals structural features of the functional intermediate relaxed/tense state (98 visite)
Vitagliano L, Vergara A, Bonomi G, Merlino A, Verde C, Di Prisco G, Howes BD, Smulevich G, Mazzarella L
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2008 Sep 13; 130(32): 10527-10535.
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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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* Functional and structural features of the oxyanion hole in a thermophilic esterase from Alicyclobacillus acidocaldarius (89 visite)
Mandrich L, Menchise V, Alterio V, De Simone G, Pedone C, Rossi M, Manco G
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2008 Jun; 71(4): 1721-1731.
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* Carcinine-beta-cyclodextrin derivatives as scavenger entities of (OH) radicals and SOD-like properties of their copper(II) complexes (99 visite)
Bonomo RP, D'Alessandro F, Grasso G, Impellizzeri G, Pappalardo G, Rizzarelli E, Tabbì G
Inorg Chim Acta (ISSN: 0020-1693), 2008 May 5; 361(6): 1705-1714.
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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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* Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case (92 visite)
Santoro F, Barone V, Improta R
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic, 0192-8651linking), 2008 Apr 30; 29(6): 957-964.
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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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* Preparation and use of cyclic and branched peptides and their labelled derivatives as therapeutic agents, cholecystokinin agonists or antagonists, and diagnostic agents to identify and locate tumours (97 visite)
Saviano M, De Luca S, Morelli G, Tesauro D, Pedone C
Patents Official Gazette Of The United States Patent And Trademark Office (ISSN: 0098-1133), 2008 Feb 12; N/D: N/D-N/D.
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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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* New glycosidic derivatives of histidine-containing dipeptides with antioxidant properties and resistant to carnosinase activity (94 visite)
Bellia F, Amorini AM, La Mendola D, Vecchio G, Tavazzi B, Giardina B, Di Pietro V, Lazzarino G, Rizzarelli E
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 1768-3254electronic), 2008 Feb; 43(2): 373-380.
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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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* Molecular modeling and functional characterization of the monomeric primase-polymerase domain from the Sulfolobus solfataricus plasmid pIT3 (90 visite)
Prato S, Vitale RM, Contursi P, Lipps G, Saviano M, Rossi M, Bartolucci S
Febs J (ISSN: 1742-464x), 2008; 275(17): 4389-4402.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Spectroscopic And Crystallographic Characterization Of A Tetrameric Hemoglobin Oxidation Pathway Reveals Structural Features Of A Functional Intermediate R/T State (73 visite)
Vitagliano L, Vergara A, Bonomi G, Merlino A, Verde C, Di Prisco G, Howes BD, Smulevich G, Mazzarella L
Biophys J, 2008; 94: 4031-4040.
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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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* 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.
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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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* Determination of the conformation of the human VDAC1 N-terminal peptide, a protein moiety essential for the functional properties of the pore (95 visite)
De Pinto V, Tomasello F, Messina A, Guarino F, Benz R, La Mendola D, Magrì A, Milardi D, Pappalardo G
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2007 May 7; 8(7): 744-756.
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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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* 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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* Abeta(25-35) And Its C- And/Or N-Blocked Derivatives: Copper Driven Structural Features And Neurotoxicity (130 visite)
Giuffrida ML, Grasso G, Ruvo M, Pedone C, Saporito A, Marasco D, Pignataro B, Cascio C, Copani A, Rizzarelli E
Journal Of Neuroscience Research (ISSN: 0360-4012), 2007 Feb 15; 85(3): 623-633.
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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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* Diiron-containing metalloproteins: Developing functional models (57 visite)
Maglio O, Nastri R, Torres O, Faiella V, Pavone WF, Degrado A, Lombardi M
Comptes Rendus Chimie, 2007; 10: 703-720.
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* Environmental factors differently affect human and rat IAPP: Conformational preferences and membrane interactions of IAPP17-29 peptide derivatives (129 visite)
Pappalardo G, Milardi D, Magrì A, Attanasio F, Impellizzeri G, La Rosa C, Grasso D, Rizzarelli E
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2007; 13(36): 10204-10215.
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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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* High selectivity in new chiral separations of dansyl amino acids by cyclodextrin derivatives in electrokinetic chromatography (111 visite)
Cucinotta V, Giuffrida A, Grasso G, Maccarrone G, Messina M, Vecchio G
J Chromatogr A (ISSN: 0021-9673), 2007; 1155(2): 172-179.
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* Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations (63 visite)
Santoro F, Barone V, Improta R
Proc Natl Acad Sci U S A (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007; 104(24): 9931-9936.
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* Modelling IAPP's membrane interaction: Conformational preferences and membrane activity of IAPP17-29 peptide derivatives (97 visite)
Pappalardo G, Milardi D, Magna A, Attanasio F, Impellizzeri G, La Rosa C, Grasso D, Rizzarelli E
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2007; 88(4): 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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* Characterization of a multifunctional protein disulfide oxidoreductase from Sulfolobus solfataricus (68 visite)
Pedone E, Limauro D, D'Alterio R, Rossi M, Bartolucci S
Febs Journal (ISSN: 1742-464x), 2006 Dec; 273(23): 5407-5420.
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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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* Singlet excited state dynamics of uracil and thymine derivatives: A femtosecond fluorescence upconversion study in acetonitrile (70 visite)
Gustavsson T, Sarkar N, Lazzarotto E, Markovitsi D, Improta R
Chemical Physics Letters (ISSN: 0009-2614), 2006 Oct 5; 429(4-6): 551-557.
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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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* Dissociative electron transfer in donor - Peptide - Acceptor systems: Results for kinetic parameters from a density functional/polarizable continuum model (72 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.
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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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* Insights on a new PDI-like family: Structural and functional analysis of a protein disulfide oxidoreductase from the bacterium Aquifex aeolicus (111 visite)
Pedone E, D'Ambrosio K, De Simone G, Rossi M, Pedone C, Bartolucci S
J Mol Biol Journal Of Molecular Biology (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2006 Feb 10; 356(1): 155-164.
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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 Generalized Polarizable Continuum Model For The Study Of Heterogeneous Dielectric Environments (80 visite)
Iozzi MF, Cossi M, Improta R, Rega N, Barone V
Journal Of Chemical Physics, 2006; 124: 1-9.
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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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* Conformational properties and functional role of VDAC N-terminal peptide (83 visite)
De Pinto V, Messina A, Aiello R, Tomasello F, La Mendola D, Magrì A, Milardi D, Pappalardo G
Understanding Biology Using Peptides, 2006; N/D: N/D-N/D.
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* Functional imaging of multidrug resistance in breast cancer (81 visite)
Del Vecchio S, Zannetti A, Salvatore B, Paone G, Fonti R, Salvatore M
Physica Medica (ISSN: 1120-1797), 2006; 21(SUPPL.1): 24-27.
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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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* Spectroscopic characterization of PEG-amylin derivatives (88 visite)
Impellizzeri G, La Mendola D, Magrì A, Maccarrone G, Pappalardo G, Rizzarelli E
Understanding Biology Using Peptides, 2006; N/D: N/D-N/D.
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* Coordination properties of 3-functionalized β-cyclodextrins. Thermodynamic stereoselectivity of copper(II) complexes of the A, B-diamino derivative and its exploitation in LECE (92 visite)
Cucinotta V, Giuffrida A, Maccarrone G, Messina M, Puglisi A, Rizzarelli E, Vecchio G
Dalton Trans (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2005 Sep 21; (16): 2731-2736.
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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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* The identification of reversible dysfunctional myocardium is influenced by the severity of contractile dysfunction and by the length of follow-up (77 visite)
Dellegrottaglie S, Perrone-filardi P, Pace L, Prastaro M, Corrado L, Cafiero M, Della Morte AM, Zarrilli A, Camerino R, Polimeno M, Chiarillo M
Nuclear Medicine Communications (ISSN: 0143-3636, 1473-5628), 2005 Apr; 26(4): 337-343.
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* Unraveling the structural and functional features of an aldolase A mutant involved in the hemolytic anemia and severe rhabdomyolysis reported in a child (74 visite)
Esposito G, Vitagliano L, Cevenini A, Amelio T, Zagari A, Salvatore F
Blood (ISSN: 0006-4971, 0006-6497), 2005 Jan 15; 105(2): 905-906.
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* A Contribution To The Solvation Free Energy In Isotropic And Anisotropic Polarizable Continuum Model (85 visite)
Benzi C, Cossi M, Improta R, Barone V
Journal Of Computational Chemistry, 2005; 26: 1096-1105.
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* Conformational properties and functional role of the VDAC N-terminal peptide (70 visite)
De Pinto V, Messina A, Aiello R, Tomasello F, La Mendola D, Magri A, Milardi D, Pappalardo G
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005; 80(4): N/D-N/D.
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* Spectroscopic characterization of PEG amylin derivatives (89 visite)
La Mendola D, Magrì A, Pappalardo G, Impellizzeri G, Maccarrone G, Rizzarelli E
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005; 80(4): N/D-N/D.
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* Structural Characterization Of Functionalized B-Cyclodestrins (91 visite)
Saviano M, Vitale RM, Pedone C, Iacovino R, La Mendola D, Pappalardo G, Vecchio G, Rizzarelli E
Acta Crystallogr D Biol Crystallogr, 2005; N/D: N/D-N/D.
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* Synthesis And Structural Characterisation Of Two Novel Diastereoisomeric Naproxen-Appended Beta-Cyclodextrin Derivatives (88 visite)
Impellizzeri G, D'Alessandro F, Pappalardo G, Tringali C
J Incl Phenom (ISSN: 0923-0750), 2005; 51(3-4): 173-180.
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* Relation between wall thickening on gated perfusion SPECT and functional recovery after coronary revascularization in patients with previous myocardial infarction (107 visite)
Petretta M, Storto G, Acampa W, Sansone V, Evangelista L, Spinelli L, Cuocolo A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2004 Dec; 31(12): 1599-1605.
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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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* Functional properties of the protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus - A member of a novel protein family related to protein disulfide-isomerase (86 visite)
Pedone E, Ren B, Ladenstein R, Rossi M, Bartolucci S
European Journal Of Biochemistry (ISSN: 0014-2956), 2004 Sep; 271(16): 3437-3448.
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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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* Structural and functional brain imaging findings in deficit and nondeficit schizophrenia (83 visite)
Galderisi S, Mucci A, Quarantelli M, Volpe U, Amati G, Alfano B, Maj M
International Journal Of Neuropsychopharmacology (ISSN: 1461-1457), 2004 Jun; 7: N/D-N/D.
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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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* Synthesis and characterization of a sulfated and a non-sulfated cyclic CCK8 analogue functionalized with a chelating group for metal labelling (79 visite)
De Luca S, Morelli G
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2004 May; 10(5): 265-273.
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* Coordination Features Of Difunctionalized Beta-Cyclodextrins With Carnosine: Esi-Ms And Spectroscopic Investigations On 6a, 6d-Di-(beta-Alanyl-L-Histidine)-6a, 6d-Dideoxy-Beta-Cyclodextrin And 6a, 6c-Di-(beta-Alanyl-L-Histidine)-6a, 6c-Dideoxy-Beta-Cyclodextrin And Their Copper (ii) Complexes (114 visite)
Mineo P, Vitalini D, La Mendola D, Rizzarelli E, Scamporrino E, Vecchio G
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2004 Feb; 98(2): 254-265.
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* In vitro and in vivo characterization of Indium-111 and Technetium-99m labeled CCK-8 derivatives for CCK-B receptor imaging (96 visite)
Aloj L, Panico M, Caraco C, Del Vecchio S, Arra C, Affuso A, Accardo A, Mansi R, Tesauro D, De Luca S, Pedone C, Visentin R, Mazzi U, Morelli G, Salvatore M
Cancer Biotherapy And Radiopharmaceuticals (ISSN: 1084-9785, 1084-4978), 2004 Feb; 19(1): 93-98.
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* Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions (83 visite)
Improta R, Barone V
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.
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* Computation of protein pK's values by an integrated density functional theory/Polarizable Continuum Model approach (91 visite)
Barone V, Improta R, Rega N
Theor Chem Acc (ISSN: 1432-881x), 2004; 111(2-6): 237-245.
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* Functional aspects of ribosomal architecture: Symmetry, chirality and regulation (67 visite)
Zarivach R, Bashan A, Berisio R, Harms J, Auerbach T, Schluenzen F, Bartels H, Baram D, Pyetan E, Sittner A, Amit M, Hansen HAS, Kessler M, Liebe C, Wolff A, Agmon I, Yonath A
J Phys Org Chem (ISSN: 0894-3230), 2004; 17(11): 901-912.
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* Functional Imaging Of Multidrug Resistant Phenotype By 99mtc-Mibi Scan In Patients With Multiple Myeloma (95 visite)
Fonti R, Del Vecchio S, Zannetti A, De Renzo A, Catalano L, Pace L, Rotoli B, Salvatore M
Cancer Biotherapy And Radiopharmaceuticals (ISSN: 1084-9785, 1084-4978), 2004; 19(2): 165-170.
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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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* Pvelab: Software For Correction Of Functional Images For Partial Volume Errors (143 visite)
Rask T, Dyrby T, Comerci M, Quarantelli M, Alfano B, Berkouk K, Baron J, Colchester A, Hojjat A, Knudsen GM, Paulson OB, Svarer C
Proceedings Of The 10th Meeting Of The Organisation For Human Brain Mapping, 2004; Abstract: N/D-N/D.
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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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* Subtle functional collective motions in pancreatic-like ribonucleases: From ribonuclease A to angiogenin (87 visite)
Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2003 Oct 1; 53(1): 101-110.
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Functional Mimics Of Cu, Zn-Superoxide Dismutase Enzymes, In Metal-Ligand Interactions In Nano-, Micro-, And Macro-Systems In Complex Environments (81 visite)
Bonomo RP, Impellizzeri G, La Mendola D, Maccarone G, Pappalardo G, Santoro A, Tabbì G, Vecchio G, Rizzarelli E
In Complex Environmentsmetal Ligand Interactions (ISSN: 1568-2609, 1568-8260), 2003 Jan; 116: 41-63.
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* Absolute pKa determination for carboxylic acids using density functional theory and the polarizable continuum model (112 visite)
Saracino GA, Improta R, Scalmani G, Barone V
Chemical Physics Letters (ISSN: 0009-2614), 2003; 373(3-4): 411-415.
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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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* Functional mimics of Cu, Zn-superoxide dismutase enzymes (99 visite)
Bonomo RP, Impellizzeri G, La Mendola D, Maccarone G, Pappalardo G, Santoro A, Tabbì G, Vecchio G, Rizzarelli E
In Complex Environmentsmetal Ligand Interactions (ISSN: 1568-2609, 1568-8260), 2003; 116: 41-63.
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* Ligand exchange chiral separations by cyclodextrin derivatives in capillary electrophoresis (100 visite)
Cucinotta V, Giuffrida A, Grasso G, Maccarrone G, Vecchio G
Analyst (ISSN: 0003-2654), 2003; 128(2): 134-136.
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* Water stability and cytotoxic activity relationship of a series of ferrocenium derivatives. ESR insights on the radical production during the degradation process (111 visite)
Tabbì G, Cassino C, Cavigiolio G, Colangelo D, Ghiglia A, Viano I, Osella D
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2002 Dec 19; 45(26): 5786-5796.
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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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* Structural and functional analysis of aldolase B mutants related to hereditary fructose intolerance (71 visite)
Esposito G, Vitagliano L, Santamaria R, Viola A, Zagari A, Salvatore F
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2002 Nov 6; 531(2): 152-156.
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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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* Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions (68 visite)
Improta R, Kudin KN, Scuseria GE, Barone V
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jan 9; 124(1): 113-120.
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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 Of New Carnosine Derivatives Of R-Cyclodextrin And Their Hydroxyl Radical Scavanger Ability (76 visite)
La Mendola D, Sortino S, Rizzarelli E, Vecchiog
Helvetica Chimica Acta, 2002; 85: 1633-1643.
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* SOD-like activity of copper(II) complexes of beta-cyclodextrins functionalized with carnosine (102 visite)
Vecchio G, La Mendola D, Rizzarelli E, Sortino S
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2001 Sep; 86(1): N/D-N/D.
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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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Accuracy of low dose dobutamine echocardiography to identify severely dysfunctional viable myocardium significantly varies in relation to the level of TI-201 uptake at rest (60 visite)
Perrone-Filardi P, Dellegrottaglie S, Pace L, Prastaro M, Cuocolo A, Ponticelli MP, Della Morte AM, Piscione F, Sansone V, Salvatore M, Chiariello M
Circulationcirculation (ISSN: 0009-7322), 2000 Oct 31; 102(18Supplement): N/D-N/D.
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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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Functional imaging of multidrug resistant phenotype by 99mTc-MIBI scan in patients with multiple myeloma (87 visite)
Del Vecchio S, Fonti R, Zannetti A, De Renzo A, Di Gennaro F, Catalano L, Califano C, Pace L, Rotoli B, Salvatore M
Eur J Nucl Med Mol Imaging (ISSN: 0340-6997, 1619-7070, 1619-7089), 1999 Sep; 26(9): N/D-N/D.
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Tc-99m tetrofosmin tomography and dobutamine echocardiography in predicting functional recovery after revascularization in patients with ischemic left ventricular dysfunction (55 visite)
Acampa W, Cuocolo A, Bruno A, Castellari M, Longari V, Spinelli L
Eur J Nucl Med Mol Imaging (ISSN: 0340-6997, 1619-7070, 1619-7089), 1999 Sep; 26(9): N/D-N/D.
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Quantitative rest Tc-99m tetrofosmin tomography in predicting functional recovery after revascularization: Comparison with dobutamine echocardiography (62 visite)
Cuocolo A, Acampa W, Bruno A, Castellari M, Longari V, Spinelli L
Journal Of Nuclear Medicine (ISSN: 0161-5505, 1535-5667, 1535-5667electronic), 1999 May; 40(5): N/D-N/D.
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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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A comparative study of two isoforms of laccase secreted by the 'white- rot' fungus Rigidoporus lignosus, exhibiting significant structural and functional differences (103 visite)
Bonomo RP, Boudet AM, Cozzolino R, Rizzarelli E, Santoro AM, Sterjiades R, Zappalà R
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 1998 Sep; 71(3-4): 205-211.
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New synthetic tools for peptide-tetraphenylporphyrin derivatives (73 visite)
De Luca S, Bruno G, Fattorusso R, Isernia C, Pedone C, Morelli G
International Journal Of Peptide Research And Therapeutics (ISSN: 0929-5666, 1573-3149), 1998 Jul; 5(4): 269-276.
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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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A Pulse Radiolysis Study of an Imidazolato-Bridged Asymmetric Dicopper(II) Complex: A Structural and Functional Mimic of Superoxide Dismutase (76 visite)
Tabbì G, Nauser T, Koppenol WH, Reedijk J
European Journal Of Inorganic Chemistry (ISSN: 1434-1948), 1998; (12): 1939-1943.
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L- and D-cysteine derivatives of β-cyclodextrin: Different molecular recognition properties of their copper(II) complexes for amino acids (104 visite)
Campagna T, Grasso G, Rizzarelli E, Vecchio G
Inorg Chim Acta (ISSN: 0020-1693), 1998; 275-276: 395-400.
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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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In vitro photo-activation of newly synthesized chlorin derivatives with red-light-emitting diodes (72 visite)
Colasanti A, Kisslinger A, Kusch D, Liuzzi R, Mastrocinque M, Montforts FP, Quarto M, Riccio P, Roberti G, Villani F
J Photochem Photobiol B (ISSN: 1011-1344print, 1011-1344linking), 1997 Mar; 38(1): 54-60.
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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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Functional characterization of brain tumors: An overview of the potential clinical value (127 visite) (PDF 114 visite)
Brunetti A, Alfano B, Soricelli A, Tedeschi E, Mainolfi C, Covelli EM, Aloj L, Panico M, Bazzicalupo L, Salvatore M
Nuclear Medicine And Biology (ISSN: 0969-8051, 0883-2897), 1996 Sep; 23(6): 699-715.
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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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Influence of digitalis on left ventricular functional response to exercise in congestive heart failure (71 visite)
Morisco C, Cuocolo A,  Romano M, Nappi A, Iaccarino G, Volpe M, Salvatore M, Trimarco B
Am J Cardiol (ISSN: 0002-9149), 1996 Mar 1; 77(7): 480-485.
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Synthesis And Structural Characterization Of 6i, 6ii-Diamino-6i, 6ii-Dideoxy-Cyclomaltoheptaose, A Difunctionalized Beta-Cyclodextrin (91 visite)
Di Blasio B, Galdiero S, Saviano M, Pedone C, Benedetti E, Rizzarelli E, Pedotti S, Vecchio G, Gibbons WA
Carbohydr Res, 1996 Feb 28; 282(1): 41-52.
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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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Functionalized cyclodextrins: Synthesis and structural characterization of 6-deoxy-6-{4-[N-tert-butoxycarbonyl-2-aminoethyl]-imidazolyl}-cyclomaltoheptaose (92 visite)
Di Blasio B, Galdiero S, Saviano M, De Simone G, Benedetti E, Pedone C, Gibbons WA, Deschenaux R, Rizzarelli E, Vecchio G
Supramol Chem Supramolecular Chemistry (ISSN: 1061-0278), 1996; 7(1): 47-54.
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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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Correlative morphologic and functional imaging for diagnosis, staging and follow up in AIDS: an overview (76 visite)
Brunetti A, Soricelli A, Rotondo A, Alfano B, Raman R, Celentano L, Di Chiro G, Salvatore M
Q J Nucl Med (ISSN: 1125-0135, 0392-2020, 1124-3937), 1995 Sep; 39(3): 201-211.
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Morpho-functional diagnostic imaging in the assessment of viable myocardium in patients with ischemic heart disease. Correlations between myocardial perfusion and regional function of the left ventricle (82 visite)
Cuocolo A, Pace L, Maurea S, Nappi A, Nicolai E, Imbriaco M, Sullo P, Cardei S, Salvatore M
Radiol Med (ISSN: 0033-8362, 1826-6983, 1826-6983electronic), 1995 Jun; 89(6): 870-875.
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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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Morphofunctional evaluation of the kidney in retroperitoneal fibrosis. Correlations of computerized tomography, magnetic resonance and radionuclide renography (72 visite)
Klain M, Imbriaco M, Cuocolo A, Celentano L, Maurea S, Carrillo F, Salvatore M
Radiol Med (ISSN: 0033-8362, 1826-6983, 1826-6983electronic), 1994 Jul; 88(1-2): 146-149.
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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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A new water soluble host compound possessing two different hydrophobic recognition cavities: Calix[4]arene derivative conjugated with monofunctionalized β-cyclodextrin (96 visite)
DALESSANDRO F, GULINO F, IMPELLIZZERI G, PAPPALARDO G, RIZZARELLI E, SCIOTTO D, VECCHIO G
Tetrahedron Letters (ISSN: 0040-4039), 1994 Jan 24; 35(4): 629-632.
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Morphological and functional study on intracranial vascular system - Correlation of MRI, MR angiography and SPECT-HMPAO (77 visite)
BRUNETTI A, SORICELLI A, TEDESCHI E, COVELLI E, ALOJ L, ALFANO B, CASTELLI L, MAINENTI PP, BUCCIERO A, TEDESCHI G, SALVATORE M
Neuroradiology 1994, 1994; N/D: N/D-N/D.
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New platinum(II) complexes of β-cyclodextrin diamine derivatives and their antitumor activity (87 visite)
Cucinotta V, Mangano A, Nobile G, Santoro AM, Vecchio G
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 1993 Nov 15; 52(3): 183-190.
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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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Structural and functional studies of insulin receptors in human breast cancer (87 visite)
FRITTITTA L, VIGNERI R, PAPA V, GOLDFINE I, GRASSO G, TRISCHITTA V
Breast Cancer Res Tr Kluwer Academic Publishers (ISSN: 0167-6806), 1993; 25(1): 73-82.
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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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Cyclopeptide Functionalized beta-Cyclodextrin. A New Class of Potentially Enzyme Mimicking Compound with Two Recognition Sites (81 visite)
Cucinotta V, D'Alessandro F, Impellizzeri G, Pappalardo G, Rizzarelli E, Vecchio G
Chem Commun, 1991; N/D: 293-294.
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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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296 Records (260 escludendo Abstract e Conferenze).
Impact factor totale: 1000.639 (894.489 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 1082.839 (950.884 escludendo Abstract e Conferenze).

Interrogazione bibliografica effettuata: (([btitle] "Excited States" OR [btitle] "Polarizable Continuum Model" OR [btitle] "derivatives" OR [btitle] "solution" OR [btitle] "functional") AND NOT [id] = 9056)







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