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The absorption and emission spectra in solution of oligothiophene-based push–pull biomarkers: a PCM/TD-DFT vibronic study (54 visite)

Stendardo E, Ferrer F, Santoro F, Improta R

Theoretical Chemistry Accounts, 2016 Jun; 135: 1-17.

Tipo di articolo: Journal Article,

Impact factor: 1.806

Impact factor a 5 anni: 0


Parole chiave: Optical Spectra Solution Vibrational Calculations Td-Dft,

Url: Non disponibile.

We here report a thorough quantum mechanical study of the optical properties of several N-succinimidyl-ester
and methyl-amide derivatives of bi- and terthiophene, which have shown
promising performances as biomarkers. We study in particular the
dependence of the absorption and emission spectra on the substituents
and on the nature of the embedding medium, from the gas phase to polar
solvents. Our approach is based on time-dependent density functional
theory calculations, by comparing the performances of different
functionals and, finally, using long-range-corrected CAM-B3LYP as
reference functional. Solvent effects are included by the Polarizable
Continuum Model, exploiting both its linear response and state-specific
implementations. In order to simulate the absorption spectra at room
temperature, a hybrid quantum/classical approach is adopted where the
broadening effects due to the torsional flexibility of the system are
taken into account within the classical Franck–Condon principle,
starting from a relaxed three-dimensional potential energy surface,
while the quantum vibronic contribution of the remaining degrees of
freedom is described in harmonic approximation according to a
time-dependent approach. The theoretical predictions are in good
agreement with experiments, providing interesting indications on the
accuracy of different functionals and on the main chemical-physical
effects modulating the excited state properties of these compounds.
*** IBB - CNR ***

n class="highlight" style="background-color:">Institute of Biostructure and Bioimaging - CNR, Naples, Italy.
Non disponibile.


Contiene: [X]      Estesa  

Autori: [X]   E Tipo di lavoro: [X]

E Data iniziale: Data finale: [X]   E Sede:  E    Affiliazione IBB   [Pulisci modulo]

* Adenine radicals generated in alternating AT duplexes by direct absorption of low-energy UV radiation (23 visite)
Banyasz A, Ketola T, Martinez-fernandez L, Improta R, Markovitsi D
Faraday Discuss (ISSN: 1359-6640print, 1359-6640linking), 2018 Jan 26; N/D: N/D-N/D.
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* Simple and mixed complexes of copper(II) with 8-hydroxyquinoline derivatives and amino acids: Characterization in solution and potential biological implications (36 visite) (PDF 23 visite)
Sgarlata C, Arena G, Bonomo RP, Giuffrida A, Tabbi G
J Inorg Biochem (ISSN: 1873-3344electronic, 0162-0134linking), 2017 Dec 8; 180: 89-100.
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* Structural Characterization of PEGylated Hexaphenylalanine Nanostructures Exhibiting Green Photoluminescence Emission (198 visite) (PDF 56 visite)
Diaferia C, Sibillano T, Altamura D, Roviello V, Vitagliano L, Giannini C, Morelli G, Accardo A
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2017 Oct 09; 23(56): 14039-14048.
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* Optical absorption and magnetic circular dichroism spectra of thiouracils: a quantum mechanical study in solution (25 visite)
Martinez-fernandez L, Fahleson T, Norman P, Santoro F, Coriani S, Improta R
Photochem Photobiol Sci (ISSN: 1474-9092electronic, 1474-905xlinking), 2017 Sep 13; 16(9): 1415-1423.
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* Absorption of Low-Energy UV Radiation by Human Telomere G-Quadruplexes Generates Long-Lived Guanine Radical Cations (24 visite)
Banyasz A, Martinez-fernandez L, Balty C, Perron M, Douki T, Improta R, Markovitsi D
J Am Chem Soc (ISSN: 1520-5126electronic, 0002-7863linking), 2017 Aug 2; 139(30): 10561-10568.
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* New comprehensive studies of a gold(III) Dithiocarbamate complex with proven anticancer properties: Aqueous dissolution with cyclodextrins, pharmacokinetics and upstream inhibition of the ubiquitin-proteasome pathway (57 visite)
Tomasello MF, Nardon C, Lanza V, Di Natale G, Pettenuzzo N, Salmaso S, Milardi D, Caliceti P, Pappalardo G, Fregona D
Eur J Med Chem (ISSN: 1768-3254electronic, 0223-5234linking), 2017 Jun 19; 138: 115-127.
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* Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy (38 visite)
Martinez-fernandez L, Pepino AJ, Segarra-marti J, Jovaisaite J, Vaya I, Nenov A, Markovitsi D, Gustavsson T, Banyasz A, Garavelli M, Improta R
J Am Chem Soc (ISSN: 1520-5126electronic, 0002-7863linking), 2017 Jun 14; 139(23): 7780-7791.
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* Molecular imaging of neuroinflammation in preclinical rodent models using positron emission tomography (65 visite)
Gargiulo S, Coda AR, Panico M, Gramanzini M, Moresco RM, Chalon S, Pappata S
Q J Nucl Med Mol Imaging (ISSN: 1827-1936electronic, 1824-4785linking), 2017 Mar; 61(1): 60-75.
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* Clinical Value of Perfusion Abnormalities of Brain on Technetium-99m HMPAO Single-Photon Emission Computed Tomography in Children With Sydenham Chorea (77 visite) (PDF 31 visite)
Giorgio SM, Caprio MG, Galante F, Russo G, Romano A, Vergara E, Alessio M, Cuocolo A
J Child Neurol (ISSN: 1708-8283electronic, 0883-0738linking), 2016 Dec 05; 32(3): 316-321.
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* Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models (26 visite)
Martinez-fernandez L, Pepino AJ, Segarra-marti J, Banyasz A, Garavelli M, Improta R
J Chem Theory Comput (ISSN: 1549-9626electronic, 1549-9618linking), 2016 Sep 13; 12(9): 4430-4439.
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* Vibronic approach to the calculation of the decay rate of the photoexcited charge-transfer state of Guanine-Cytosine stacked dimer in water solution (42 visite)
Cerezo J, Martinez-fernandez L, Improta R, Santoro F
Theoretical Chemistry Accounts, 2016 Sep; N/D: N/D-N/D.
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* fac-[Re(H2O)3(CO)3]+ Complexed with Histidine and Imidazole in aqueous solution: Speciation, Affinity and Binding Features (38 visite)
De Tommaso G, Celentano V, Malgieri G, Fattorusso R, Romanelli A, D'Andrea LD, Iuliano M, Isernia C
Chemistry Select, 2016 Aug; 1,Issue13: 3739-3744.
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* The anticonvulsant sulfamide JNJ-26990990 and its S, S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies (66 visite)
Di Fiore A, De Simone G, Alterio V, Riccio V, Winum JY, Carta F, Supuran CT
Org Biomol Chem (ISSN: 1477-0520linking, 1477-0539electronic), 2016 Jun 07; 14(21): 4853-4858.
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* Self-assembly of PEGylated tetra-phenylalanine derivatives: structural insights from solution and solid state studies (61 visite)
Diaferia C, Mercurio FA, Giannini C, Sibillano T, Morelli G, Leone M, Accardo A
Sci Rep (ISSN: 2045-2322electronic, 2045-2322linking), 2016 May 25; 6: 26638-26638.
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* Cisplatin encapsulation within a ferritin nanocage: A high-resolution crystallographic study (67 visite)
Pontillo N, Pane F, Messori L, Amoresano A, Merlino A
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2016; 52(22): 4136-4139.
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* Evaluation of Glucose Uptake in Normal and Cancer Cell Lines by Positron Emission Tomography (121 visite)
Maddalena F, Lettini G, Gallicchio R, Sisinni L, Simeon V, Nardelli A, Venetucci AA, Storto G, Landriscina M
Mol Imaging (ISSN: 1535-3508linking, 1536-0121electronic), 2015 Sep 1; 14: 490-498.
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* Erratum to: High-resolution color-Doppler ultrasound for the study of skin growths (83 visite)
Scotto di Santolo M, Sagnelli M, Mancini M, Scalvenzi M, Delfino M, Schonauer F, Molea G, Ayala F, Salvatore M
Archives Of Dermatological Research (ISSN: 1432-069xelectronic, 0340-3696linking), 2015 Apr 7; Epub: N/D-N/D.
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* Prognostic Role Of 18f-Fluorodeoxyglucose Positron Emission Tomography/Ct In The Postoperative Evaluation Of Differentiated Thyroid Cancer Patients (69 visite)
Pace L, Klain M, Salvatore B, Nicolai E, Zampella E, Assante R, Pellegrino T, Storto G, Fonti R, Salvatore M
Clin Nucl Med (ISSN: 0363-9762, 1536-6022, 1536-0229), 2015 Feb; 40(2): 111-115.
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* High-resolution color-Doppler ultrasound for the study of skin growths (70 visite)
Scotto di Santolo M, Sagnelli M, Mancini M, Scalvenzi M, Delfino M, Schonauer F, Molea G, Ayala F, Salvatore M
Archives Of Dermatological Research (ISSN: 0340-3696, 1432-069xelectronic, 0340-3696linking), 2015 Jan 21; Epub: N/D-N/D.
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* Simultaneous quantification of amino acids and Amadori products in foods through ion-pairing liquid chromatography-high-resolution mass spectrometry (129 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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* Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches (79 visite)
Petrone A, Cerezo J, Ferrer FJA, Donati G, Improta R, Rega N, Santoro F
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5426-5438.
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* Excited States behavior of nucleobases in solution: insights from computational studies (70 visite)
Improta R, Barone V
Topics In Current Chemistry (ISSN: 0340-1022), 2015; 355: 329-357.
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* A virulence factor encoded by a polydnavirus confers tolerance to transgenic tobacco plants against lepidopteran larvae, by impairing nutrient absorption (101 visite)
Di Lelio I, Caccia S, Coppola M, Buonanno M, Di Prisco G, Varricchio P, Franzetti E, Corrado G, Monti SM, Rao R, Casartelli M, Pennacchio F
Plos One (ISSN: 1932-6203, 1932-6203electronic), 2014 Dec 1; 9(12): N/D-N/D.
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* Quantum-classical calculation of the absorption and emission spectral shapes of oligothiophenes at low and room temperature by first-principle calculations (29 visite)
Improta R, Ferrer FJ, Stendardo E, Santoro F
Chemphyschem (ISSN: 1439-7641electronic, 1439-4235linking), 2014 Oct 20; 15(15): 3320-3333.
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* Monitoring Reversal of MET-Mediated Resistance to EGFR Tyrosine Kinase Inhibitors in Non-Small Cell Lung Cancer Using 3 '-Deoxy-3 '-[F-18]-Fluorothymidine Positron Emission Tomography (148 visite)
Iommelli F, De Rosa V, Gargiulo S, Panico M, Monti M, Greco A, Gramanzini M, Ortosecco G, Fonti R, Brunetti A, Del Vecchio S
Clin Cancer Res (ISSN: 1078-0432, 1078-0432linking), 2014 Sep 15; 20(18): 4806-4815.
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* First-principle computation of absorption and fluorescence spectra in solution accounting for vibronic structure, temperature effects and solvent inhomogenous broadening (137 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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* 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 (69 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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* Deciphering the zinc coordination properties of the prokaryotic zinc finger domain: The solution structure characterization of Ros87 H42A functional mutant (93 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 (75 visite) (PDF 83 visite)
Mancini M, Palma G, Tedeschi E, Greco A, Ragucci M
Abstract, 2014 Feb; N/D: N/D-N/D.
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Mode-specific vibrational relaxation of photoexcited guanosine 5'-monophosphate and its acid form: a femtosecond broadband mid-IR transient absorption and theoretical study (31 visite)
Zhang Y, Improta R, Kohler B
Phys Chem Chem Phys (ISSN: 1463-9084electronic, 1463-9076linking), 2014 Jan 28; 16(4): 1487-1499.
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* Conformational Disorder In Phosphopeptides: Solution Studies By Cd And Nmr Techniques (79 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 (86 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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* High-resolution, handheld camera use for occult breast lesion localization plus sentinel node biopsy (SNOLL): A single-institution experience with 186 patients (62 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 (81 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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* Reliability and Agreement of Planar and Single-Photon Emission Computed Tomography 123I-Metaiodobenzylguanidine Cardiac Imaging in Patients with Heart Failure (62 visite)
Pellegrino T, Petretta M,  De Luca S, Boemio A, Carotenuto R, Petretta MP, Paolillo S, Filardi PP, Cuocolo A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2013 Oct; 40: N/D-N/D.
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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 (124 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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* 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 (90 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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* Insights for an accurate comparison of computational data to experimental absorption and emission spectra: Beyond the vertical transition approximation (73 visite)
Avila Ferrer FJ, Cerezo J, Stendardo E, Improta R, Santoro F
J Chem Theory Comput (ISSN: 1549-9618, 1549-9626electronic), 2013 Apr; 9(4): 2072-2082.
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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 (98 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 (73 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 (150 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 (71 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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* New device based on the super spatial resolution (SSR) method (124 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 (79 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 (82 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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* High-resolution structures of two complexes between thrombin and thrombin-binding aptamer shed light on the role of cations in the aptamer inhibitory activity (96 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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* Reproducibility and accuracy of non-invasive measurement of infarct size in mice with high-resolution PET/CT (100 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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* Solution Structure of the First Sam Domain of Odin and Binding Studies with the EphA2 Receptor (75 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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* Vibrationally resolved absorption and emission spectra of dithiophene in the gas phase and in solution by first-principle quantum mechanical calculations (65 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 (57 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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* Incremental prognostic value of coronary flow reserve assessed with single-photon emission computed tomography (68 visite)
Daniele S, Nappi C, Acampa W, Storto G, Pellegrino T, Ricci F, Xhoxhi E, Porcaro F, Petretta M, Cuocolo A
J Nucl Cardiol (ISSN: 1071-3581, 1532-6551, 1532-6551electronic), 2011 Sep; 18(4): 612-619.
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* Age and disease related changes in the translocator protein (TSPO) system in the human brain: Positron emission tomography measurements with [11C]vinpocetine (121 visite)
Gulyas B, Vas A, Toth M, Takano A, Varrone A, Cselenyi Z, Schain M, Mattsson P, Halldin C
Neuroimage (ISSN: 1053-8119, 1053-8119linking), 2011 Jun 1; 56(3): 1111-1121.
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* Electrochemical characterization of ordered arrays of metallo-porphyrins in aqueous solution (95 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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* Computing the inhomogeneous broadening of electronic transitions in solution: A first-principle quantum mechanical approach (65 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 (157 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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* UV-Visible Absorption and Emission Energies in Condensed Phase by PCM/TD-DFT Methods (56 visite)
Improta R
Comput Strateg For Spectrosc (ISSN: 9780-4704), 2011; N/D: 37-75.
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* Long-Term Prognostic Value of Single-Photon Emission Computed Tomography: Added Value of Coronary Flow Reserve (64 visite)
Pellegrino T, Daniele S, Acampa W, Storto G, Petretta MP, Xhoxhi E, Gallicchio R, Nappi C, Petretta M, 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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* Reproducibility of Quantitative Measurement of Infarct Size in Mice With High-Resolution PET/CT Imaging (77 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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* Carbonic anhydrase inhibitors: Crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV (73 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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* Prognostic role of myocardial single photon emission computed tomography in the elderly (68 visite)
Perrone-Filardi P, Costanzo P, Dellegrottaglie S, Gargiulo P, Ruggiero D, Savarese G, Parente A, D'Amore C, Cuocolo A, Chiariello M
J Nucl Cardiol (ISSN: 1532-6551, 1071-3581, 1532-6551electronic), 2010 Apr; 17(2): 310-315.
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* Time-Dependent and Time-Independent Approaches for the Computation of Absorption Spectra of Uracil Derivatives in Solution (62 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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* The excited electronic states of adenine-guanine stacked dimers in aqueous solution: A PCM/TD-DFT study (72 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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* Assessment of the arterial input function for estimation of coronary flow reserve by single photon emission computed tomography: comparison of two different approaches (1767 visite)
Storto G, Soricelli A, Pellegrino T, Petretta M, Cuocolo A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7089, 1619-7070, 0340-6997), 2009 Dec; 36(12): 2034-2041.
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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 (69 visite)
Improta R, Barone V
J Mol Struct Theochem (ISSN: 0166-1280), 2009 Nov 30; 914(1-3): 87-93.
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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 (89 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 (78 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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* Comparison Between Coronary Artery Plaque Measures by Multidetector Computed Tomography and Myocardial Perfusion by Single-Photon Emission Computed Tomography in Patients With Suspected Coronary Artery Disease (55 visite)
Evangelista L, Daniele S, Acampa W, Imbriaco M, Pellegrino T, Messalli G, Xhoxhi E, Pagano C, Fiumara G, Di Giorgio E, Simeone R, Cuocolo A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2009 Sep; 36: N/D-N/D.
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* Conformational preferences of the full chicken prion protein in solution and its differences with respect to mammals (79 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 (62 visite)
Santoro F, Improta R, Barone V
Theor Chem Acc (ISSN: 1432-881x), 2009 Jun; 123(3-4): 273-286.
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* Incremental prognostic value of cardiac single-photon emission computed tomography after nitrate administration in patients with ischemic left ventricular dysfunction (84 visite)
Evangelista L, Acampa W, Petretta M, Ferro A, Ricci F, Luongo L, Daniele S, Punzo G, Cuocolo A
J Nucl Cardiol (ISSN: 1071-3581, 1532-6551, 1532-6551electronic), 2009 Feb; 16(1): 38-44.
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* Effects Of High Frequency Ultrasound On Echogenicity Of Ultrasound Contrast Agents Solutions (72 visite)
Mancini M, Speranza A, Greco A, Salvatore M
Endocrinology, 2009; 35(8S): 221-221.
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* Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations (67 visite)
Karunakaran V, Kleinermanns K, Improta R, Kovalenko SA
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.
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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 (51 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 (63 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 (56 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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* Coronary Artery Plaque Measures by Multidetector Computed Tomography - vs - Myocardial Perfusion by Single-Photon Emission Computed Tomography in Patients With Suspected Coronary Artery Disease (48 visite)
Evangelista L, Daniele S, Acampa W, Imbriaco M, Pellegrino T, Messalli G, Xhoxhi E, Pagano C, Fiumara G, Di Giorgio E, Simeone R, Cuocolo A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2008 Oct; 35: N/D-N/D.
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* Incremental Prognostic Value of Cardiac Single-photon Emission Computed Tomography After Nitrate Administration in Patients With Ischemic Left Ventricular Dysfunction (58 visite)
Ricci F, Evangelista L, Acampa W, Ferro A, Luongo L, De Falco T, De Marino M, Daniele S, Petretta MP, Punzo G, Cuocolo A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2008 Oct; 35: N/D-N/D.
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* Stress Cardiac Single-photon Emission Computed Tomographic Imaging After Coronary Artery Bypass Surgery for Risk Stratification and Estimation of Time to Cardiac Events (47 visite)
Evangelista L, Acampa W, Ricci F, Daniele S, Luongo L, De Falco T, De Marino M, Petretta MP, Nappi G, Cuocolo A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2008 Oct; 35: N/D-N/D.
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* Stress cardiac single-photon emission computed tomographic imaging late after coronary artery bypass surgery for risk stratification and estimation of time to cardiac events (69 visite)
Acampa W, Petretta M, Evangelista L, Nappi G, Luongo L, Petretta MP, Cuocolo A
J Thorac Cardiovasc Surg (ISSN: 0022-5223, 1097-685x), 2008 Jul; 136(1): 46-51.
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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 (70 visite)
Improta R, Barone V
Theor Chem Acc (ISSN: 1432-881x), 2008 Jul; 120(4-6): 491-497.
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* Assessment of coronary flow reserve using single photon emission computed tomography with technetium 99m-labeled tracers (109 visite)
Petretta M, Soricelli A, Storto G, Cuocolo A
J Nucl Cardiol (ISSN: 1532-6551, 1071-3581, 1532-6551electronic), 2008 May; 15(3): 456-465.
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* Quantum mechanical computations and spectroscopy: From small rigid molecules in the gas phase to large flexible molecules in solution (69 visite)
Barone V, Improta R, Rega N
Acc Chem Res (ISSN: 0001-4842), 2008 May; 41(5): 605-616.
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* Atomic Resolution (1. 1 Angstrom) Structure Of The Ribosome-Inactivating Protein Pd-L4 From Phytolacca Dioica L. Leaves (84 visite)
Ruggiero A, Chambery A, Di Maro A, Parente A, Berisio R
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2008 Apr; 71(1): 8-15.
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* High-resolution, hand-held camera for sentinel-node detection (81 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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* Imaging the norepinephrine transporter with positron emission tomography: Initial human studies with (S, S)-[18F]FMeNER-D2 (72 visite)
Takano A, Gulyas B, Varrone A, Karlsson P, Schou M, Airaksinen AJ, Vandenhende F, Tauscher J, Halldin C
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2008 Jan; 35(1): 153-157.
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* High-Resolution Imaging System (HiRIS) based on H9500 PSPMT (128 visite)
Trotta C, Massari R, Trinci G, Palermo N, Boccalini S, Scopinaro F, Soluri A
Nuclear Instruments And Methods In Physics Research Section A, 2008; 593(3): 454-458.
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The Excited States Of Pi-Stacked 9-Methyl Adenine Oligomers: A Td-Dft Study In Aqueous Solution (58 visite)
Improta R
Physical Chemistry Chemical Physics, 2008; 10: 2656-2664.
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* Single-Photon Emission Computed Tomography After Nitrate Administration Predicts Cardiac Events in Patients With Previous Myocardial Infarction and Left Ventricular Dysfunction (54 visite)
Acampa W, Evangelista L, Sorrentino AR, Petretta M, Luongo L, Cuocolo A
J Card Fail (ISSN: 1071-9164, 1532-8414), 2007 Nov; 13(9): 765-768.
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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 (67 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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* Comparison Between Dobutamine Echocardiography and Single-Photon Emission Computed Tomography for Interpretive Reproducibility (67 visite)
Ferro A, Pellegrino T, Spinelli L, Acampa W, Petretta M, Cuocolo A
Am J Cardiol (ISSN: 0002-9149), 2007 Oct 15; 100(8): 1239-1244.
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* Comparison of the prognostic value of baseline and nitrate single-photon emission computed tomography Imaging in patients with ischemic left ventricular dysfunction (80 visite)
Evangelista L, Acampa W, Sorrentino AR, Luongo L, Petretta M, Salvatore M, Cuocolo A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2007 Oct; 34: N/D-N/D.
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* Direct comparison between post-stress left ventricular ejection fraction by gated single-photon emission computed tomography and equilibrium Radionuclide angiography (60 visite)
Caprio MG, Acampa W, Petretta M, Accardo D, Salvatore M, Cuocolo A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2007 Oct; 34: N/D-N/D.
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* Usefulness of stress cardiac single-photon emission computed tomography imaging late after percutaneous coronary intervention for assessing cardiac events and time to such events (69 visite)
Evangelista L, Acampa W, Petretta M, Liuzzi R, Salvatore M, Cuocolo A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2007 Oct; 34: N/D-N/D.
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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 (60 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 (75 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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* Usefulness of Stress Cardiac Single-Photon Emission Computed Tomographic Imaging Late After Percutaneous Coronary Intervention for Assessing Cardiac Events and Time to Such Events (76 visite)
Acampa W, Evangelista L, Petretta M, Liuzzi R, Cuocolo A
Am J Cardiol (ISSN: 0002-9149), 2007 Sep 1; 100(3): 436-441.
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* Absorption flattening as one cause of distortion of circular dichroism spectra of Δ-RuPhen3·H2TPPS complex (94 visite)
Castiglioni E, Abbate S, Longhi G, Gangemi R, Lauceri R, Purrello R
Chirality (ISSN: 0899-0042), 2007 Sep; 19(8): 642-646.
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* Randomized comparison of consolidation radiation versus observation in bulky Hodgkin's lymphoma with post-chemotherapy negative positron emission tomography scans (99 visite)
Picardi M, De Renzo A, Pane F, Nicolai E, Pacelli R, Salvatore M, Rotoli B
Leuk Lymphoma (ISSN: 1042-8194), 2007 Sep; 48(9): 1721-1727.
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* An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution (74 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 (167 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 (100 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 (56 visite)
Santoro F, Lami A, Improta R, Barone V
J Chem Physj Chem Phys (ISSN: 0021-9606), 2007 May 14; 126(18): 184102-184102.
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* Excited state properties of sizable molecules in solution: From structure to reactivity (67 visite)
Santoro F, Barone V, Benzi C, Improta R
Theor Chem Acc (ISSN: 1432-881x), 2007 May; 117(5-6): 1073-1084.
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* Solvent effects on the steady-state absorption and fluorescence spectra of uracil, thymine and 5-fluorouracil (68 visite)
Gustavsson T, Sarkar N, Banyasz A, Markovitsi D, Improta R
Photochem Photobiol (ISSN: 0031-8655), 2007 May; 83(3): 595-599.
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* Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution (64 visite)
Santoro F, Improta R, Lami A, Bloino J, Barone V
J Chem Physj Chem Phys (ISSN: 0021-9606), 2007 Feb 28; 126(8): 084509-084509.
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* Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153 (72 visite)
Improta R, Barone V, Santoro F
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2007; 46(3): 405-408.
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* Erratum: Effective Method To Compute Franck-Condon Integrals For Optical Spectra Of Large Molecules In Solution (42 visite)
Santoro F, Improta R, Lami A, Bloino J, Barone V
J Chem Physj Chem Phys (ISSN: 0021-9606), 2007; 126(16): N/D-N/D.
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* New high spatial resolution portable camera in medical imaging (75 visite) (PDF 66 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 (66 visite) (PDF 66 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 (86 visite)
Garibaldi F, Cisbani E, Colilli S, Cusanno F, Fratoni R, Giuliani F, Gricia M, Lucentini M, Fratoni R, Lo Meo S, Magliozzi ML, Santanvenere F, Cinti MN, Pani R, Pellegrini R, Simonetti G, Schillaci O, Del Vecchio S, Salvatore M, Majewski S, Lanza RC, De Vincentis G, Scopinaro F
Nuclear Instruments And Methods In Physics Research Section A (ISSN: 0168-9002), 2006 Dec 20; 569(2SPEC.ISS.): 286-290.
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* Solution structure of mouse Cripto CFC domain and its inactive variant Trp107Ala (72 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 (77 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution (69 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Comparison of prognostic value of Tc-99m tetrofosmin single-photon emission computed tomography after nitrate administration-vs-metabolic imaging by positron emission tomography in patients with ischemic left ventricular dysfunction (56 visite)
Acampa W, Mainolfi C, Ferro A, Ricci F, Evangelista L, Petretta MP, Salvatore M, Cuocolo A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2006 Sep; 33: N/D-N/D.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* A Parameter Free Quantum Mechanical Approach To The Calculation Of Electron Transfer Rates For Large Systems In Solution (54 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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* 18F-fluorodeoxyglucose positron emission tomography/computed tomography in the evaluation of early response in a primary hepatic lymphoma (56 visite)
De Renzo A, Perna F, Persico M, Mainolfi C, Pace L
British Journal Of Haematology (ISSN: 0007-1048, 0007-1048linking), 2006 Jun; 133(6): 580-580.
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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 (113 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 (62 visite)
Gustavsson T, Lazzarotto E, Markovitsi D, Banyasz AA, Improta R, Scalmani G
Femtochemistry Vii Elsevier (ISSN: 9780-4445), 2006; N/D: 254-257.
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* A State-Specific Pcm Td-Dft Method For Equilibrium And Non-Equilibrium Excited State Calculations In Solution (95 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 (86 visite)
Scopinaro F, Paschali E, Di Santo G, Antonellis T, Massari R, Trotta C, Gourni H, Bouziotis P, David V, Soluri A, Varvarigou AD
Nuclear Instruments And Methods In Physics Research Section A, 2006; 569(2SPEC.ISS.): 525-528.
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* High-resolution mini gamma camera for diagnosis and radio-guided surgery in diabetic foot infection (112 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 (66 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) (59 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 (58 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 (53 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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* Comparison of Prognostic Value of Negative Dobutamine Stress Echocardiography vs Single Photon Emission Computed Tomography After Acute Myocardial Infarction (78 visite)
Acampa W, Spinelli L, Sorrentino AR, Capacchione D, Paone G, Petretta M, Salvatore M, Cuocolo A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2005 Sep; 32: N/D-N/D.
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* Artificial di-iron proteins: solution characterization of four helix bundles containing two distinct types of inter-helical loops (53 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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* Comparison of prognostic value of negative dobutamine stress echocardiography versus single-photon emission computed tomography after acute myocardial infarction (70 visite)
Acampa W, Spinelli L, Sorrentino AR, Capacchione D, Paone G, Petretta M, Salvatore M, Cuocolo A
Am J Cardiol (ISSN: 0002-9149), 2005 Jul 1; 96(1): 13-16.
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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 (75 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 (126 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 (87 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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* Comparision Of Prognostic Value Of Negative Dobutamine Stress Echocardiography Vesus Single-Photon Emission Computed Tomography After Acute Myocardial Infraction (61 visite)
Acampa W, Spinelli L, Petretta M, Cuocolo A, Salvatore M
American Journal Of Cardiology, 2005; 96: 13-16.
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* Absorption and fluorescence spectra of uracil in the gas phase and in aqueous solution: A TD-DFT quantum mechanical study (140 visite)
Improta R, Barone V
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2004 Nov 10; 126(44): 14320-14321.
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* High Resolution Crystallographic Studies Of Alpha-Hemolysin-Phospholipid Complexes Define Heptamer-Lipid Head Group Interactions: Implication For Understanding Protein-Lipid Interactions (78 visite)
Galdiero S, Gouaux E
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2004 Jun; 13(6): 1503-1511.
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* Solution structure and backbone dynamics of the K18G/R82E Alicyclobacillus acidocaldarius thioredoxin mutant: A molecular analysis of its reduced thermal stability (67 visite)
Leone M, Di Lello P, Ohlenschläger O, Pedone E, Bartolucci S, Rossi M, Di Blasio B, Pedone C, Saviano M, Isernia C, Fattorusso R
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2004 May 25; 43(20): 6043-6058.
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* Nucleophilic Cyclopropane Ring Opening in Duocarmycin SA Derivatives by Methanol under Acid Conditions: A Quantum Mechanical Study in the Gas-Phase and in Solution (75 visite)
Cimino P, Improta R, Bifulco G, Riccio R, Gomez-paloma L, Barone V
J Org Chem (ISSN: 0022-3263), 2004; 69(8): 2816-2824.
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* Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site: Solution conformation of a 41-mer peptide (44 visite)
Oliva R, Falcigno L, D'Auria G, Gargiulo D, Dettin M, Pasquato A, Di Bello C, Paolillo L
Peptide Revolution, 2004; N/D: N/D-N/D.
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* Conformational behavior and magnetic properties of a nitroxide amino acid derivative in vacuo and in aqueous solution (66 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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* Granulocytic sarcoma of the breast in a patient with acute myeloblastic leukemia in remission (48 visite)
Imbriaco M, Di Nuzzo L, Riccardi A, Vicenzo E, Fulciniti F, Sodano A
Eur J Radiol Extra, 2003; 47(1): 17-21.
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* Nuclear medicine and positron emission tomography imaging in cardiology (153 visite)
Cuocolo A, Acampa W, Evangelista L
Nucl Med Rev (ISSN: 1506-9680), 2003; 6(1): 59-63.
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* Non-covalent synthesis in aqueous solution of discrete multi-porphyrin aggregates with programmable stoichiometry and sequence (68 visite)
Moschetto A, Lauceri R, Gulino FG, Sciotto D, Purrello R
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Dec 11; 124(49): 14536-14537.
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* Conformational and spectroscopic analysis of the tyrosyl radical dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model (60 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 (71 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 (85 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 (70 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 (60 visite)
Benzi C, Improta R, Scalmani G, Barone V
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2002 Feb; 23(3): 341-350.
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* Atomic resolution structures of ribonuclease A at six pH values (83 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 (58 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 (87 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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* Method For Preparing Digital Image For Realizing Bimorphic Multicompartmental Phantom Used In E. G. Positron Emission Tomography, Involves Verifying Adjacency Of Voxels For Defining Connected Volume Of Tissue (147 visite)
Alfano B, Prinster A, Quarantelli M
Patent Office, 2002; N/D: N/D-N/D.
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* Synthesis and solution characterization of a porphyrin-CCK8 conjugate (71 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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* Absolute quantification by positron emission tomography of the endogenous ligand (66 visite)
Delforge J, Bottlaender M, Pappata S, Loc'h C, Syrota A
J Cereb Blood Flow Metab (ISSN: 0271-678x), 2001 May; 21(5): 613-630.
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* Atomic resolution structure of a mutant of the spectrin SH3 domain (60 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 (71 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 (70 visite)
Esposito L, Vitagliano L, Zagari A, Mazzarella L
Protein Eng (ISSN: 0269-2139, 0269-2139print, 0269-2139linking), 2000 Dec; 13(12): 825-828.
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The ultrahigh resolution crystal structure of ribonuclease A containing an isoaspartyl residue: Hydration and sterochemical analysis (121 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 (77 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)) (88 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 (75 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 (86 visite)
Scopinaro F, Pani R, De Vincentis G, Soluri A, Pellegrini R, Porfiri LM
Eur J Nucl Med Mol Imaging (ISSN: 0340-6997, 1619-7070, 1619-7089), 1999 Oct; 26(10): 1279-1288.
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Radioimmunoguided surgery in colorectal cancer: A 6-year experience with four different technical solutions (63 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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Cerebral blood flow in spinocerebellar degenerations: a single photon emission tomography study in 28 patients (65 visite)
De Michele G, Mainenti PP, Soricelli A, Di Salle F, Salvatore E, Longobardi MR, Postiglione A, Salvatore M, Filla A
J Neurol (ISSN: 0340-5354, 1432-1459, 1432-1459electronic), 1998 Sep; 245(9): 603-608.
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Structure of cyclic peptides: the crystal and solution conformation of cyclo(Phe-Phe-Aib-Leu-Pro) (108 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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Direct comparison of technetium 99m-sestamibi and technetium 99m-tetrofosmin cardiac single photon emission computed tomography in patients with coronary artery disease (83 visite)
Acampa W, Cuocolo A, Sullo P, Varrone A, Nicolai E, Pace L, Petretta M, Salvatore M
J Nucl Cardiol (ISSN: 1071-3581, 1532-6551, 1532-6551electronic), 1998 May; 5(3): 265-274.
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Positron-emission tomography with fluorine-18-deoxyglucose in the staging and control of patients with lymphoma. Comparison with clinico-radiologic assessment (61 visite)
Mainolfi C, Maurea S, Varrella P, Alaia C, Imparato C, Alfano B, Abate G, Bazzicalupo L
Radiol Med (ISSN: 1826-6983, 0033-8362, 1826-6983electronic), 1998 Jan; 95(1-2): 98-104.
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Changes in cerebral blood flow during cognitive activation evaluated by single photon emission computed tomography in patients with Alzheimer's disease (71 visite)
Postiglione A, Soricelli A, Grossi D, Romano M, Mainenti PP, Ruocco A, Fragrassi N, Chiacchio L, Milan G, De Chiara S, Brunetti A
Alzheimer S Res (ISSN: 1356-918x), 1997 Jun; 3(3): 93-99.
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99mTc MIBI scintimammography with a high resolution single tube gamma camera: Preliminary study (75 visite)
De Vincentis G, Scopinaro F, Pani R, Pellegrini R, Soluri A, Ierardi M, Ballesio L, Weinberg IN, Pergola A
Anticancer Res (ISSN: 0250-7005, 0250-0700, 1791-7530electronic), 1997 May; 17(3B): 1627-1630.
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Experimental evidence at atomic resolution for intramolecular N- H···π (phenyl) interactions in a family of amino acid derivatives (76 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 (70 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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Positron Emission Tomography (pet) With Fludeoxyglucose F 18 In The Study Of Adrenal Masses: Comparison Of Benign And Malignant Lesions (54 visite)
Maurea S, Mainolfi C, Wang H, Varrella P, Panico M, Klain M, Rossi R, Cremona F, Bazzicalupo L, Salvatore M
Radiol Med, 1996 Dec; 92(6): 782-787.
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Different thallium-201 single-photon emission tomographic patterns in benign and aggressive meningiomas (105 visite)
Tedeschi E, Soricelli A, Brunetti A, Romano M, Bucciero A, Iaconetta G, Alfieri A, Postiglione A, Salvatore M
Eur J Nucl Med Mol Imaging (ISSN: 0340-6997, 1619-7070, 1619-7089), 1996 Nov; 23(11): 1478-1484.
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Evaluation of brain perfusion with high resolution single photon emission tomography in the diagnosis of brain death (73 visite)
Soricelli A, Mainenti PP, Leone D, Discepolo A, Romano M, Varrone A, Servillo G, Serio S, Brunetti A, Salvatore M
Minerva Anestesiol (ISSN: 0375-9393), 1996 Jun; 62(6): 209-212.
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A Platinum(II) Diamino-β-cyclodextrin Complex: A Crystallographic and Solution Study. Synthesis and Structural Characterization of a Platinum(II) Complex of 6A, 6B-Diamino-6A, 6B-dideoxycyclomaltoheptaose (73 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 (67 visite)
Sica F, Adinolfi S, Vitagliano L, Zagari A, Capasso S, Mazzarella L
J Cryst Growth (ISSN: 0022-0248), 1996; 168(1-4): 192-197.
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Solution and solid state structure of an aib-containing cyclodecapeptide inhibiting the cholate uptake in hepatocytes (59 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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EFFECT OF ADENOSINE ON CEREBRAL BLOOD-FLOW AS EVALUATED BY SINGLE-PHOTON EMISSION COMPUTED-TOMOGRAPHY IN NORMAL SUBJECTS AND IN PATIENTS WITH OCCLUSIVE CAROTID DISEASE - A COMPARISON WITH ACETAZOLAMIDE (57 visite)
Soricelli A, Postiglione A, Cuocolo A, De Chiara S, Ruocco A, Brunetti A, Salvatore M, Ell PJ
Stroke (ISSN: 0039-2499), 1995 Sep; 26(9): 1572-1576.
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Early changes of the arterial carotid wall in uncomplicated primary hypertensive patients: Study by ultrasound high-resolution B-mode imaging (59 visite)
Ferrara LA, Mancini M, Celentano A, Galderisi M, Iannuzzi R, Marotta T, Gaeta I
Arterioscler Thromb Vasc Biol Arteriosclerosis Thrombosis And Vascular Biology (ISSN: 1079-5642, 1049-8834), 1994 Sep; 14(8): 1290-1296.
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BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE (71 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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Single-photon emission tomography and magnetic resonance imaging in AIDS patients without focal neurological deficits (63 visite)
TEDESCHI E, BRUNETTI A, SORICELLI A, COVELLI E, PAONE G, ALFANO B, CASTELLI L, OREFICE G, CATALDO P, SALVATORE M
Neuroradiology 1994, 1994; N/D: N/D-N/D.
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Digital imaging in radiology: preliminary results obtained with a high spatial resolution 2D silicon detector (75 visite)
Alfano B, Bandettini A, Bencivelli W, Bertolucci E, Bottigli U, Conti M, Del Guerra A, Fantacci ME, Gambaccini M, Larobina M, Marziani M, Randaccio P, Rosso V, Russo P, Stefanini A
Ieee Transactions On Nuclear Science (ISSN: 0018-9499), 1993 Sep; 40(4pt1): 987-991.
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Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study (66 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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MENSTRUAL EPILEPSY - DIAGNOSTIC CHARACTERIZATION BY POSITRON EMISSION TOMOGRAPHY AND QUANTITATIVE EEG (71 visite)
BRUNETTI A, TEDESCHI G, SORICELLI A, SALVIA S, ALFANO B, COVELLI E, ALOJ L, BONAVITA V, SALVATORE M
Neuroradiologia 1992 Vol Ii, 1992; N/D: N/D-N/D.
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Thermodynamic and 1H-NMR Study of Proton Complex Formation of Histidine-Containing Cyclodipeptides in Aqueous Solution (64 visite)
Arena G, Impellizzeri G, Maccarrone G, Pappalardo G, Sciotto D, Rizzarelli E
J Chem Soc, 1992; N/D: 371-376.
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Comparison of the conformations of cyclolinopeptide A in the solid state and in solution (57 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 (65 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 (58 visite)
Arena G, Impellizzeri G, Maccarrone G, Pappalardo G, Sciotto D, Rizzarelli E
Thermochim Acta, 1989; 154: 97-106.
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Quantitative assessment of blood-brain barrier permeability in multiple sclerosis using 68-Ga-EDTA and positron emission tomography (65 visite) (PDF 102 visite)
Pozzilli C, Bernardi S, Mansi L, Picozzi P, Iannotti F, Alfano B, Bozzao L, Lenzi GL, Salvatore M, Conforti P
J Neurol Neurosurg Psychiatry (ISSN: 0022-3050), 1988 Sep; 51(8): 1058-1062.
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The use of single-photon emission computed tomography in cardiology (72 visite)
Salvatore M, López-Majano V, Pace L, Alfano B
Kardiologiia (ISSN: 0022-9040), 1988 Sep; 28(8): 34-36.
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Single photon emission computerized tomography analysis of ultrafiltration (97 visite)
Memoli B, Cianciaruso B, Lus G, Bisesti V, Andreucci VE, Drioli E, Iorio G, Filosa M, Salvatore M, Alfano B
Dial Transplant (ISSN: 0090-2934), 1987; 16(11): 619-621.
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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 (49 visite) (PDF 49 visite)
Valora G, Bonomo RP, Tabbì G
Inorganica Chimica Acta, 2016 Lug 19; 453(2016): 62-68.
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190 Records (160 escludendo Abstract e Conferenze).
Impact factor totale: 618.109 (519.885 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 678.458 (578.681 escludendo Abstract e Conferenze).

Interrogazione bibliografica effettuata: (([btitle] "Optical Spectra Solution Vibrational Calculations Td-Dft" OR [btitle] "absorption" OR [btitle] "emission" OR [btitle] "solution" OR [btitle] "oligothiophene") AND NOT [id] = 53283)







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