Home Ricerca Sedi Chi siamo Organigramma Personale Contatti Didattica Login Documenti EN
Progetti in evidenza
INCIPIT
 (Link esterno)

ISTAPCA
 (1006 visite)

LightDyNAmics
 (482 visite)

Fondo Europeo Pesca
 (407 visite)

 INMiND
 (1018 visite)

Fondazione Veronesi
 (Link esterno)

Instruct-IT
 (Link esterno)

Euro-BioImaging
 (Link esterno)

 PRIN
 (1153 visite)

 eHealthNet
 (945 visite)

  Ponrec
 (892 visite)

MFAG Grant
 (975 visite)

MERIT
 (Link esterno)


Collegamenti
CNR: National Research Council
CNR Web Tv
Department of biomedical sciences
ERC: European Research Council
CEINGE
APRE: Agenzia per la Promozione della Ricerca Europea
Horizon 2020
Scienza in rete: portale informativo sulla ricerca italiana
Research Italy: un'iniziativa del MIUR
PubMed.gov
International Society for NeuroVascular Diseas
Ministero della Salute
Gazzetta Ufficiale
Amministrazione Trasparente
Quality4lab
Phantomag


▲Menu


UV-vis spectra of p-benzoquinone anion radical in solution by a TD-DFT/PCM approach (160 visite)

Barone V, Improta R, Morelli G, Santoro F

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

Tipo di articolo: Journal Article,

Impact factor: 2.537

Impact factor a 5 anni: 2.564

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

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

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

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

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

Istituto per i Processi Chimico-Fisici - CNR, Area della Ricerca del CNR, via Moruzzi 1, 56124 Pisa, Italy
Patai, S., (1974) Chemistry of Quinoid compounds, , Interscience, New Yor

Schiedt, J., Weinkauf, R., (1999) J Chem Phys, 110, p. 304

Zhao, X., Imahori, H., Zhan, C.-G., Sakata, Y., Iwata, S., Kitagawa, T., (1997) J Phys Chem A, 101, p. 622

Zhao, X., Kitagawa, T., (1998) J Raman Spectrosc, 29, p. 773

Pou-Amèrigo, R., Serrano-Andres, L., Merchán, M., Ortí, E., Forsberg, N., (2000) J Am Chem Soc, 122, p. 6067

Honda, Y., Hada, M., Ehara, M., Nakatsuji, H., (2002) J Phys Chem A, 106, p. 3838

Koch, W., Holthausen, M.C., (2001) A chemist's guide to density functional theory, , 2nd ed. Wiley-VCH, Weinheim

Marques, M.A.L., Gross, E.K.U., (2004) Annu Rev Phys Chem, 55, p. 427

Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem Rev, 105, p. 2999

Dapprich, S., Komaromi, I., Byun, K.S., Morokuma, K., Frisch, M.J., (1999) Theochem, 461, p. 1

Scalmani, G., Frisch, M.J., Mennucci, B., Tomasi, J., Cammi, R., Barone, V., (2006) J Chem Phys, 124, p. 094107

Improta, R., Barone, V., Scalmani, G., Frisch, M.J., (2006) J Chem Phys, 125, p. 054103

Adamo, C., Barone, V., (1999) Chem Phys Lett, 314, p. 152

Frisch, M.J., (2003) Gaussian 03, Revision, (C.02). , Gaussian, Inc, Wallingford

Foresman, J.B., Frisch, A.E., (1996) Exploring chemistry with electronic structure methods, , 2nd edn. Gaussian Inc, Pittsburgh

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

Barone, V., Cossi, M., Tomasi, J., (1997) J Chem Phys, 107, p. 3210

Cossi, M., Barone, V., (2001) J Chem Phys, 115, p. 4708

Hagen, K., Hedberg, K., (1973) J Chem Phys, 59, p. 158

Mattar, S.M., (2004) J Phys Chem B, 108, p. 9449

Drew, A., Weisman, J.L., Head-Gordon, M., (2003) J Chem Phys, 119, p. 2943

Della Sala, F., Görling, A., (2001) J Chem Phys, 115, p. 5718

Yanai, T., Tew, D.P., Handy, N., (2004) Chem Phys Lett, 393, p. 51

Dierksen, M., Grimme, S.S., (2005) J Chem Phys, 122, p. 244101

Gustavsson, T., Banyasz, A., Lazzarotto, E., Markovitsi, D., Scalmani, G., Frisch, M.J., Improta, R., Barone, V., (2006) J Am Chem Soc, 128, p. 607

Pavone, M., Cimino, P., De Angelis, F., Barone, V., (2006) J Am Chem Soc, 128, p. 4338

Barone, V., Polimeno, A., (2006) Phys Chem Chem Phys, 8, p. 4609

Pou-Am rigo, R., Serrano-Andres, L., Merch n, M., Ort, E., Forsberg, N., (2000) J Am Chem Soc, 122, p. 6067

Marques, M. A. L., Gross, E. K. U., (2004) Annu Rev Phys Chem, 55, p. 427

Frisch, M. J., (2003) Gaussian 03, Revision, (C. 02). , Gaussian, Inc, Wallingford

Foresman, J. B., Frisch, A. E., (1996) Exploring chemistry with electronic structure methods, , 2nd edn. Gaussian Inc, Pittsburgh

Mattar, S. M., (2004) J Phys Chem B, 108, p. 9449

Della Sala, F., G rling, A., (2001) J Chem Phys, 115, p. 5718

Yanai, T., Tew, D. P., Handy, N., (2004) Chem Phys Lett, 393, p. 51


Ricerca avanzata▼

Contiene: [X]      Estesa  

Autori: [X]   E Tipo di lavoro: [X]

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

Vai a fine pagina
* Simple and mixed complexes of copper(II) with 8-hydroxyquinoline derivatives and amino acids: Characterization in solution and potential biological implications (24 visite) (PDF 15 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Optical absorption and magnetic circular dichroism spectra of thiouracils: a quantum mechanical study in solution (16 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (48 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy (32 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Vibronic approach to the calculation of the decay rate of the photoexcited charge-transfer state of Guanine-Cytosine stacked dimer in water solution (39 visite)
Cerezo J, Martinez-fernandez L, Improta R, Santoro F
Theoretical Chemistry Accounts, 2016 Sep; N/D: N/D-N/D.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* fac-[Re(H2O)3(CO)3]+ Complexed with Histidine and Imidazole in aqueous solution: Speciation, Affinity and Binding Features (34 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* The anticonvulsant sulfamide JNJ-26990990 and its S, S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies (63 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* The absorption and emission spectra in solution of oligothiophene-based push–pull biomarkers: a PCM/TD-DFT vibronic study (51 visite)
Stendardo E, Ferrer F, Santoro F, Improta R
Theoretical Chemistry Accounts, 2016 Jun; 135: 1-17.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Self-assembly of PEGylated tetra-phenylalanine derivatives: structural insights from solution and solid state studies (54 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Cisplatin encapsulation within a ferritin nanocage: A high-resolution crystallographic study (64 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Erratum to: High-resolution color-Doppler ultrasound for the study of skin growths (77 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* High-resolution color-Doppler ultrasound for the study of skin growths (63 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Simultaneous quantification of amino acids and Amadori products in foods through ion-pairing liquid chromatography-high-resolution mass spectrometry (119 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* A State-Specific PCM-DFT method to include dynamic solvent effects in the calculation of ionization energies: Application to DNA bases (71 visite)
Muñoz-Losa A, Markovitsi D, Improta R
Chemical Physics Letters (ISSN: 0009-2614), 2015; 634: 20-24.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Excited States behavior of nucleobases in solution: insights from computational studies (64 visite)
Improta R, Barone V
Topics In Current Chemistry (ISSN: 0340-1022), 2015; 355: 329-357.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* First-principle computation of absorption and fluorescence spectra in solution accounting for vibronic structure, temperature effects and solvent inhomogenous broadening (127 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (63 visite)
Merlino A, Vergara A, Vitagliano L
Journal Of Synchrotron Radiation (ISSN: 0909-0495), 2014 Jul; 21: N/D-N/D.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Deciphering the zinc coordination properties of the prokaryotic zinc finger domain: The solution structure characterization of Ros87 H42A functional mutant (85 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Extracranial Brain Draining Veins In Mouse: Assessment By High Resolution Ultrasound And Mr Angiography Of The Neck (72 visite) (PDF 78 visite)
Mancini M, Palma G, Tedeschi E, Greco A, Ragucci M
Abstract, 2014 Feb; N/D: N/D-N/D.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Conformational Disorder In Phosphopeptides: Solution Studies By Cd And Nmr Techniques (68 visite)
Leone M, Mercurio FA, Vincenzi M, Accardo A, Ringhieri P, Tesauro D, Carrière F, Rossi F
Peptidomics, 2014; 1: 14-21.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (80 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* High-resolution, handheld camera use for occult breast lesion localization plus sentinel node biopsy (SNOLL): A single-institution experience with 186 patients (59 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (75 visite)
Tabbì G, Giuffrida A, Bonomo RP
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2013 Nov; 128: 137-145.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* A Novel Interdomain Interface In Crystallins: Structural Characterization Of The Beta Gamma-Crystallin From Geodia Cydonium At 0. 99 Angstrom Resolution (114 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (84 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Affinity, speciation, and molecular features of copper(II) complexes with a prion tetraoctarepeat domain in aqueous solution: insights into old and new results (89 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (67 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* High-resolution positron emission tomography/computed tomography imaging of the mouse heart (144 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (68 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* New device based on the super spatial resolution (SSR) method (121 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Solution conformational features and interfacial properties of an intrinsically disordered peptide coupled to alkyl chains: A new class of peptide amphiphiles (73 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* High-resolution structures of two complexes between thrombin and thrombin-binding aptamer shed light on the role of cations in the aptamer inhibitory activity (89 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Reproducibility and accuracy of non-invasive measurement of infarct size in mice with high-resolution PET/CT (89 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Solution Structure of the First Sam Domain of Odin and Binding Studies with the EphA2 Receptor (69 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Solvent effects on electron-driven proton-transfer processes: Adenine-thymine base pairs (55 visite)
Dargiewicz M, Biczysko M, Improta R, Barone V
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2012; 14(25): 8981-8989.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Vibrationally resolved absorption and emission spectra of dithiophene in the gas phase and in solution by first-principle quantum mechanical calculations (62 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (54 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Electrochemical characterization of ordered arrays of metallo-porphyrins in aqueous solution (88 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Computing the inhomogeneous broadening of electronic transitions in solution: A first-principle quantum mechanical approach (62 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Super Spatial Resolution (SSR) method for scintigraphic imaging (154 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Reproducibility of Quantitative Measurement of Infarct Size in Mice With High-Resolution PET/CT Imaging (71 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Carbonic anhydrase inhibitors: Crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV (67 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Time-Dependent and Time-Independent Approaches for the Computation of Absorption Spectra of Uracil Derivatives in Solution (56 visite)
Improta R, Lami A, Barone V SF
International Journal Of Quantum Chemistry (ISSN: 0020-7608), 2010 Mar 5; 110(3): 624-636.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* The excited electronic states of adenine-guanine stacked dimers in aqueous solution: A PCM/TD-DFT study (68 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (63 visite)
Improta R, Barone V
J Mol Struct Theochem (ISSN: 0166-1280), 2009 Nov 30; 914(1-3): 87-93.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Lung disease assessment in primary ciliary dyskinesia: a comparison between chest high-field magnetic resonance imaging and high-resolution computed tomography findings (82 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (71 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Conformational preferences of the full chicken prion protein in solution and its differences with respect to mammals (73 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Three-dimensional diabatic models for the ππ* → nπ*excited-state decay of uracil derivatives in solution (56 visite)
Santoro F, Improta R, Barone V
Theor Chem Acc (ISSN: 1432-881x), 2009 Jun; 123(3-4): 273-286.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Effects Of High Frequency Ultrasound On Echogenicity Of Ultrasound Contrast Agents Solutions (66 visite)
Mancini M, Speranza A, Greco A, Salvatore M
Endocrinology, 2009; 35(8S): 221-221.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Sterochemistry And Thermodynamics Of The Inclusion Of Aliphatic And Aromatic Anionic Guests In A Tetracationic Calix [4] Arene In Acidic And Neutral Aqueous Solutions (42 visite)
Sgarlata C, Bonaccorso C, Gulino FG, Zito V, Arena G, Sciotto D
New Journal Of Chemistry, 2009; 33: 991-991.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (57 visite)
Santoro F, Barone V, Improta R
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(42): 15232-15245.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: A PCM/TD-DFT study (50 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* The excited states of adenine and thymine nucleoside and nucleotide in aqueous solution: A comparative study by time-dependent DFT calculations (67 visite)
Improta R, Barone V
Theor Chem Acc (ISSN: 1432-881x), 2008 Jul; 120(4-6): 491-497.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Assessing solvent effects on the singlet excited state lifetime of uracil derivatives: A femtosecond fluorescence upconversion study in alcohols and D2O (56 visite)
Gustavsson T, Bányász A, Sarkar N, Markovitsi D, Improta R
Chem Phys (ISSN: 0301-0104), 2008 Jun 23; 350(1-3): 186-192.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Quantum mechanical computations and spectroscopy: From small rigid molecules in the gas phase to large flexible molecules in solution (66 visite)
Barone V, Improta R, Rega N
Acc Chem Res (ISSN: 0001-4842), 2008 May; 41(5): 605-616.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Atomic Resolution (1. 1 Angstrom) Structure Of The Ribosome-Inactivating Protein Pd-L4 From Phytolacca Dioica L. Leaves (78 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* High-resolution, hand-held camera for sentinel-node detection (74 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* High-Resolution Imaging System (HiRIS) based on H9500 PSPMT (124 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

The Excited States Of Pi-Stacked 9-Methyl Adenine Oligomers: A Td-Dft Study In Aqueous Solution (55 visite)
Improta R
Physical Chemistry Chemical Physics, 2008; 10: 2656-2664.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* The Prokaryotic Cys2his2 Zinc Finger Domain Adopts A Novel Fold As Revealed By The Solution Structure Of Agrobacterium Tumefaciens Ros Dna Binding Domain (61 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach (54 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1, 3-disulfonamides-Solution and crystallographic studies (69 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution (65 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* High resolution small animal single photon emission computed tomography: Uptake of [99mTc]bombesin and [123I]ioflupane by rat brain (95 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution (53 visite)
Santoro F, Lami A, Improta R, Barone V
J Chem Physj Chem Phys (ISSN: 0021-9606), 2007 May 14; 126(18): 184102-184102.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Excited state properties of sizable molecules in solution: From structure to reactivity (59 visite)
Santoro F, Barone V, Benzi C, Improta R
Theor Chem Acc (ISSN: 1432-881x), 2007 May; 117(5-6): 1073-1084.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Solvent effects on the steady-state absorption and fluorescence spectra of uracil, thymine and 5-fluorouracil (62 visite)
Gustavsson T, Sarkar N, Banyasz A, Markovitsi D, Improta R
Photochem Photobiol (ISSN: 0031-8655), 2007 May; 83(3): 595-599.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution (61 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153 (69 visite)
Improta R, Barone V, Santoro F
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2007; 46(3): 405-408.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Erratum: Effective Method To Compute Franck-Condon Integrals For Optical Spectra Of Large Molecules In Solution (39 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* New high spatial resolution portable camera in medical imaging (66 visite) (PDF 59 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Radioisotope guided surgery with imaging probe, a hand-held high-resolution gamma camera (59 visite) (PDF 59 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Molecular imaging: High-resolution detectors for early diagnosis and therapy monitoring of breast cancer (76 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Solution structure of mouse Cripto CFC domain and its inactive variant Trp107Ala (66 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (71 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 (66 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

* A Parameter Free Quantum Mechanical Approach To The Calculation Of Electron Transfer Rates For Large Systems In Solution (50 visite)
Improta R, Barone V, Newton MD
Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-7641electronic), 2006 Jun 12; 7(6): 1211-1215.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives (107 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* A combined femtosecond fluorescence and TD-DFT study of uracil derivatives in aqueous solution (56 visite)
Gustavsson T, Lazzarotto E, Markovitsi D, Banyasz AA, Improta R, Scalmani G
Femtochemistry Vii Elsevier (ISSN: 9780-4445), 2006; N/D: 254-257.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* A State-Specific Pcm Td-Dft Method For Equilibrium And Non-Equilibrium Excited State Calculations In Solution (92 visite)
Improta R, Barone V, Scalmani G, Frisch MJ
The Journal Of Chemical Physics (ISSN: 0897-690online, 0021-9606printed), 2006; 125(5): 54103-54103.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Bombesin receptors and transplanted stem cells in rat brain: High-resolution scan with 99mTc BN1 (79 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* High-resolution mini gamma camera for diagnosis and radio-guided surgery in diabetic foot infection (106 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* High-resolution scintigraphy and 99mTc Bombesin are able to guide Mammotome biopsy and to detect lymph node invasion (60 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Lysozyme mutual diffusion in solutions crowded by poly(ethylene glycol) (56 visite)
Vergara A, Capuano F, Paduano L, Sartorio R
Macromoleculesmacromolecules (ISSN: 0024-9297), 2006; 39(13): 4500-4506.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Pressure perturbation calorimetry of poly(ethylene) glycol solutions in water (52 visite)
Attanasio F, Rialdi G, Swierzewski R, Zielenkiewicz W
Journal Of Thermal Analysis And Calorimetry (ISSN: 1388-6150), 2006; 83(3): 637-640.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Small field of view, high-resolution, portable γ-camera for axillary sentinel node detection (47 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Artificial di-iron proteins: solution characterization of four helix bundles containing two distinct types of inter-helical loops (47 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (69 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* High resolution mini-gammacamera and 99mTc [HMPAO] - leukocytes for diagnosis of infection and radioguided surgery in diabetic foot (123 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies (84 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Absorption and fluorescence spectra of uracil in the gas phase and in aqueous solution: A TD-DFT quantum mechanical study (133 visite)
Improta R, Barone V
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2004 Nov 10; 126(44): 14320-14321.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* High Resolution Crystallographic Studies Of Alpha-Hemolysin-Phospholipid Complexes Define Heptamer-Lipid Head Group Interactions: Implication For Understanding Protein-Lipid Interactions (72 visite)
Galdiero S, Gouaux E
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2004 Jun; 13(6): 1503-1511.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Solution structure and backbone dynamics of the K18G/R82E Alicyclobacillus acidocaldarius thioredoxin mutant: A molecular analysis of its reduced thermal stability (61 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Nucleophilic Cyclopropane Ring Opening in Duocarmycin SA Derivatives by Methanol under Acid Conditions: A Quantum Mechanical Study in the Gas-Phase and in Solution (65 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site: Solution conformation of a 41-mer peptide (38 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Conformational behavior and magnetic properties of a nitroxide amino acid derivative in vacuo and in aqueous solution (62 visite)
D'Amore M, Improta R, Barone V
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2003; 107(32): 6264-6269.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Non-covalent synthesis in aqueous solution of discrete multi-porphyrin aggregates with programmable stoichiometry and sequence (64 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (54 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model (62 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution (79 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Recent advances in atomic resolution protein crystallography (64 visite)
Esposito L, Vitagliano L, Mazzarella L
Protein And Peptide Letters (ISSN: 0929-8665, 1875-5305), 2002 Apr; 9(2): 95-105.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution (57 visite)
Benzi C, Improta R, Scalmani G, Barone V
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2002 Feb; 23(3): 341-350.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Atomic resolution structures of ribonuclease A at six pH values (77 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Atomic Resolution Structures Of Rnase A At Six Ph Values (52 visite)
Berisio R, Sica F, Lamzin VS, Wilson KS, Zagari A, Mazzarella L
Acta Crystallogr D Biol Crystallogr, 2002; N/D: 441-450.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Electrospray mass spectrometric studies of L-carnosine (β-alanyl-L-histidine) complexes with copper(II) or zinc ions in aqueous solution (78 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Synthesis and solution characterization of a porphyrin-CCK8 conjugate (65 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Atomic resolution structure of a mutant of the spectrin SH3 domain (54 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Solid state and solution conformation of [Ala7]-phalloidin: A synthetic phallotoxin analogue (66 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Experimental evidence for the correlation of bond distances in peptide groups detected in ultrahigh-resolution protein structures (64 visite)
Esposito L, Vitagliano L, Zagari A, Mazzarella L
Protein Eng (ISSN: 0269-2139, 0269-2139print, 0269-2139linking), 2000 Dec; 13(12): 825-828.
Dettagli    Esporta in BibTeX    Esporta in EndNote

The ultrahigh resolution crystal structure of ribonuclease A containing an isoaspartyl residue: Hydration and sterochemical analysis (115 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Crystal Structure Of A Collagen-Like Polypeptide With Repeating Sequence Pro-Hyp-Gly At 1. 4 Ang Resolution: Implications For Collagen Hydration (71 visite)
Berisio R, Vitagliano L, Mazzarella L, Zagari A
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 8-13.
Dettagli    Esporta in BibTeX    Esporta in EndNote

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)) (79 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (69 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

High-resolution scintimammography improves the accuracy of technetium-99m methoxyisobutylisonitrile scintimammography: Use of a new dedicated gamma camera (77 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Radioimmunoguided surgery in colorectal cancer: A 6-year experience with four different technical solutions (60 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Structure of cyclic peptides: the crystal and solution conformation of cyclo(Phe-Phe-Aib-Leu-Pro) (96 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

99mTc MIBI scintimammography with a high resolution single tube gamma camera: Preliminary study (69 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Experimental evidence at atomic resolution for intramolecular N- H···π (phenyl) interactions in a family of amino acid derivatives (69 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Solution conformational preferences of a peptidic analogue of a natural macrolide (67 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Evaluation of brain perfusion with high resolution single photon emission tomography in the diagnosis of brain death (67 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (64 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Cosolute effect on crystallization of two dinucleotide complexes of bovine seminal ribonuclease from concentrated salt solutions (61 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Solution and solid state structure of an aib-containing cyclodecapeptide inhibiting the cholate uptake in hepatocytes (52 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Early changes of the arterial carotid wall in uncomplicated primary hypertensive patients: Study by ultrasound high-resolution B-mode imaging (56 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE (59 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Digital imaging in radiology: preliminary results obtained with a high spatial resolution 2D silicon detector (69 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study (56 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Thermodynamic and 1H-NMR Study of Proton Complex Formation of Histidine-Containing Cyclodipeptides in Aqueous Solution (52 visite)
Arena G, Impellizzeri G, Maccarrone G, Pappalardo G, Sciotto D, Rizzarelli E
J Chem Soc, 1992; N/D: 371-376.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Comparison of the conformations of cyclolinopeptide A in the solid state and in solution (50 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Bioactive peptides: Solid-state and solution conformation of cyclolinopeptide (51 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.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Non-Covalent Interactions in Cyclopeptide Proton Complex Formation in Aqueous Solution (52 visite)
Arena G, Impellizzeri G, Maccarrone G, Pappalardo G, Sciotto D, Rizzarelli E
Thermochim Acta, 1989; 154: 97-106.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* An EPR and voltammetric study of simple and mixed copper(II) complexes with L- or D-glutamate and L-arginate in aqueous solution (40 visite) (PDF 43 visite)
Valora G, Bonomo RP, Tabbì G
Inorganica Chimica Acta, 2016 Lug 19; 453(2016): 62-68.
Dettagli    Esporta in BibTeX    Esporta in EndNote



133 Records (118 escludendo Abstract e Conferenze).
Impact factor totale: 421.998 (380.113 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 470.582 (428.319 escludendo Abstract e Conferenze).

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







    Esporta in BibTeX    Esporta in EndNote

Ultima modifica di Marco Comerci in data Thursday 19 March 2015, 16:43:15
160 visite. Ultima visita in data Sunday 06 May 2018, 18:08:10
Webmaster and developer: Marco Comerci
Per problemi e suggerimenti: adminibb.cnr.it
Ultimo aggiornamento: Thursday 24 May 2018, 14:37:17