Solvent polarity and pH effects on the magnetic properties of ionizable nitroxide radicals: A combined computational and experimental study of 2, 2, 5, 5-tetramethyl-3-carboxypyrrolidine and 2, 2, 6, 6-tetramethyl-4-carboxypiperidine nitroxides (283 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2002; 106(44): 10700-10706.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 2.765, 5-year impact factor: 2.794
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-0037038564&partnerID=40&md5=e564a5f3e08a2d31c28b7c1fe1922f65
Keywords: Quantum Mechanical Computations, Computational Methods, Continuum Mechanics, Dissociation, Paramagnetic Resonance, Ph Effects, Polarization, Potentiometers (electric Measuring Instruments), Protons, Spectroscopic Analysis, Aromatic Compounds,
Affiliations:
*** IBB - CNR ***
Dipartimento di Chimica, Università Federico II, Complesso Universitario Monte S. Angelo, Via Cintia, 80126 Napoli, Italy
Istituto di Biostrutture e Bioimmagini-CNR, Via Mezzocannone 6, 80134 Napoli, Italy
References:
Berliner, L.J., (1976) Spin Labeling: Theory and Applications, , Academic Press: New Yor
Keana, J.F.W., (1978) Chem. Rev., 78, p. 37
Rassat, A., (1990) Pure Appl. Chem., 62, p. 223
Ricca, A., Tronchet, J.M., Weberand, J., Ellinger, Y., (1992) J. Phys. Chem., 96, p. 10779
Knauer, B.R., Napier, J.J., (1976) J. Am. Chem. Soc., 98, p. 4395
Schwartz, R.N., Peric, M., Smith, S.A., Bales, B.L., (1997) J. Phys. Chem., 101, p. 8735
Tedeschi, A.M., D'Errico, G., Busi, E., Basosi, R., Barone, V., (2002) Phys. Chem. Chem. Phys., 4, p. 2180
Haering, G., Luisi, P.L., Hauser, H., (1988) J. Phys. Chem., 92, p. 3574
Subezynski, W.K., Antholine, W.E., Hyde, J.S., Kusumi, A., (1990) Biochemistry, 29, p. 736
Marsh, D., Watts, A., Knowles, P.F., (1976) Biochemistry, 15, p. 3570
Khramtsov, V.V., Weiner, L.M., Grigoriev, I.A., Volodarsky, L.B., (1982) Chem. Phys. Lett., 91, p. 69
Keana, J.F.W., Acarregui, M.J., Boyle, L.M., (1982) J. Am. Chem. Soc., 104, p. 827
Kohn, W., Sham, L., (1965) J. Phys. Rev. A, p. 1133
Parr, R.G., Yang, W., (1970) Density Functional Theory of Atoms and Molecules, p. 230. , Oxford University Press: New York
Adamo, C., Barone, V., (1999) J. Chem. Phys., 110, p. 6158
Amovilli, C., Barone, V., Cammi, R., Cances, E., Cossi, M., Mennucci, B., Pomelli, C.S., Tomasi, J., (1999) Advances in Quantum Chemistry, 32. , Academic Press: New York
Barone, V., Cossi, M., Tomasi, J., (1997) J. Chem. Phys., 107, p. 3210
Cossi, M., Rega, N., Scalmani, G., Barone, V., (2001) J. Chem. Phys., 114, p. 5691
(2002) J. Chem. Phys., 117, p. 43
Foresman, J.B., Frisch, A.E., (1996) Exploring Chemistry with Electronic Structure Methods, 2nd ed., , Gaussian Inc., Pittsburgh PA
Chipman, D.M., (1989) Theor. Chim. Acta, 76, p. 73
Gaussian Inc.: Pittsburgh, PA, 2002Barone, V., Bencini, A., Cossi, M., Di Matteo, A., Mattesini, M., Totti, F., (1998) J. Am. Chem. Soc., 120, p. 7069
Barone, V., Di Matteo, A., Mele, F., De, P.R., Moreira, I., Illas, F., (1999) Chem. Phys. Lett., 302, p. 240
Barone, V., Grand, A., Minichino, C., Subra, R., (1993) J. Phys. Chem., 97, p. 6355
Improta, R., Scalmani, G., Barone, V., (2001) Chem. Phys. Lett., 336, p. 349
Dapprich, S., Komaroni, I., Byum, K.S., Morokuma, K., Frisch, M.J., (1999) THEOCHEM, 461, p. 1
Di Matteo, A., Barone, V., (1999) J. Phys. Chem. A, 103, p. 7676
Liptak, M.D., Shields, G.C., (2001) J. Am. Chem. Soc., 123, p. 7314
McQuerry, D.M., (1970) Statistical Mechanics, p. 86. , Harper and Row: New York
Topol, I.A., Tawa, G.J., Burt, S.K., Rashin, A.A., (1999) J. Chem. Phys., 111, p. 10998
Tissandier, M.D., Cowen, K.A., Feng, W.Y., Gundluach, E., Cohen, M.H., Earhart, A.D., Coe, J.V., Tuttle, T.R., (1998) J. Phys. Chem. A, 102, p. 7787
Owenius, R., Engström, M., Lindgren, M., (2001) J. Phys. Chem. A, 105, p. 10967
Boys, S., Bernardi, F., (1970) Mol. Phys., 19, p. 553
Simpson, M.C.R., Pena-Nuez, A., (1985) J. Chem. Soc., Faraday Trans. 1, 81, p. 2421
Berliner, L. J., (1976) Spin Labeling: Theory and Applications, , Academic Press: New Yor
Keana, J. F. W., (1978) Chem. Rev., 78, p. 37
Knauer, B. R., Napier, J. J., (1976) J. Am. Chem. Soc., 98, p. 4395
Schwartz, R. N., Peric, M., Smith, S. A., Bales, B. L., (1997) J. Phys. Chem., 101, p. 8735
Tedeschi, A. M., D'Errico, G., Busi, E., Basosi, R., Barone, V., (2002) Phys. Chem. Chem. Phys., 4, p. 2180
Subezynski, W. K., Antholine, W. E., Hyde, J. S., Kusumi, A., (1990) Biochemistry, 29, p. 736
Khramtsov, V. V., Weiner, L. M., Grigoriev, I. A., Volodarsky, L. B., (1982) Chem. Phys. Lett., 91, p. 69
Keana, J. F. W., Acarregui, M. J., Boyle, L. M., (1982) J. Am. Chem. Soc., 104, p. 827
Parr, R. G., Yang, W., (1970) Density Functional Theory of Atoms and Molecules, p. 230. , Oxford University Press: New York
(2002) J. Chem. Phys., 117, p. 43
Foresman, J. B., Frisch, A. E., (1996) Exploring Chemistry with Electronic Structure Methods, 2nd ed., , Gaussian Inc., Pittsburgh PA
Chipman, D. M., (1989) Theor. Chim. Acta, 76, p. 73
Liptak, M. D., Shields, G. C., (2001) J. Am. Chem. Soc., 123, p. 7314
McQuerry, D. M., (1970) Statistical Mechanics, p. 86. , Harper and Row: New York
Topol, I. A., Tawa, G. J., Burt, S. K., Rashin, A. A., (1999) J. Chem. Phys., 111, p. 10998
Tissandier, M. D., Cowen, K. A., Feng, W. Y., Gundluach, E., Cohen, M. H., Earhart, A. D., Coe, J. V., Tuttle, T. R., (1998) J. Phys. Chem. A, 102, p. 7787
Simpson, M. C. R., Pena-Nuez, A., (1985) J. Chem. Soc., Faraday Trans. 1, 81, p. 2421
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2002; 106(44): 10700-10706.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 2.765, 5-year impact factor: 2.794
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-0037038564&partnerID=40&md5=e564a5f3e08a2d31c28b7c1fe1922f65
Keywords: Quantum Mechanical Computations, Computational Methods, Continuum Mechanics, Dissociation, Paramagnetic Resonance, Ph Effects, Polarization, Potentiometers (electric Measuring Instruments), Protons, Spectroscopic Analysis, Aromatic Compounds,
Affiliations:
*** IBB - CNR ***
Dipartimento di Chimica, Università Federico II, Complesso Universitario Monte S. Angelo, Via Cintia, 80126 Napoli, Italy
Istituto di Biostrutture e Bioimmagini-CNR, Via Mezzocannone 6, 80134 Napoli, Italy
References:
Berliner, L.J., (1976) Spin Labeling: Theory and Applications, , Academic Press: New Yor
Keana, J.F.W., (1978) Chem. Rev., 78, p. 37
Rassat, A., (1990) Pure Appl. Chem., 62, p. 223
Ricca, A., Tronchet, J.M., Weberand, J., Ellinger, Y., (1992) J. Phys. Chem., 96, p. 10779
Knauer, B.R., Napier, J.J., (1976) J. Am. Chem. Soc., 98, p. 4395
Schwartz, R.N., Peric, M., Smith, S.A., Bales, B.L., (1997) J. Phys. Chem., 101, p. 8735
Tedeschi, A.M., D'Errico, G., Busi, E., Basosi, R., Barone, V., (2002) Phys. Chem. Chem. Phys., 4, p. 2180
Haering, G., Luisi, P.L., Hauser, H., (1988) J. Phys. Chem., 92, p. 3574
Subezynski, W.K., Antholine, W.E., Hyde, J.S., Kusumi, A., (1990) Biochemistry, 29, p. 736
Marsh, D., Watts, A., Knowles, P.F., (1976) Biochemistry, 15, p. 3570
Khramtsov, V.V., Weiner, L.M., Grigoriev, I.A., Volodarsky, L.B., (1982) Chem. Phys. Lett., 91, p. 69
Keana, J.F.W., Acarregui, M.J., Boyle, L.M., (1982) J. Am. Chem. Soc., 104, p. 827
Kohn, W., Sham, L., (1965) J. Phys. Rev. A, p. 1133
Parr, R.G., Yang, W., (1970) Density Functional Theory of Atoms and Molecules, p. 230. , Oxford University Press: New York
Adamo, C., Barone, V., (1999) J. Chem. Phys., 110, p. 6158
Amovilli, C., Barone, V., Cammi, R., Cances, E., Cossi, M., Mennucci, B., Pomelli, C.S., Tomasi, J., (1999) Advances in Quantum Chemistry, 32. , Academic Press: New York
Barone, V., Cossi, M., Tomasi, J., (1997) J. Chem. Phys., 107, p. 3210
Cossi, M., Rega, N., Scalmani, G., Barone, V., (2001) J. Chem. Phys., 114, p. 5691
(2002) J. Chem. Phys., 117, p. 43
Foresman, J.B., Frisch, A.E., (1996) Exploring Chemistry with Electronic Structure Methods, 2nd ed., , Gaussian Inc., Pittsburgh PA
Chipman, D.M., (1989) Theor. Chim. Acta, 76, p. 73
Gaussian Inc.: Pittsburgh, PA, 2002Barone, V., Bencini, A., Cossi, M., Di Matteo, A., Mattesini, M., Totti, F., (1998) J. Am. Chem. Soc., 120, p. 7069
Barone, V., Di Matteo, A., Mele, F., De, P.R., Moreira, I., Illas, F., (1999) Chem. Phys. Lett., 302, p. 240
Barone, V., Grand, A., Minichino, C., Subra, R., (1993) J. Phys. Chem., 97, p. 6355
Improta, R., Scalmani, G., Barone, V., (2001) Chem. Phys. Lett., 336, p. 349
Dapprich, S., Komaroni, I., Byum, K.S., Morokuma, K., Frisch, M.J., (1999) THEOCHEM, 461, p. 1
Di Matteo, A., Barone, V., (1999) J. Phys. Chem. A, 103, p. 7676
Liptak, M.D., Shields, G.C., (2001) J. Am. Chem. Soc., 123, p. 7314
McQuerry, D.M., (1970) Statistical Mechanics, p. 86. , Harper and Row: New York
Topol, I.A., Tawa, G.J., Burt, S.K., Rashin, A.A., (1999) J. Chem. Phys., 111, p. 10998
Tissandier, M.D., Cowen, K.A., Feng, W.Y., Gundluach, E., Cohen, M.H., Earhart, A.D., Coe, J.V., Tuttle, T.R., (1998) J. Phys. Chem. A, 102, p. 7787
Owenius, R., Engström, M., Lindgren, M., (2001) J. Phys. Chem. A, 105, p. 10967
Boys, S., Bernardi, F., (1970) Mol. Phys., 19, p. 553
Simpson, M.C.R., Pena-Nuez, A., (1985) J. Chem. Soc., Faraday Trans. 1, 81, p. 2421
Berliner, L. J., (1976) Spin Labeling: Theory and Applications, , Academic Press: New Yor
Keana, J. F. W., (1978) Chem. Rev., 78, p. 37
Knauer, B. R., Napier, J. J., (1976) J. Am. Chem. Soc., 98, p. 4395
Schwartz, R. N., Peric, M., Smith, S. A., Bales, B. L., (1997) J. Phys. Chem., 101, p. 8735
Tedeschi, A. M., D'Errico, G., Busi, E., Basosi, R., Barone, V., (2002) Phys. Chem. Chem. Phys., 4, p. 2180
Subezynski, W. K., Antholine, W. E., Hyde, J. S., Kusumi, A., (1990) Biochemistry, 29, p. 736
Khramtsov, V. V., Weiner, L. M., Grigoriev, I. A., Volodarsky, L. B., (1982) Chem. Phys. Lett., 91, p. 69
Keana, J. F. W., Acarregui, M. J., Boyle, L. M., (1982) J. Am. Chem. Soc., 104, p. 827
Parr, R. G., Yang, W., (1970) Density Functional Theory of Atoms and Molecules, p. 230. , Oxford University Press: New York
(2002) J. Chem. Phys., 117, p. 43
Foresman, J. B., Frisch, A. E., (1996) Exploring Chemistry with Electronic Structure Methods, 2nd ed., , Gaussian Inc., Pittsburgh PA
Chipman, D. M., (1989) Theor. Chim. Acta, 76, p. 73
Liptak, M. D., Shields, G. C., (2001) J. Am. Chem. Soc., 123, p. 7314
McQuerry, D. M., (1970) Statistical Mechanics, p. 86. , Harper and Row: New York
Topol, I. A., Tawa, G. J., Burt, S. K., Rashin, A. A., (1999) J. Chem. Phys., 111, p. 10998
Tissandier, M. D., Cowen, K. A., Feng, W. Y., Gundluach, E., Cohen, M. H., Earhart, A. D., Coe, J. V., Tuttle, T. R., (1998) J. Phys. Chem. A, 102, p. 7787
Simpson, M. C. R., Pena-Nuez, A., (1985) J. Chem. Soc., Faraday Trans. 1, 81, p. 2421
Solvent polarity and pH effects on the magnetic properties of ionizable nitroxide radicals: A combined computational and experimental study of 2, 2, 5, 5-tetramethyl-3-carboxypyrrolidine and 2, 2, 6, 6-tetramethyl-4-carboxypiperidine nitroxides
The modulation induced by different solvents and by pH on the nitrogen isotropic hyperfine coupling constants (A N) of 2,2,5,5-tetramethyl-3-carboxypyrrolidine (3-carboxy-PROXYL,CP) and 2,2,6,6-tetramethyl-4-carboxypiperidine (4-carboxy-TEMPO,CT) nitroxides is studied through ab initio quantum mechanical computations and by EPR spectroscopy. The geometry of the neutral and deprotonated forms and the corresponding dissociation constants are computed by using the hybrid PBE0 functional. With these structures, accurate A N values are obtained by an integrated post-Hartree-Fock/PBE0 approach. Specific solvent effects are modeled by including a few solvent molecules (strongly bound to the solute), whereas bulk contributions are taken into account by the polarizable continuum model (PCM). Both EPR spectra and quantum mechanical computations point out that A N increases with increasing solvent polarity and, especially, H-bond ability. The A N values obtained by our computational model both for the neutral and deprotonated forms in aqueous solution are in good agreement with EPR values. On the other hand, the computed pK a values(4.97 and 5.25 for CP and CT, respectively) are significantly larger than the value reported in the literature for CP (3.4). New potentiometric and spectroscopic measurements lead to values (4 and 4.30 for CP and CT, respectively) in better agreement with quantum mechanical computations and chemical intuition. Also the calculated magnetic titration curves in aqueous solution are in quite good agreement with our new EPR curves.
The modulation induced by different solvents and by pH on the nitrogen isotropic hyperfine coupling constants (A N) of 2,2,5,5-tetramethyl-3-carboxypyrrolidine (3-carboxy-PROXYL,CP) and 2,2,6,6-tetramethyl-4-carboxypiperidine (4-carboxy-TEMPO,CT) nitroxides is studied through ab initio quantum mechanical computations and by EPR spectroscopy. The geometry of the neutral and deprotonated forms and the corresponding dissociation constants are computed by using the hybrid PBE0 functional. With these structures, accurate A N values are obtained by an integrated post-Hartree-Fock/PBE0 approach. Specific solvent effects are modeled by including a few solvent molecules (strongly bound to the solute), whereas bulk contributions are taken into account by the polarizable continuum model (PCM). Both EPR spectra and quantum mechanical computations point out that A N increases with increasing solvent polarity and, especially, H-bond ability. The A N values obtained by our computational model both for the neutral and deprotonated forms in aqueous solution are in good agreement with EPR values. On the other hand, the computed pK a values(4.97 and 5.25 for CP and CT, respectively) are significantly larger than the value reported in the literature for CP (3.4). New potentiometric and spectroscopic measurements lead to values (4 and 4.30 for CP and CT, respectively) in better agreement with quantum mechanical computations and chemical intuition. Also the calculated magnetic titration curves in aqueous solution are in quite good agreement with our new EPR curves.
Solvent polarity and pH effects on the magnetic properties of ionizable nitroxide radicals: A combined computational and experimental study of 2, 2, 5, 5-tetramethyl-3-carboxypyrrolidine and 2, 2, 6, 6-tetramethyl-4-carboxypiperidine nitroxides
Solvent polarity and pH effects on the magnetic properties of ionizable nitroxide radicals: A combined computational and experimental study of 2, 2, 5, 5-tetramethyl-3-carboxypyrrolidine and 2, 2, 6, 6-tetramethyl-4-carboxypiperidine nitroxides
Other filter: ([btitle,keywords] "Quantum Mechanical C ...
Avitabile C, D'Andrea LD, Saviano M, Olivieri M, Cimmino A, Romanelli A
* Binding studies of antimicrobial peptides to Escherichia coli cells (389 views)
Biochem Bioph Res Co (ISSN: 0006-291x), 2016 Sep 09; 478(1): 149-153.
Impact Factor: 2.466
View Export to BibTeX Export to EndNote
Farina B, De Paola I, Russo L, Capasso D, Liguoro A, Gatto AD, Saviano M, Pedone PV, Di Gaetano S, Malgieri G, Zaccaro L, Fattorusso R
* A Combined NMR and Computational Approach to Determine the RGDechi-hCit-alphav beta3 Integrin Recognition Mode in Isolated Cell Membranes (688 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Jan 11; 22(2): 681-693.
Impact Factor: 5.317
View Export to BibTeX Export to EndNote
Zhang Y, de La Harpe K, Beckstead AA, Improta R, Kohler B
* UV-Induced Proton Transfer between DNA Strands (495 views) (PDF 242 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2015 Jun 10; 137(22): 7059-7062.
Impact Factor: 13.038
View Export to BibTeX Export to EndNote
Calce E, Monfregola L, Saviano M, De Luca S
* HER2-mediated anticancer drug delivery: strategies to prepare targeting ligands highly specific for the receptor (574 views)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 May 20; 22(21): 2525-2538.
Impact Factor: 3.455
View Export to BibTeX Export to EndNote
GrassoG, Satriano C, Milardi D
* A neglected modulator of insulin-degrading enzyme activity and conformation: The pH (409 views)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2015; 203-204: 33-40.
Impact Factor: 2.363
View Export to BibTeX Export to EndNote
Mercurio FA, Di Natale C, Pirone L, Scognamiglio PL, Marasco D, Pedone EM, Saviano M, Leone M
* Peptide Fragments of Odin-Sam1: Conformational Analysis and Interaction Studies with EphA2-Sam (464 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2015; 16(11): 1629-1636.
Impact Factor: 2.85
View Export to BibTeX Export to EndNote
Picone D, Donnarumma F, Ferraro G, Russo Krauss I, Fagagnini A, Gotte G, Merlino A
* Platinated oligomers of bovine pancreatic ribonuclease: Structure and stability (414 views)
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2015; 146: 37-43.
Impact Factor: 3.205
View Export to BibTeX Export to EndNote
Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S
* TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids (370 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
Impact Factor: 2.883
View Export to BibTeX Export to EndNote
Balasco N, Pirone L, Smaldone G, Di Gaetano S, Esposito L, Pedone E, Vitagliano L
* Molecular recognition of Cullin3 by KCTDs: Insights from experimental and computational investigations (371 views)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Jul; 1844(7): 1289-1298.
Impact Factor: 4.882
View Export to BibTeX Export to EndNote
Improta R
* Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex (558 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jun 23; 20(26): 8106-8115.
Impact Factor: 5.731
View Export to BibTeX Export to EndNote
Santoro F, Improta R, Fahleson T, Kauczor J, Norman P, Coriani S
* Relative stability of the La and Lb excited states in adenine and guanine: Direct evidence from TD-DFT calculations of MCD spectra (293 views)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2014 Jun 5; 5(11): 1806-1811.
Impact Factor: 7.458
View Export to BibTeX Export to EndNote
Tabbì G, Giuffrida A, Bonomo RP
* 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 (336 views)
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2013 Nov; 128: 137-145.
Impact Factor: 3.274
View Export to BibTeX Export to EndNote
Diana D, Di Stasi R, De Rosa L, Isernia C, D'Andrea LD, Fattorusso R
* Structural investigation of the VEGF receptor interaction with a helical antagonist peptide (415 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2013 Apr; 19(4): 214-219.
Impact Factor: 1.862
View Export to BibTeX Export to EndNote
Calce E, Monfregola L, Sandomenico A, Saviano M, De Luca S
* Fluorescence study for selecting specific ligands toward HER2 receptor: An example of receptor fragment approach (483 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 1768-3254electronic), 2013 Mar; 61: 116-121.
Impact Factor: 3.432
View Export to BibTeX Export to EndNote
Merlino A, Fuchs MR, Pica A, Balsamo A, Dworkowski FSN, Pompidor G, Mazzarella L, Vergara A
* Selective X-ray-induced NO photodissociation in haemoglobin crystals: evidence from a Raman-assisted crystallographic study (339 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jan; 69: 137-140.
Impact Factor: 7.232
View Export to BibTeX Export to EndNote
Merlino A, Fuchs MR, Pica A, Balsamo A, Dworkowski FSN, Pompidor G, Mazzarella L, Vergara A
* Selective X-Ray Induced No-Photodissociation In Hemoglobin Crystals: Evidence From A Raman Assisted-Crystallographic Study (302 views)
Acta Cryst D 69, 2013; 1: 137-140.
Impact Factor: 0
View Export to BibTeX Export to EndNote
Improta R
* Photophysics and photochemistry of thymine deoxy-dinucleotide in water: A PCM/TD-DFT quantum mechanical study (305 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Dec 13; 116(49): 14261-14274.
Impact Factor: 3.607
View Export to BibTeX Export to EndNote
Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
* Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (362 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Impact Factor: 10.677
View Export to BibTeX Export to EndNote
Tarallo R, Accardo A, Falanga A, Guarnieri D, Vitiello G, Netti P, D'Errico G, Morelli G, Galdiero S
* Clickable functionalization of liposomes with the gH625 peptide from herpes simplex virus type i for intracellular drug delivery (459 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2011 Nov 4; 17(45): 12659-12668.
Impact Factor: 5.925
View Export to BibTeX Export to EndNote
Malgieri G, Zaccaro L, Leone M, Bucci E, Esposito S, Baglivo I, Del Gatto A, Russo L, Scandurra R, Pedone PV, Fattorusso R, Isernia C
* Zinc to Cadmium Replacement in the A. thaliana SUPERMAN Cys(2)His(2) Zinc Finger Induces Structural Rearrangements of Typical DNA Base Determinant Positions (445 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2011 Nov; 95(11): 801-810.
Impact Factor: 2.87
View Export to BibTeX Export to EndNote
Vitiello G, Falanga A, Galdiero M, Marsh D, Galdiero S, D'Errico G
* Lipid composition modulates the interaction of peptides deriving from herpes simplex virus type I glycoproteins B and H with biomembranes (687 views)
Bba-Gen Subjects (ISSN: 0005-2736, 0006-3002, 0925-4439), 2011 Oct; 1808(10): 2517-2526.
Impact Factor: 3.99
View Export to BibTeX Export to EndNote
Merlino A, Vergara A, Sica F, Aschi M, Amadei A, Di Nola A, Mazzarella L
* Free-Energy Profile for CO Binding to Separated Chains of Human and Trematomus newnesi Hemoglobin: Insights from Molecular Dynamics Simulations and Perturbed Matrix Method (301 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 May 27; 114(20): 7002-7008.
Impact Factor: 3.603
View Export to BibTeX Export to EndNote
Bonomo RP, Di Natale G, Rizzarelli E, Tabbì G, Vagliasindi LI
* Copper(II) complexes of prion protein PEG11-tetraoctarepeat fragment: spectroscopic and voltammetric studies (426 views)
Dalton T (ISSN: 1477-9226, 1477-7922, 1477-9234), 2009 Apr 14; (14): 2637-2646.
Impact Factor: 2.908
View Export to BibTeX Export to EndNote
Sinibaldi F, Fiorucci L, Patriarca A, Lauceri R, Ferri T, Coletta M, Santucci R
* Insights into cytochrome c-cardiolipin interaction. Role played by ionic strength (398 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2008 Jul 1; 47(26): 6928-6935.
Impact Factor: 3.379
View Export to BibTeX Export to EndNote
Santoro F, Lami A, Improta R, Bloino J, Barone V
* Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: The Qx band of porphyrin as a case study (474 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2008 Jun 14; 128(22): 17-17.
Impact Factor: 3.149
View Export to BibTeX Export to EndNote
Barone V, Improta R, Rega N
Quantum mechanical computations and spectroscopy: From small rigid molecules in the gas phase to large flexible molecules in solution (387 views)
Acc Chem Res (ISSN: 0001-4842, 0001-4842linking), 2008 May; 41(5): 605-616.
Impact Factor: 12.176
View Export to BibTeX Export to EndNote
Santoro F, Improta R, Lami A, Bloino J, Barone V
* Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution (284 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Feb 28; 126(8): 084509-084509.
Impact Factor: 3.044
View Export to BibTeX Export to EndNote
Ronga L, Langella E, Palladino P, Marasco D, Tizzano B, Saviano M, Pedone C, Improta R, Ruvo M
* Does Tetracycline Bind Helix 2 Of Prion? An Integrated Spectroscopical And Computational Study Of The Interaction Between The Antibiotic And Alpha Helix 2 Human Prion Protein Fragments (609 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Feb 15; 66(3): 707-715.
Impact Factor: 3.354
View Export to BibTeX Export to EndNote
Aloj L, Aurilio M, Rinaldi V, D'Ambrosio L, Tesauro D, Peitl PK, Maina T, Mansi R, Von Guggenberg E, Joosten L, Sosabowski JK, Breeman WA, De Blois E, Koelewijn S, Melis M, Waser B, Beetschen K, Reubi JC, De Jong M
* The EEE project (449 views)
Proc Int Cosm Ray Conf Icrc Universidad Nacional Autonoma De Mexico, 2007; 5(HEPART2): 977-980.
Impact Factor: 0
View Export to BibTeX Export to EndNote
Improta R, Barone V, Scalmani G, Frisch MJ
* A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution (332 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Sep 7; 125(5): N/D-N/D.
Impact Factor: 3.166
View Export to BibTeX Export to EndNote
Barone V, Newton MD, Improta R
* Dissociative electron transfer in donor - Peptide - Acceptor systems: Results for kinetic parameters from a density functional/polarizable continuum model (248 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jun 29; 110(25): 12632-12639.
Impact Factor: 4.115
View Export to BibTeX Export to EndNote
Bucci E, Vitagliano L, Barone R, Sorrentino S, D'Alessio G, Graziano G
* On the thermal stability of the two dimeric forms of ribonuclease (451 views)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2005 Jul 1; 116(2): 89-95.
Impact Factor: 1.925
View Export to BibTeX Export to EndNote
Pappalardo M, Milardi D, Grasso D, La Rosa C
* Phase behaviour of polymer-grafted DPPC membranes for drug delivery systems design (302 views)
Journal Of Thermal Analysis And Calorimetry (ISSN: 1388-6150), 2005 May; 80(2): 413-418.
Impact Factor: 1.425
View Export to BibTeX Export to EndNote
Picone D, Di Fiore A, Ercole C, Franzese M, Sica F, Tomaselli S, Mazzarella L
* The role of the hinge loop in domain swapping - The special case of bovine seminal ribonuclease (376 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 Apr 8; 280(14): 13771-13778.
Impact Factor: 5.854
View Export to BibTeX Export to EndNote
De Luca S, Sanseverino M, Zocchi I, Pedone C, Morelli G, Ragone R
* Receptor fragment approach to the binding between CCK8 peptide and cholecystokinin receptors: A fluorescence study on type B receptor fragment CCKB-R (352-379) (371 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005 Mar; 77(4): 205-211.
Impact Factor: 2.545
View Export to BibTeX Export to EndNote
Bonomo RP, Cucinotta V, Giuffrida A, Impellizzeri G, Magrì A, Pappalardo G, Rizzarelli E, Santoro AM, Tabbì G, Vagliasindi LI
* A re-investigation of copper coordination in the octa-repeats region of the prion protein (376 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2005 Jan 7; (1): 150-158.
Impact Factor: 3.003
View Export to BibTeX Export to EndNote
Arena G, Bonomo RP, Contino A, Sgarlata C, Spoto G, Tabbì G
* Influence of the coordination geometry on the physicochemical properties of a copper(II) complex with a tailor-made calixarene-based ligand bearing dipyridyl pendants. An ESR, UV-Vis and CV study (328 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2004 Oct 21; (20): 3205-3211.
Impact Factor: 2.926
View Export to BibTeX Export to EndNote
Improta R, Barone V
* Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions (409 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.
Impact Factor: 3.168
View Export to BibTeX Export to EndNote
Barone V, Formaggio F, Improta R, Polo F, Maran F
* Electron transfer to and conformational preferences of Aib oligo-peptides (394 views)
Proc Electrochem Soc, 2004; 10: 29-32.
Impact Factor: 0
View Export to BibTeX Export to EndNote
De Luca S, Ragone R, Bracco C, Digilio G, Aloj L, Tesauro D, Saviano M, Pedone C, Morelli G
* A cyclic CCK8 analogue selective for the cholecystokinin type A receptor: design, synthesis, NMR structure and binding measurements (472 views)
Chembiochem (ISSN: 1439-7633, 1439-4227, 1439-7633electronic), 2003 Nov 7; 4(11): 1176-1187.
Impact Factor: 3.992
View Export to BibTeX Export to EndNote
Improta R, Mele F, Crescenzi O, Benzi C, Barone V
* Understanding the role of stereoelectronic effects in determining collagen stability. 2. A quantum mechanical/molecular mechanical study of (Proline-Proline-Glycine)n polypeptides (340 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jul 3; 124(26): 7857-7865.
Impact Factor: 6.201
View Export to BibTeX Export to EndNote
Improta R, Kudin KN, Scuseria GE, Barone V
* Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions (241 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jan 9; 124(1): 113-120.
Impact Factor: 6.201
View Export to BibTeX Export to EndNote
Aloj L, Panico M, Caracó C, Zannetti A, Del Vecchio S, Di Nuzzo C, Arra C, Morelli G, Tesauro D, De Luca S, Pedone C, Salvatore M
* Radiolabeling approaches for cholecystokinin B receptor imaging (496 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002; 66(6): 370-380.
Impact Factor: 2.372
View Export to BibTeX Export to EndNote
Ragone R, De Luca S, Tesauro D, Pedone C, Morelli G
Fluorescence studies on the binding between 1-47 fragment of cholecystokinin receptor CCKA-R(1-47) and nonsulfated cholecystokinin octapeptide CCK8 (419 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 47-53.
Impact Factor: 2.405
View Export to BibTeX Export to EndNote
Gallo P, Rossi F, Saviano M, Pedone C, Colonna G, Ragone R
Specific interaction between bovine cyclophilin A and synthetic analogues of cyclolinopeptide (393 views)
Journal Of Biochemistry (ISSN: 0021-924x), 1998 Nov; 124(5): 880-885.
Impact Factor: 2.189
View Export to BibTeX Export to EndNote
Levchenko A, Mehta B, Spengler BA, Narkar A, Fonti R, Biedler JL, Tsuruo T, Larson SM
Measurement of P-glycoprotein expression in multidrug-resistant human neuroblastoma cell lines using self-competitive binding assay (283 views)
Anal Biochem (ISSN: 0003-2697, 1096-0309electronic, 0003-2697linking), 1996 May 1; 236(2): 338-343.
Impact Factor: 2.017
View Export to BibTeX Export to EndNote
* Binding studies of antimicrobial peptides to Escherichia coli cells (389 views)
Biochem Bioph Res Co (ISSN: 0006-291x), 2016 Sep 09; 478(1): 149-153.
Impact Factor: 2.466
View Export to BibTeX Export to EndNote
Farina B, De Paola I, Russo L, Capasso D, Liguoro A, Gatto AD, Saviano M, Pedone PV, Di Gaetano S, Malgieri G, Zaccaro L, Fattorusso R
* A Combined NMR and Computational Approach to Determine the RGDechi-hCit-alphav beta3 Integrin Recognition Mode in Isolated Cell Membranes (688 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Jan 11; 22(2): 681-693.
Impact Factor: 5.317
View Export to BibTeX Export to EndNote
Zhang Y, de La Harpe K, Beckstead AA, Improta R, Kohler B
* UV-Induced Proton Transfer between DNA Strands (495 views) (PDF 242 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2015 Jun 10; 137(22): 7059-7062.
Impact Factor: 13.038
View Export to BibTeX Export to EndNote
Calce E, Monfregola L, Saviano M, De Luca S
* HER2-mediated anticancer drug delivery: strategies to prepare targeting ligands highly specific for the receptor (574 views)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 May 20; 22(21): 2525-2538.
Impact Factor: 3.455
View Export to BibTeX Export to EndNote
GrassoG, Satriano C, Milardi D
* A neglected modulator of insulin-degrading enzyme activity and conformation: The pH (409 views)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2015; 203-204: 33-40.
Impact Factor: 2.363
View Export to BibTeX Export to EndNote
Mercurio FA, Di Natale C, Pirone L, Scognamiglio PL, Marasco D, Pedone EM, Saviano M, Leone M
* Peptide Fragments of Odin-Sam1: Conformational Analysis and Interaction Studies with EphA2-Sam (464 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2015; 16(11): 1629-1636.
Impact Factor: 2.85
View Export to BibTeX Export to EndNote
Picone D, Donnarumma F, Ferraro G, Russo Krauss I, Fagagnini A, Gotte G, Merlino A
* Platinated oligomers of bovine pancreatic ribonuclease: Structure and stability (414 views)
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2015; 146: 37-43.
Impact Factor: 3.205
View Export to BibTeX Export to EndNote
Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S
* TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids (370 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
Impact Factor: 2.883
View Export to BibTeX Export to EndNote
Balasco N, Pirone L, Smaldone G, Di Gaetano S, Esposito L, Pedone E, Vitagliano L
* Molecular recognition of Cullin3 by KCTDs: Insights from experimental and computational investigations (371 views)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Jul; 1844(7): 1289-1298.
Impact Factor: 4.882
View Export to BibTeX Export to EndNote
Improta R
* Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex (558 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jun 23; 20(26): 8106-8115.
Impact Factor: 5.731
View Export to BibTeX Export to EndNote
Santoro F, Improta R, Fahleson T, Kauczor J, Norman P, Coriani S
* Relative stability of the La and Lb excited states in adenine and guanine: Direct evidence from TD-DFT calculations of MCD spectra (293 views)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2014 Jun 5; 5(11): 1806-1811.
Impact Factor: 7.458
View Export to BibTeX Export to EndNote
Tabbì G, Giuffrida A, Bonomo RP
* 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 (336 views)
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2013 Nov; 128: 137-145.
Impact Factor: 3.274
View Export to BibTeX Export to EndNote
Diana D, Di Stasi R, De Rosa L, Isernia C, D'Andrea LD, Fattorusso R
* Structural investigation of the VEGF receptor interaction with a helical antagonist peptide (415 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2013 Apr; 19(4): 214-219.
Impact Factor: 1.862
View Export to BibTeX Export to EndNote
Calce E, Monfregola L, Sandomenico A, Saviano M, De Luca S
* Fluorescence study for selecting specific ligands toward HER2 receptor: An example of receptor fragment approach (483 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 1768-3254electronic), 2013 Mar; 61: 116-121.
Impact Factor: 3.432
View Export to BibTeX Export to EndNote
Merlino A, Fuchs MR, Pica A, Balsamo A, Dworkowski FSN, Pompidor G, Mazzarella L, Vergara A
* Selective X-ray-induced NO photodissociation in haemoglobin crystals: evidence from a Raman-assisted crystallographic study (339 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jan; 69: 137-140.
Impact Factor: 7.232
View Export to BibTeX Export to EndNote
Merlino A, Fuchs MR, Pica A, Balsamo A, Dworkowski FSN, Pompidor G, Mazzarella L, Vergara A
* Selective X-Ray Induced No-Photodissociation In Hemoglobin Crystals: Evidence From A Raman Assisted-Crystallographic Study (302 views)
Acta Cryst D 69, 2013; 1: 137-140.
Impact Factor: 0
View Export to BibTeX Export to EndNote
Improta R
* Photophysics and photochemistry of thymine deoxy-dinucleotide in water: A PCM/TD-DFT quantum mechanical study (305 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Dec 13; 116(49): 14261-14274.
Impact Factor: 3.607
View Export to BibTeX Export to EndNote
Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
* Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (362 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Impact Factor: 10.677
View Export to BibTeX Export to EndNote
Tarallo R, Accardo A, Falanga A, Guarnieri D, Vitiello G, Netti P, D'Errico G, Morelli G, Galdiero S
* Clickable functionalization of liposomes with the gH625 peptide from herpes simplex virus type i for intracellular drug delivery (459 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2011 Nov 4; 17(45): 12659-12668.
Impact Factor: 5.925
View Export to BibTeX Export to EndNote
Malgieri G, Zaccaro L, Leone M, Bucci E, Esposito S, Baglivo I, Del Gatto A, Russo L, Scandurra R, Pedone PV, Fattorusso R, Isernia C
* Zinc to Cadmium Replacement in the A. thaliana SUPERMAN Cys(2)His(2) Zinc Finger Induces Structural Rearrangements of Typical DNA Base Determinant Positions (445 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2011 Nov; 95(11): 801-810.
Impact Factor: 2.87
View Export to BibTeX Export to EndNote
Vitiello G, Falanga A, Galdiero M, Marsh D, Galdiero S, D'Errico G
* Lipid composition modulates the interaction of peptides deriving from herpes simplex virus type I glycoproteins B and H with biomembranes (687 views)
Bba-Gen Subjects (ISSN: 0005-2736, 0006-3002, 0925-4439), 2011 Oct; 1808(10): 2517-2526.
Impact Factor: 3.99
View Export to BibTeX Export to EndNote
Merlino A, Vergara A, Sica F, Aschi M, Amadei A, Di Nola A, Mazzarella L
* Free-Energy Profile for CO Binding to Separated Chains of Human and Trematomus newnesi Hemoglobin: Insights from Molecular Dynamics Simulations and Perturbed Matrix Method (301 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 May 27; 114(20): 7002-7008.
Impact Factor: 3.603
View Export to BibTeX Export to EndNote
Bonomo RP, Di Natale G, Rizzarelli E, Tabbì G, Vagliasindi LI
* Copper(II) complexes of prion protein PEG11-tetraoctarepeat fragment: spectroscopic and voltammetric studies (426 views)
Dalton T (ISSN: 1477-9226, 1477-7922, 1477-9234), 2009 Apr 14; (14): 2637-2646.
Impact Factor: 2.908
View Export to BibTeX Export to EndNote
Sinibaldi F, Fiorucci L, Patriarca A, Lauceri R, Ferri T, Coletta M, Santucci R
* Insights into cytochrome c-cardiolipin interaction. Role played by ionic strength (398 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2008 Jul 1; 47(26): 6928-6935.
Impact Factor: 3.379
View Export to BibTeX Export to EndNote
Santoro F, Lami A, Improta R, Bloino J, Barone V
* Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: The Qx band of porphyrin as a case study (474 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2008 Jun 14; 128(22): 17-17.
Impact Factor: 3.149
View Export to BibTeX Export to EndNote
Barone V, Improta R, Rega N
Quantum mechanical computations and spectroscopy: From small rigid molecules in the gas phase to large flexible molecules in solution (387 views)
Acc Chem Res (ISSN: 0001-4842, 0001-4842linking), 2008 May; 41(5): 605-616.
Impact Factor: 12.176
View Export to BibTeX Export to EndNote
Santoro F, Improta R, Lami A, Bloino J, Barone V
* Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution (284 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Feb 28; 126(8): 084509-084509.
Impact Factor: 3.044
View Export to BibTeX Export to EndNote
Ronga L, Langella E, Palladino P, Marasco D, Tizzano B, Saviano M, Pedone C, Improta R, Ruvo M
* Does Tetracycline Bind Helix 2 Of Prion? An Integrated Spectroscopical And Computational Study Of The Interaction Between The Antibiotic And Alpha Helix 2 Human Prion Protein Fragments (609 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Feb 15; 66(3): 707-715.
Impact Factor: 3.354
View Export to BibTeX Export to EndNote
Aloj L, Aurilio M, Rinaldi V, D'Ambrosio L, Tesauro D, Peitl PK, Maina T, Mansi R, Von Guggenberg E, Joosten L, Sosabowski JK, Breeman WA, De Blois E, Koelewijn S, Melis M, Waser B, Beetschen K, Reubi JC, De Jong M
* The EEE project (449 views)
Proc Int Cosm Ray Conf Icrc Universidad Nacional Autonoma De Mexico, 2007; 5(HEPART2): 977-980.
Impact Factor: 0
View Export to BibTeX Export to EndNote
Improta R, Barone V, Scalmani G, Frisch MJ
* A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution (332 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Sep 7; 125(5): N/D-N/D.
Impact Factor: 3.166
View Export to BibTeX Export to EndNote
Barone V, Newton MD, Improta R
* Dissociative electron transfer in donor - Peptide - Acceptor systems: Results for kinetic parameters from a density functional/polarizable continuum model (248 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jun 29; 110(25): 12632-12639.
Impact Factor: 4.115
View Export to BibTeX Export to EndNote
Bucci E, Vitagliano L, Barone R, Sorrentino S, D'Alessio G, Graziano G
* On the thermal stability of the two dimeric forms of ribonuclease (451 views)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2005 Jul 1; 116(2): 89-95.
Impact Factor: 1.925
View Export to BibTeX Export to EndNote
Pappalardo M, Milardi D, Grasso D, La Rosa C
* Phase behaviour of polymer-grafted DPPC membranes for drug delivery systems design (302 views)
Journal Of Thermal Analysis And Calorimetry (ISSN: 1388-6150), 2005 May; 80(2): 413-418.
Impact Factor: 1.425
View Export to BibTeX Export to EndNote
Picone D, Di Fiore A, Ercole C, Franzese M, Sica F, Tomaselli S, Mazzarella L
* The role of the hinge loop in domain swapping - The special case of bovine seminal ribonuclease (376 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 Apr 8; 280(14): 13771-13778.
Impact Factor: 5.854
View Export to BibTeX Export to EndNote
De Luca S, Sanseverino M, Zocchi I, Pedone C, Morelli G, Ragone R
* Receptor fragment approach to the binding between CCK8 peptide and cholecystokinin receptors: A fluorescence study on type B receptor fragment CCKB-R (352-379) (371 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005 Mar; 77(4): 205-211.
Impact Factor: 2.545
View Export to BibTeX Export to EndNote
Bonomo RP, Cucinotta V, Giuffrida A, Impellizzeri G, Magrì A, Pappalardo G, Rizzarelli E, Santoro AM, Tabbì G, Vagliasindi LI
* A re-investigation of copper coordination in the octa-repeats region of the prion protein (376 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2005 Jan 7; (1): 150-158.
Impact Factor: 3.003
View Export to BibTeX Export to EndNote
Arena G, Bonomo RP, Contino A, Sgarlata C, Spoto G, Tabbì G
* Influence of the coordination geometry on the physicochemical properties of a copper(II) complex with a tailor-made calixarene-based ligand bearing dipyridyl pendants. An ESR, UV-Vis and CV study (328 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2004 Oct 21; (20): 3205-3211.
Impact Factor: 2.926
View Export to BibTeX Export to EndNote
Improta R, Barone V
* Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions (409 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.
Impact Factor: 3.168
View Export to BibTeX Export to EndNote
Barone V, Formaggio F, Improta R, Polo F, Maran F
* Electron transfer to and conformational preferences of Aib oligo-peptides (394 views)
Proc Electrochem Soc, 2004; 10: 29-32.
Impact Factor: 0
View Export to BibTeX Export to EndNote
De Luca S, Ragone R, Bracco C, Digilio G, Aloj L, Tesauro D, Saviano M, Pedone C, Morelli G
* A cyclic CCK8 analogue selective for the cholecystokinin type A receptor: design, synthesis, NMR structure and binding measurements (472 views)
Chembiochem (ISSN: 1439-7633, 1439-4227, 1439-7633electronic), 2003 Nov 7; 4(11): 1176-1187.
Impact Factor: 3.992
View Export to BibTeX Export to EndNote
Improta R, Mele F, Crescenzi O, Benzi C, Barone V
* Understanding the role of stereoelectronic effects in determining collagen stability. 2. A quantum mechanical/molecular mechanical study of (Proline-Proline-Glycine)n polypeptides (340 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jul 3; 124(26): 7857-7865.
Impact Factor: 6.201
View Export to BibTeX Export to EndNote
Improta R, Kudin KN, Scuseria GE, Barone V
* Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions (241 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jan 9; 124(1): 113-120.
Impact Factor: 6.201
View Export to BibTeX Export to EndNote
Aloj L, Panico M, Caracó C, Zannetti A, Del Vecchio S, Di Nuzzo C, Arra C, Morelli G, Tesauro D, De Luca S, Pedone C, Salvatore M
* Radiolabeling approaches for cholecystokinin B receptor imaging (496 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002; 66(6): 370-380.
Impact Factor: 2.372
View Export to BibTeX Export to EndNote
Ragone R, De Luca S, Tesauro D, Pedone C, Morelli G
Fluorescence studies on the binding between 1-47 fragment of cholecystokinin receptor CCKA-R(1-47) and nonsulfated cholecystokinin octapeptide CCK8 (419 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 47-53.
Impact Factor: 2.405
View Export to BibTeX Export to EndNote
Gallo P, Rossi F, Saviano M, Pedone C, Colonna G, Ragone R
Specific interaction between bovine cyclophilin A and synthetic analogues of cyclolinopeptide (393 views)
Journal Of Biochemistry (ISSN: 0021-924x), 1998 Nov; 124(5): 880-885.
Impact Factor: 2.189
View Export to BibTeX Export to EndNote
Levchenko A, Mehta B, Spengler BA, Narkar A, Fonti R, Biedler JL, Tsuruo T, Larson SM
Measurement of P-glycoprotein expression in multidrug-resistant human neuroblastoma cell lines using self-competitive binding assay (283 views)
Anal Biochem (ISSN: 0003-2697, 1096-0309electronic, 0003-2697linking), 1996 May 1; 236(2): 338-343.
Impact Factor: 2.017
View Export to BibTeX Export to EndNote
46 Records (43 excluding Abstracts).
Total impact factor: 181.634 (172.275 excluding Abstracts).
Total 5 year impact factor: 201.218 (191.912 excluding Abstracts).
Total impact factor: 181.634 (172.275 excluding Abstracts).
Total 5 year impact factor: 201.218 (191.912 excluding Abstracts).
283 views. Last view on Saturday 27 May 2023, 13:55:55
ibb.cnr.it
