Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case

Home Ricerca Sedi Chi siamo Organigramma Personale Contatti Didattica Documenti EN

Progetti in evidenza

Progetti

INCIPIT

(Link esterno)

(1069 visite)

(929 visite)

(474 visite)

(1085 visite)

(Link esterno)

(Link esterno)

(Link esterno)

(1228 visite)

(1006 visite)

(946 visite)

(1034 visite)

(Link esterno)

Collegamenti

▲Menu

Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case (92 visite)

Santoro F, Barone V, Improta R

J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic, 0192-8651linking), 2008 Apr 30; 29(6): 957-964.

Tipo di articolo: Journal Article, Comparative Study,

Impact factor: 3.39

Impact factor a 5 anni: 5.364

Parole chiave: Cytosine, Excited States, Nucleic Acids, Stacking, Time-Dependent Density Functional Theory, Charge Transfer, Cytosine Dimers, Stacked Nucleobases, Polymer, Article, Chemical Model, Chemical Structure, Chemistry, Comparative Study, Dimerization, Quantum Theory, Molecular,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-41549147727&partnerID=40&md5=23d21a3e3af53f7b66043cf8b5bb06c1

By using calculations rooted in the time dependent density functional theory (TD-DFT) we have investigated how the lowest energy excited states of a face-to-face π-stacked cytosine dimer vary with the intermonomer distance (R). The perfomances of different density functionals have been compared, focussing mainly on the lowest energy single excited state of the dimer (S 1)2. TD-PBEO, TD-LC-ωPBE, and TD-M05-2X provide a picture very similar to that obtained at the CASPT2 level by Merchan et al. (J Chem Phys 2006, 125, 231102), predicting that (S1)2 has a minimum for R ∼ 3Å, with a binding energy of ∼0.5 eV, whereas TD-B3LYP, TD-CAM-B3LYP, and TD-PBE understimate the binding energy. However, independently of the functional employed, no low-energy spurious charge transfer transitions are predicted by TD-DFT calculations, also when a nonsymmetric dimer is investigated, providing encouraging indications for the use of TD-DFT for studying the excited state of π -stacked nucleobases. © 2007 Wiley Periodicals, Inc.

*** IBB - CNR ***

Istituto per i Processi Chimico-Fisici, CNR, Area della Ricerca del CNR, Via Moruzzi, 1, I-56124 Pisa, Italy

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

Istituto di Biostrutture e Bioimmagini, CNR, Via Mezzocannone 6, I-80134 Napoli, Italy

Hobza, P., Selzle, H.L., Schlag, E.W., (1994) Chem Rev, 94, p. 176

Meyer, E.A., Castellano, R.K., Diederich, F., (2003) Angew Chem Int Ed, 42, p. 1210

McGaughey, G.B., Gagne, M., Rappe, A.K., (1998) J Biol Chem, 273, p. 15458

Muller-Dethlefs, K., Hobza, P., (2000) Chem Rev, 100, p. 143

Kim, K.S., Tarakeshwar, P., Lee, J.Y., (2000) Chem Rev, 100, p. 4145

Hobza, P., Sponer, J., (1999) Chem Rev, 99, p. 3247

Yakovchuk, P., Protozanova, E., Frank-Kamenetskii, M.D., (2006) Nucleic Acids Res, 34, p. 564

Luo, R., Gilson, H.S., Potter, M.J., Gilson, M.K., (2001) Biophys J, 80, p. 140

(1996) J-Aggregates, , Kobayashi, T, Ed, World Scientific: Singapore

Crespo-Hernandez, C.E., Cohen, B., Kohler, B., (2005) Nature, 436, p. 1141

Tretiak, S., Mukamel, S., (2002) Chem Rev, 102, p. 3171

Akins, D.L., Ozcelik, S., Zhu, H.R., Guo, C., (1996) J Phys Chem, 100, p. 14390

Ohno, O., Kaizu, Y., Kobayashi, H., (1993) J Chem Phys, 99, p. 4128

Chen, P., Tomov, I.V., Dvovnikov, A.S., Nakashima, M., Roach, J.F., Alabram, D.M., Rentzepis, P.M., (1996) J Phys Chem, 100, p. 17507

Rebane, A. J Opt Soc Am B 2003, 20, 321(1995) Recent Advances in Density Functional Methods, 1. , Casida, M. E, Chong, D. P, Eds, World Scientific

Dreuw, A., Head-Gordon, M., (2005) Chem Rev, 105, p. 4009

Wanko, M., Garavelli, M., Bernardi, F., Niehaus, T.A., Frauenheim, T., Elstner, M., (2004) J Chem Phys, 120, p. 1674

Dreuw, A., Weisman, J.L., HeadGordon, M., (2003) J Chem Phys, 119, p. 2943

Tozer, D.J., Amos, R.D., Handy, N.C., Roos, B.O., Serrano-Andres, L., (1999) Mol Phys, 97, p. 859

Santoro, F., Barone, V., Improta, R., (2007) Proc Nat Acad Sci USA, 104, p. 9931

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

Improta, R., Barone, V., Santoro, F., (2007) Angew Chem Int Ed, 46, p. 405

Santoro, F., Improta, R., Lami, A., Bloino, J., Barone, V., (2007) J Chem Phys, 126, p. 084509

J Chem Phys 2007, 126, 169903 (erratum)

Santoro, F., Lami, A., Improta, R., Barone, V., (2007) J Chem Phys, 126, p. 184102

Rocha-Rinza, T., De Vico, L., Veryazov, V., Roos, B.O., (2006) Chem Phys Lett, 426, p. 268

Olaso-Gonzalez, G., Roca-Sanjuan, D., Serrano-Andrés, L., Merchán, M., (2006) J Chem Phys, 125, p. 231102

Boys, S.F., Bernardi, F., (1970) Mol Phys, 19, p. 553

Perdew, J.P., Burke, K., Ernzerhof, M., (1996) Phys Rev Lett, 77, p. 3865

Becke, A.D., (1993) J Chem Phys, 98, p. 5648

Adamo, C., Barone, V., (1999) J Chem Phys, 110, p. 6158

Enzerhof, M., Scuseria, G.E., (1999) J Chem Phys, 110, p. 5029

Vydrov, O.A., Scuseria, G.E., (2006) J Chem Phys, 125, p. 234109

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

Tawada, Y., Tsuneda, T., Yanagisawa, S., Yanai, T., Hirao, K., (2004) J Chem Phys, 120, p. 8425

Truhlar, D. G. J Chem Theory Comput 2006, 2, 364Adamo, C., Scuseria, G.E., Barone, V., (2000) J Chem Phys, 111, p. 2889

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

Frisch, M. J, Tracks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Vreven, T. Jr, Scalmani, G, Kudin, K. N, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Li, X, Hratchian, H. P, Peralta, J. E, Izmaylov, A. E

Heyd, J. J, Brothers, E, Staroverov, V, Zheng, G, Kobayashi, R, Normand, J, Burant, J. C, Millam, J. M, Klene, M, Knox, J. E, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, CiMerchan, M., Serrano-Andrés, L., (2003) J Am Chem Soc, 125, p. 8108

Kistler, K.A., Matsika, S., (2007) J Phys Chem A, 111, p. 2650

Ismail, N., Blancafort, L., Olivucci, M., Kohler, B., Robb, M., (2002) J Am Chem Soc, 124, p. 6818

Sobolewski, A.L., Domcke, W., (2004) Phys Chem Chem Phys, 6, p. 2763

Tomic, K., Jörg, T., Marian, C.M., (2005) J Phys Chem A, 109, p. 8410

Fuelscher, M.P., Roos, B.O., (1995) J Am Chem Soc, 117, p. 2089

Kamiya, M., Tsuneda, T., Hirao, K., (2002) J Chem Phys, 117, p. 6010

Hirao, K. J ChemPhys 1999, 110, 10664Wu, X., Vargas, M.C., Nayak, S., Lotrich, V., Scoles, G., (2001) J Chem Phys, 115, p. 8748

Weber, J. J Phys Chem A 1997, 101, 7818Zhang, Y

Yang, W. J Chem Phys 1997, 107, 7921Lacks, D.J., Gordon, R.G., (1993) Phys Rev A, 47, p. 4681

Levy, M., Perdew, J.P., (1993) Phys Rev B, 48, p. 11638

Lieb, E.H., Oxford, S., (1981) Int J Quantum Chem, 19, p. 427

Cai, Z.L., Crossley, M.J., Reimers, J.R., Kobayashi, R., Amos, R.D., (2006) J Phys Chem B, 110, p. 15624

Peach, M.J.G., Helgaker, T., Salek, P., Keal, T.W., Lutnaes, O.B., Tozer, D.J., Handy, N.C., (2006) Phys Chem Chem Phys, 8, p. 558

Zheng, J.J., Zhao, Y., Truhlar, D.G., (2007) J Phys Chem A, 111, p. 4632

Meyer, E. A., Castellano, R. K., Diederich, F., (2003) Angew Chem Int Ed, 42, p. 1210

McGaughey, G. B., Gagne, M., Rappe, A. K., (1998) J Biol Chem, 273, p. 15458

Kim, K. S., Tarakeshwar, P., Lee, J. Y., (2000) Chem Rev, 100, p. 4145

Luo, R., Gilson, H. S., Potter, M. J., Gilson, M. K., (2001) Biophys J, 80, p. 140

(1996) J-Aggregates, , Kobayashi, T, Ed, World Scientific: Singapore

Akins, D. L., Ozcelik, S., Zhu, H. R., Guo, C., (1996) J Phys Chem, 100, p. 14390

Chen, P., Tomov, I. V., Dvovnikov, A. S., Nakashima, M., Roach, J. F., Alabram, D. M., Rentzepis, P. M., (1996) J Phys Chem, 100, p. 17507

Tozer, D. J., Amos, R. D., Handy, N. C., Roos, B. O., Serrano-Andres, L., (1999) Mol Phys, 97, p. 859

Boys, S. F., Bernardi, F., (1970) Mol Phys, 19, p. 553

Perdew, J. P., Burke, K., Ernzerhof, M., (1996) Phys Rev Lett, 77, p. 3865

Becke, A. D., (1993) J Chem Phys, 98, p. 5648

Vydrov, O. A., Scuseria, G. E., (2006) J Chem Phys, 125, p. 234109

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

Kistler, K. A., Matsika, S., (2007) J Phys Chem A, 111, p. 2650

Sobolewski, A. L., Domcke, W., (2004) Phys Chem Chem Phys, 6, p. 2763

Tomic, K., J rg, T., Marian, C. M., (2005) J Phys Chem A, 109, p. 8410

Fuelscher, M. P., Roos, B. O., (1995) J Am Chem Soc, 117, p. 2089

Lieb, E. H., Oxford, S., (1981) Int J Quantum Chem, 19, p. 427

Cai, Z. L., Crossley, M. J., Reimers, J. R., Kobayashi, R., Amos, R. D., (2006) J Phys Chem B, 110, p. 15624

Peach, M. J. G., Helgaker, T., Salek, P., Keal, T. W., Lutnaes, O. B., Tozer, D. J., Handy, N. C., (2006) Phys Chem Chem Phys, 8, p. 558

Zheng, J. J., Zhao, Y., Truhlar, D. G., (2007) J Phys Chem A, 111, p. 4632

Nessun risultato.

Ricerca avanzata▼

Vai a fine pagina

Versione per copia e incolla facile Esporta tutto in BibTeX Esporta tutto in EndNote

* UV-induced damage to DNA: effect of cytosine methylation on pyrimidine dimerization (35 visite)
Martinez-fernandez L, Banyasz A, Esposito L, Markovitsi D, Improta R
Signal Transduction And Targeted Therapy, 2017 Jun; N/D: N/D-N/D.
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 (54 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

* Photoinduced long-lived charge transfer excited states in AT-DNA strands (45 visite)
Martinez-fernandez L, Zhang Y, De La Harpe K, Beckstead AA, Kohler B, Improta R
Phys Chem Chem Phys (ISSN: 1463-9084electronic, 1463-9076linking), 2016 Aug 21; 18(31): 21241-21245.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Effect of C5-Methylation of Cytosine on the UV-Induced Reactivity of Duplex DNA: Conformational and Electronic Factors (75 visite)
Banyasz A, Esposito L, Douki T, Perron M, Lepori C, Improta R, Markovitsi D
J Phys Chem B (ISSN: 1520-5207electronic, 1520-5207linking, 1520-6106), 2016 May 12; 120(18): 4232-4242.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (116 visite)
Improta R, Santoro F, Blancafort L
Chemical Reviews (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Excited States behavior of nucleobases in solution: insights from computational studies (85 visite)
Improta R, Barone V
Topics In Current Chemistry (ISSN: 0340-1022), 2015; 355: 329-357.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Incorporation of Naked Peptide Nucleic Acids into Liposomes Leads to Fast and Efficient Delivery (95 visite)
Avitabile C, Accardo A, Ringhieri P, Morelli G, Saviano M, Montagner G, Fabbri E, Gallerani E, Gambari R, Romanelli A
Bioconjugate Chemistry (ISSN: 1043-1802, 1520-4812), 2015; 26(8): 1533-1541.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Stabilization of mixed frenkel-charge transfer excitons extended across both strands of guanine-cytosine DNA duplexes (101 visite)
Huix-Rotllant M, Brazard J, Improta R, Burghardt I, Markovitsi D
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic), 2015; 6(12): 2247-2251.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids (107 visite)
Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Effect of C5-methylation of cytosine on the photoreactivity of DNA: A joint experimental and computational study of TCG trinucleotides (93 visite)
Esposito L, Banyasz A, Douki T, Perron M, Markovitsi D, Improta R
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2014 Sep 6; 136(31): 10838-10841.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Relative stability of the La and Lb excited states in adenine and guanine: Direct evidence from TD-DFT calculations of MCD spectra (91 visite)
Santoro F, Improta R, Fahleson T, Kauczor J, Norman P, Coriani S
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic), 2014 Jun 5; 5(11): 1806-1811.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Binding ability of a thymine-functionalized oligolysine towards nucleic acids (97 visite)
Roviello GN, Musumeci D, D'Alessandro C, Pedone C
Bioorg Med Chem (ISSN: 1464-3391, 0968-0896, 1464-3391electronic), 2014 Feb 1; 22(3): 997-1002.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Isothermal amplification methods for the detection of nucleic acids in microfluidic devices (121 visite)
Zanoli LM, Spoto G
Biosensors (ISSN: 2079-6374), 2013 Mar; 3(1): 18-43.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Role Of The Unstructured N-Terminal Domain Of The Human Apurinic/Apyrimidinic Endonuclease 1 (hape1) In The Modulation Of Its Interaction With Nucleic Acids And Nucleophosmin (npm1) (113 visite)
Poletto M, Vascotto C, Scognamiglio PL, Lirussi L, Marasco D, Tell G
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2013; 452(3): 545-557.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (101 visite)
Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Cation effect on the electronic excited states of guanine nanostructures studied by time-resolved fluorescence spectroscopy (98 visite)
Hua Y, Changenet-Barret P, Improta R, Vaya I, Gustavsson T, Kotlyar AB, Zikich D, Sket P, Plavec J, Markovitsi D
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Targeting pre-miRNA by peptide nucleic acids: a new strategy to interfere in the miRNA maturation (110 visite)
Avitabile C, Saviano M, D'Andrea LD, Bianchi N, Fabbri E, Brognara E, Gambari R, Romanelli A
Artif Dna Pna Xnaartificial Dna Pna & Xna (ISSN: 1949-9096, 1949-0968, 1949-095x), 2012 Apr; 3(2): 88-96.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (69 visite)
Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Nucleobase-containing peptides: a spectroscopic study of their properties and nucleic acids recognition ability (94 visite)
Roviello GN, Musumeci D, Bucci EM, Pedone C
Eur Biophys J (ISSN: 0175-7571, 1432-1017), 2011 Sep; 40: N/D-N/D.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* The Interplay between ππ*/nπ* excited states in gas-phase thymine: A quantum dynamical study (69 visite)
Picconi D, Barone V, Lami A, Santoro F, Improta R
Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-7641electronic), 2011 Jul 11; 12(10): 1957-1968.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Synthesis of a l-lysine-based alternate alpha, epsilon-peptide: A novel linear polycation with nucleic acids-binding ability (107 visite)
Moccia M, Roviello GN, Bucci EM, Pedone C, Saviano M
Int J Pharm International Journal Of Pharmaceutics (ISSN: 0378-5173, 1873-3476), 2010 Sep 15; 397(1-2): 179-183.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Synthesis, Characterization And Hybridization Studies Of An Alternate Nucleo-Epsilon/Gamma-Peptide: Complexes Formation With Natural Nucleic Acids (90 visite)
Roviello GN, Musumeci D, Pedone C, Bucci EM
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2010 Jan; 38(1): 103-111.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Vibronic model for the quantum dynamical study of the competition between bright and charge-transfer excited states in single-strand polynucleotides: the adenine dimer case (72 visite)
Improta R, Santoro F, Barone V, Lami A
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking), 2009 Dec 31; 113(52): 15346-15354.
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 (86 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

* The Excited States Decay Of The A-T Dna: A Pcm/Td-Dft Study In Aqueous Solution Of The (9-Methyl-Adenine) 2 (1-Methyl-Thymine) 2 Stacked Tetramer (76 visite)
Santoro F, Barone V, Improta R
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(42): 15232-15245.
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 (83 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

* Surface plasmon-based optical detection of DNA peptide nucleic acids (101 visite)
Zanoli L, Dagata R, Spoto G
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 165-174.
Dettagli    Esporta in BibTeX    Esporta in EndNote

The Excited States Of Pi-Stacked 9-Methyl Adenine Oligomers: A Td-Dft Study In Aqueous Solution (71 visite)
Improta R
Physical Chemistry Chemical Physics, 2008; 10: 2656-2664.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Dabpna: Design, Synthesis And Nucleic Acids Binding Studies (82 visite)
Roviello GN, Musumeci D, Moccia M, Castiglione M, Sapio R, Valente M, Bucci EM, Perretta G, Pedone C
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(10-12): 1307-1310.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations (63 visite)
Santoro F, Barone V, Improta R
Proc Natl Acad Sci U S A (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007; 104(24): 9931-9936.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Towards the understanding of the excited state dynamics of nucleic acids: Solvent and stacking effect on the photophysical behavior of nucleobases (79 visite)
Santoro F, Gustavsson T, Lami S, Barone V, Improta R
Aip Conf Proc (ISSN: 0094-243x), 2007; 963(2): 631-634.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Carbonic anhydrase inhibitors: Stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II (127 visite)
Menchise V, De Simone G, Alterio V, Di Fiore A, Pedone C, Scozzafava A, Supuran CT
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2005 Sep 8; 48(18): 5721-5727.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Peptide nucleic acids (PNA)-DNA chimeras targeting transcription factors as a tool to modify gene expression (105 visite)
Borgatti M, Finotti A, Romanelli A, Saviano M, Bianchi N, Lampronti I, Lambertini E, Penolazzi L, Nastruzzi C, Mischiati C, Piva R, Pedone C, Gambari R
Curr Drug Targets (ISSN: 1389-4501), 2004 Nov; 5(8): 735-744.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Formulations for natural and peptide nucleic acids based on cationic polymeric submicron particles (83 visite)
Cortesi R, Mischiati C, Borgatti M, Breda L, Romanelli A, Saviano M, Pedone C, Gambari R, Nastruzzi C
The Aaps Journal (ISSN: 1522-1059, 1550-7416), 2004 Jan 20; 6(1): N/D-N/D.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Transcription factor decoy (TFD) activity of peptide nucleic acids (PNA)-DNA chimeras (79 visite)
Gambari R, Borgatti M, Romanelli A, Capasso D, Saviano M, Bianchi N, Lampronti I, Mischiati C, Pedone C
International Journal Of Molecular Medicine (ISSN: 1107-3756), 2003; 12(Supplement1): N/D-N/D.
Dettagli    Esporta in BibTeX    Esporta in EndNote

CYTOSINE-ARABINOSIDE INCREASES THE BINDING OF I-125 LABELED EPIDERMAL GROWTH-FACTOR AND I-125 TRANSFERRIN AND ENHANCES THE IN-VITRO TARGETING OF HUMAN TUMOR-CELLS WITH ANTI-(GROWTH FACTOR-RECEPTOR) MAB (89 visite)
Caraglia M, Tagliaferri P, Correale P, Genua G, Pinto A, Del Vecchio S, Esposito G, Bianco AR
Cancer Immunology Immunotherapy (ISSN: 0340-7004), 1993 Sep; 37(3): 150-156.
Dettagli    Esporta in BibTeX    Esporta in EndNote

EPIDERMAL GROWTH-FACTOR (EGFR) AND TRANSFERRIN (TRFR) RECEPTOR UP-REGULATION IS INDUCED BY ARABINOSIDE CYTOSINE (ARA-C) ON HUMAN TUMOR-CELLS (80 visite)
Caraglia M, Correale P, Genua G, Pepe S, Del Vecchio S, Esposito G, Bianco AR, Tagliaferri P
(ISSN: 0361-090x), 1993; 17(2): 337-338.
Dettagli    Esporta in BibTeX    Esporta in EndNote

37 Records (34 escludendo Abstract e Conferenze).
Impact factor totale: 185.304 (179.287 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 193.565 (184.38 escludendo Abstract e Conferenze).

Interrogazione bibliografica effettuata: (([btitle] "Cytosine" OR [btitle] "Excited States" OR [btitle] "Nucleic Acids" OR [btitle] "Stacking" OR [btitle] "Time-Dependent Density Functional Theory") AND NOT [id] = 9140)

Versione per copia e incolla facile Esporta tutto in BibTeX Esporta tutto in EndNote

Esporta in BibTeX Esporta in EndNote

Ultima modifica di Marco Comerci in data Friday 26 May 2017, 11:20:11
92 visite. Ultima visita in data Sunday 16 September 2018, 11:04:44

Notizie