Barrierless photoisomerisation of the "simplest cyanine": Joining computational and femtosecond optical spectroscopies to trace the full reaction path

Home Ricerca Sedi Chi siamo Organigramma Personale Contatti Didattica Documenti EN

Progetti in evidenza

Progetti

INCIPIT

(Link esterno)

(1007 visite)

(509 visite)

(407 visite)

(1018 visite)

(Link esterno)

(Link esterno)

(Link esterno)

(1153 visite)

(945 visite)

(892 visite)

(975 visite)

(Link esterno)

Collegamenti

▲Menu

Barrierless photoisomerisation of the "simplest cyanine": Joining computational and femtosecond optical spectroscopies to trace the full reaction path (70 visite)

Weigel A, Pfaffe M, Sajadi M, Mahrwald R, Improta R, Barone V, Polli D, Cerullo G, Ernsting NP, Santoro F

Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2012; 14(38): 13350-13364.

Tipo di articolo: Journal Article,

Impact factor: 3.829

Impact factor a 5 anni: 3.976

Parole chiave: Pseudoisocyanin, Quinoline Derivative, Absorption, Article, Chemistry, Diffusion, Isomerism, Quantum Theory, Raman Spectrometry, Thermodynamics, Spectrum Analysis, Time Factors,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84866433095&partnerID=40&md5=09a8bcc8eff38dae0b4cfbe03d8f333e

The photoisomerisation of 1,1′-diethyl-2,2′-pyridocyanine, regarded by Brooker as the simplest cyanine, is examined in methanol by time-resolved experiments and PCM/TD-CAM-B3LYP calculations. Femtosecond transient absorption, fluorescence upconversion, and stimulated Raman scattering, all with broadband coverage, provide a panoramic view of the photoreaction. On the computational side, evolving distributions on an S 1 minimum-energy path are obtained by solving the Smoluchowski equation for drift and diffusion of torsional motion. Absorption and fluorescence bandshapes are calculated and compared to the observations; near-quantitative agreement implies that the entire S1 path has been observed. Most importantly the global S1 minimum, i.e. the perpendicular "phantom state" P*, can be identified and characterized in this way. Internal conversion of P* (3.7 ps), assisted by solvent equilibration, leads to the hot ground state. Within 5 ps, vibrational bands of cis and trans isomers are recognized with the help of calculated Raman spectra. The differences between observed and simulated spectra are discussed. © 2012 the Owner Societies.

*** IBB - CNR ***

Department of Chemistry, Humboldt-Universität zu Berlin, Brook-Taylor-Strasse 2, 12489 Berlin, Germany

CNR-Consiglio Nazionale delle Ricerche, Istituto di Biostrutture e Bioimmagini (IBB-CNR), Via Mezzocannone 16, 80134 Napoli, Italy

Scuola Normale Superiore, piazza dei Cavalieri 7, 56126 Pisa, Italy

IFN-CNR, Dipartimento di Fisica, Politecnico di Milano, p.zza Leonardo da Vinci 32, 20133 Milano, Italy

Williams, C.H.G., (1856) Trans. - R. Soc. Edinburgh, 21, p. 37

Möbius, D., Scheibe Aggregates (1995) Adv. Mater., 7, p. 437

Mishra, A., Behera, R.K., Behera, P.K., Mishra, B.K., Behera, G.B., (2000) Chem. Rev., 100, p. 1973

Armitage, B.A., (2005) Top. Curr. Chem., 253, p. 55

Levitus, M., Ranjit, S., (2011) Q. Rev. Biophys., 44, p. 123

Zollinger, H., (2003) Color Chemistry, , Wiley-VCH, 3rd edn

Bagchi, B., Fleming, G.R., Oxtoby, D.W., (1983) J. Chem. Phys., 78, p. 7375

Åkesson, E., Bergström, H., Sundström, V., Gillbro, T., (1986) Chem. Phys. Lett., 126, p. 385

Olsen, S., McKenzie, R.H., (2009) J. Chem. Phys., 131, p. 234306

Sanchez-Galvez, A., Hunt, P., Robb, M.A., Olivucci, M., Vreven, T., Schlegel, H.B., (2000) J. Am. Chem. Soc., 122, p. 2911

Improta, R., Santoro, F., (2005) J. Chem. Theory Comput., 1, p. 215

Hunt, P.A., Robb, M.A., (2005) J. Am. Chem. Soc., 127, p. 5720

Dietzek, D., Brüggemann, B., Pascher, T., Yartsev, A., (2006) Phys. Rev. Lett., 97, p. 258301

Dietzek, D., Pascher, T., Yartsev, A., (2007) J. Phys. Chem. B, 111, p. 6034

Dietzek, D., Christensson, N., Pascher, T., Pullerits, T., Yartsev, A., (2007) J. Phys. Chem. B, 111, p. 5396

Dietzek, D., Tarnovsky, A.N., Yartsev, A., (2009) Chem. Phys., 357, p. 54

Yartsev, A., Alvarez, J.-L., Åberg, U., Sundström, V., (1995) Chem. Phys. Lett., 243, p. 281

Xu, Q.-H., Fleming, G.R., (2001) J. Phys. Chem. A, 105, p. 10187

Dietzek, B., Pascher, T., Yartsev, A., (2007) J. Phys. Chem. B, 111, p. 6034

Wei, Z., Nakamura, T., Takeuchi, S., Tahara, T., (2011) J. Am. Chem. Soc., 133, p. 8205

Vogt, G., Krampert, G., Niklaus, P., Nuernberger, P., Gerber, G., (2005) Phys. Rev. Lett., 94, p. 068305

Nuernberger, P., Vogt, G., Gerber, G., Improta, R., Santoro, F., (2006) J. Chem. Phys., 125, p. 044512

Vogt, G., Nuernberger, P., Gerber, G., Improta, R., Santoro, F., (2006) J. Chem. Phys., 125, p. 044513

Karunakaran, V., Pérez-Lustres, J.L., Zhao, L., Ernsting, N.P., Seitz, O., (2006) J. Am. Chem. Soc., 128, p. 2954

Hamer, F.M., Kelly, M.I., (1931) J. Chem. Soc., p. 777

Brooker, L.G.S., Keyes, G.H., (1935) J. Am. Chem. Soc., 57, p. 2488

Turner, J.D., (1955) Acta Crystallogr., 8, p. 119

Levinson, G.S., Simpson, W.T., Curtis, W., (1957) J. Am. Chem. Soc., 79, p. 4314

Elkomoss, S.G., (1961) J. Mol. Spectrosc., 7, p. 14

Friedrich, H.J., Gückel, W., Scheibe, G., (1962) Chem. Ber., 95, p. 1378

Daltrozzo, E., Hohlneicher, G., Scheibe, G., (1965) Ber. Bunsenges. Phys. Chem., 69, p. 190

Leubner, I., Dehler, J., Hohlneicher, G., (1967) Ber. Bunsenges. Phys. Chem., 71, p. 560

Scheibe, G., Daltrozzo, E., Wörz, O., Heiss, J., (1969) Zeitschrift für Physikalische Chemie, 64, p. 97

Dynes, P.J., Chapman, G.S., Kebede, E., Schneider, F.W., (1972) J. Am. Chem. Soc., 94, p. 6356

Leubner, I.H., (1973) J. Org. Chem., 38, p. 1098

Leubner, I.H., (1974) Org. Magn. Reson., 6, p. 253

Dobryakov, A.L., Kovalenko, S.A., Weigel, A., Pérez-Lustres, J.L., Lange, J., Müller, A., Ernsting, N.P., (2010) Rev. Sci. Instrum., 81, p. 113106

Schanz, R., Kovalenko, S.A., Kharlanov, V., Ernsting, N.P., (2001) Appl. Phys. Lett., 79, p. 566

Zhao, L., Pérez Lustres, J.L., Farztdinov, V., Ernsting, N.P., (2005) Phys. Chem. Chem. Phys., 7, p. 1716

Zhang, X.-X., Würth, C., Zhao, L., Resch-Genger, U., Ernsting, N.P., Sajadi, M., (2011) Rev. Sci. Instrum., 82, p. 063108

Kovalenko, S.A., Dobryakov, A.L., Ernsting, N.P., (2011) Rev. Sci. Instrum., 82, p. 063102

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

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

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

Manzoni, C., Polli, D., Cerullo, G., (2006) Rev. Sci. Instrum., 77, p. 023103

Polli, D., Luer, L., Cerullo, G., (2007) Rev. Sci. Instrum., 78, p. 103108

Weigel, A., Ernsting, N.P., (2010) J. Phys. Chem. B, 114, p. 7879

Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Fox, D.J., (2009) Gaussian 09, , Revision A.1, Gaussian, Inc., Wallingford CT

Fabian, J., (2010) Dyes Pigm., 84, p. 36

Jacquemin, D., Wathelet, V., Perpéte, E.A., Adamo, C., (2009) J. Chem. Theor. Comput., 5, p. 2420

Jacquemin, D., Zhao, Y., Valero, R., Adamo, C., Ciofini, I., Truhlar, D.G., (2012) J. Chem. Theory Comput., 8, p. 1255

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

Improta, R., Frisch, M.J., Scalmani, G., Barone, V., (2007) J. Chem. Phys., 127, p. 74504

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

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

Santoro, F., Barone, V., (2010) Int. J. Quantum Chem., 110, p. 476

Santoro, F., Cappelli, C., Barone, V., (2011) J. Chem. Theory Comput., 7, p. 1824

Santoro, F., (2008) FCclasses: A Fortran 77 Code, , http://village.pi.iccom.cnr.it, last accessed 13 July 2012

Barone, V., Bloino, J., Biczysko, M., Santoro, F., (2009) J. Chem. Theory Comput., 5, p. 540

Heller, J.E., Sundber, R., Tannor, D., (1982) J. Phys. Chem., 86, p. 1822

Weigel, A., Dobryakov, A., Klaumünzer, B., Sajadi, M., Saalfrank, P., Ernsting, N.P., (2011) J. Phys. Chem. B, 115, p. 3656

Biczysko, M., Bloino, J., Santoro, F., Barone, V., (2011) Computational Strategies for Spectroscopy: From Small Molecules to Nanosystems, pp. 361-446. , ed. V. Barone, Wiley, Chichester, UK

Van Der Meulen, P., Jonkman, A., Glasbeek, M., (1998) J. Phys. Chem. A, 102, p. 1906

Braun, D., Nordio, P.L., Polimeno, A., Saielli, G., (1996) Chem. Phys., 208, p. 127

Risken, H., (1989) The Fokker-Planck Equation, , Springer Verlag, Berlin, 2nd edn

Saltiel, J., (1967) J. Am. Chem. Soc., 89, p. 1036

Williams, C. H. G., (1856) Trans. - R. Soc. Edinburgh, 21, p. 37

M bius, D., Scheibe Aggregates (1995) Adv. Mater., 7, p. 437

Armitage, B. A., (2005) Top. Curr. Chem., 253, p. 55

kesson, E., Bergstr m, H., Sundstr m, V., Gillbro, T., (1986) Chem. Phys. Lett., 126, p. 385

Hunt, P. A., Robb, M. A., (2005) J. Am. Chem. Soc., 127, p. 5720

Dietzek, D., Br ggemann, B., Pascher, T., Yartsev, A., (2006) Phys. Rev. Lett., 97, p. 258301

Xu, Q. -H., Fleming, G. R., (2001) J. Phys. Chem. A, 105, p. 10187

Karunakaran, V., P rez-Lustres, J. L., Zhao, L., Ernsting, N. P., Seitz, O., (2006) J. Am. Chem. Soc., 128, p. 2954

Hamer, F. M., Kelly, M. I., (1931) J. Chem. Soc., p. 777

Brooker, L. G. S., Keyes, G. H., (1935) J. Am. Chem. Soc., 57, p. 2488

Turner, J. D., (1955) Acta Crystallogr., 8, p. 119

Levinson, G. S., Simpson, W. T., Curtis, W., (1957) J. Am. Chem. Soc., 79, p. 4314

Elkomoss, S. G., (1961) J. Mol. Spectrosc., 7, p. 14

Friedrich, H. J., G ckel, W., Scheibe, G., (1962) Chem. Ber., 95, p. 1378

Dynes, P. J., Chapman, G. S., Kebede, E., Schneider, F. W., (1972) J. Am. Chem. Soc., 94, p. 6356

Leubner, I. H., (1973) J. Org. Chem., 38, p. 1098

Dobryakov, A. L., Kovalenko, S. A., Weigel, A., P rez-Lustres, J. L., Lange, J., M ller, A., Ernsting, N. P., (2010) Rev. Sci. Instrum., 81, p. 113106

Zhao, L., P rez Lustres, J. L., Farztdinov, V., Ernsting, N. P., (2005) Phys. Chem. Chem. Phys., 7, p. 1716

Zhang, X. -X., W rth, C., Zhao, L., Resch-Genger, U., Ernsting, N. P., Sajadi, M., (2011) Rev. Sci. Instrum., 82, p. 063108

Kovalenko, S. A., Dobryakov, A. L., Ernsting, N. P., (2011) Rev. Sci. Instrum., 82, p. 063102

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

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

Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Scalmani, G., Fox, D. J., (2009) Gaussian 09, , Revision A. 1, Gaussian, Inc., Wallingford CT

Heller, J. E., Sundber, R., Tannor, D., (1982) J. Phys. Chem., 86, p. 1822

Nessun risultato.

Chemistry of Lipid A: At the Heart of Innate Immunity (accesso riservato) (149 visite)

Chemistry of Peptidoglycan in Mycobacterium tuberculosis life style: an off-the-wall balance of synthesis and degradation (accesso riservato) (61 visite)

Diffusion volume (DV) measurement in endometrial and cervical cancer: A new MRI parameter in the evaluation of the tumor grading and the risk classification (accesso riservato) (116 visite)

Histogram-Based Characterization of Healthy and Ischemic Brain Tissues Using Multiparametric MR Imaging Including Apparent Diffusion Coefficient Maps and Relaxometry (dominio pubblico) (91 visite)

Inhibition of Aβ Amyloid Growth and Toxicity by Silybins: The Crucial Role of Stereochemistry (dominio pubblico) (54 visite)

Simple and mixed complexes of copper(II) with 8-hydroxyquinoline derivatives and amino acids: characterization in solution and potential biological implications (dominio pubblico) (15 visite)

Ricerca avanzata▼

Vai a fine pagina

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

* Adenine radicals generated in alternating AT duplexes by direct absorption of low-energy UV radiation (16 visite)
Banyasz A, Ketola T, Martinez-fernandez L, Improta R, Markovitsi D
Faraday Discuss (ISSN: 1359-6640print, 1359-6640linking), 2018 Jan 26; N/D: N/D-N/D.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Chemistry of Peptidoglycan in Mycobacterium tuberculosis life style: an off-the-wall balance of synthesis and degradation (103 visite) (PDF 61 visite)
Squeglia F, Ruggiero A, Berisio R
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018; 24: 2533-2546.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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

* Absorption of Low-Energy UV Radiation by Human Telomere G-Quadruplexes Generates Long-Lived Guanine Radical Cations (21 visite)
Banyasz A, Martinez-fernandez L, Balty C, Perron M, Douki T, Improta R, Markovitsi D
J Am Chem Soc (ISSN: 1520-5126electronic, 0002-7863linking), 2017 Aug 2; 139(30): 10561-10568.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Inhibition of Abeta Amyloid Growth and Toxicity by Silybins: The Crucial Role of Stereochemistry (50 visite) (PDF 54 visite)
Sciacca MFM, Romanucci V, Zarrelli A, Monaco I, Lolicato F, Spinella N, Galati C, Grasso G, D'Urso L, Romeo M, Diomede L, Salmona M, Bongiorno C, Di Fabio G, La Rosa C, Milardi D
Acs Chem Neurosci (ISSN: 1948-7193electronic, 1948-7193linking), 2017 Jun 09; N/D: N/D-N/D.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models (23 visite)
Martinez-fernandez L, Pepino AJ, Segarra-marti J, Banyasz A, Garavelli M, Improta R
J Chem Theory Comput (ISSN: 1549-9626electronic, 1549-9618linking), 2016 Sep 13; 12(9): 4430-4439.
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

* Diffusion volume (DV) measurement in endometrial and cervical cancer: A new MRI parameter in the evaluation of the tumor grading and the risk classification (464 visite) (PDF 116 visite)
Mainenti PP, Pizzuti LM, Segreto S, Comerci M, Fronzo SD, Romano F, Crisci V, Smaldone M, Laccetti E, Storto G, Alfano B, Maurea S, Salvatore M, Pace L
Eur J Radiol (ISSN: 0720-048x, 1872-7727electronic), 2016 Jan; 85(1): 113-124.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (89 visite)
Improta R, Santoro F, Blancafort L
Chemical Reviews (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Chemistry of lipid a: At the heart of innate immunity (136 visite) (PDF 149 visite)
Molinaro A, Holst O, Lorenzo FD, Callaghan M, Nurisso A, D'Errico G, Zamyatina A, Peri F, Berisio R, Jerala R, Jiménez-Barbero J, Silipo A, Martín-Santamarí S
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2015 Jan 7; 21(2): 500-519.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches (74 visite)
Petrone A, Cerezo J, Ferrer FJA, Donati G, Improta R, Rega N, Santoro F
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5426-5438.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Soluble sugar-based quinoline derivatives as new antioxidant modulators of metal-induced amyloid aggregation (97 visite)
Oliveri V, Grasso GI, Bellia F, Attanasio F, Viale M, Vecchio G
Inorg Chem (ISSN: 0020-1669, 1520-510x, 1520-510xelectronic), 2015; 54(6): 2591-2602.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* The chemistry of carnosine derivatives (35 visite)
Bellia F, Rizzarelli E, Vecchio G
Food And Nutritional Components In Focus (ISSN: 2045-1695), 2015; 2015-January(8): 61-83.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* A virulence factor encoded by a polydnavirus confers tolerance to transgenic tobacco plants against lepidopteran larvae, by impairing nutrient absorption (95 visite)
Di Lelio I, Caccia S, Coppola M, Buonanno M, Di Prisco G, Varricchio P, Franzetti E, Corrado G, Monti SM, Rao R, Casartelli M, Pennacchio F
Plos One (ISSN: 1932-6203, 1932-6203electronic), 2014 Dec 1; 9(12): N/D-N/D.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Quantum-classical calculation of the absorption and emission spectral shapes of oligothiophenes at low and room temperature by first-principle calculations (26 visite)
Improta R, Ferrer FJ, Stendardo E, Santoro F
Chemphyschem (ISSN: 1439-7641electronic, 1439-4235linking), 2014 Oct 20; 15(15): 3320-3333.
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 (128 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

* Supratentorial and infratentorial damage in spinocerebellar ataxia 2: a diffusion-weighted MRI study (93 visite)
Salvatore E, Tedeschi E, Mollica C, Vicidomini C, Varrone A, Coda ARD, Brunetti A, Salvatore M, De Michele G, Filla A, Pappata S
Mov Disord (ISSN: 1531-8257, 0885-3185), 2014 May; 29(6): 780-786.
Dettagli    Esporta in BibTeX    Esporta in EndNote

Mode-specific vibrational relaxation of photoexcited guanosine 5'-monophosphate and its acid form: a femtosecond broadband mid-IR transient absorption and theoretical study (28 visite)
Zhang Y, Improta R, Kohler B
Phys Chem Chem Phys (ISSN: 1463-9084electronic, 1463-9076linking), 2014 Jan 28; 16(4): 1487-1499.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Insights for an accurate comparison of computational data to experimental absorption and emission spectra: Beyond the vertical transition approximation (67 visite)
Avila Ferrer FJ, Cerezo J, Stendardo E, Improta R, Santoro F
J Chem Theory Comput (ISSN: 1549-9618, 1549-9626electronic), 2013 Apr; 9(4): 2072-2082.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Liposomes derivatized with tetrabranched neurotensin peptides via click chemistry reactions (69 visite)
Accardo A, Ringhieri P, Tesauro D, Morelli G
New Journal Of Chemistry (ISSN: 1144-0546), 2013; 37(11): 3528-3534.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Photophysics and photochemistry of thymine deoxy-dinucleotide in water: A PCM/TD-DFT quantum mechanical study (77 visite)
Improta R
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Dec 13; 116(49): 14261-14274.
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 (78 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

* 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

* Progression of striatal and extrastriatal degeneration in multiple system atrophy: a longitudinal diffusion-weighted MR study (91 visite)
Pellecchia MT, Barone P, Vicidomini C, Mollica C, Salvatore E, Ianniciello M, Liuzzi R, Longo K, Picillo M, De Michele G, Filla A, Brunetti A, Salvatore M, Pappata S
Mov Disord (ISSN: 1531-8257, 0885-3185), 2011 Jun; 26(7): 1303-1309.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* UV-Visible Absorption and Emission Energies in Condensed Phase by PCM/TD-DFT Methods (53 visite)
Improta R
Comput Strateg For Spectrosc (ISSN: 9780-4704), 2011; N/D: 37-75.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Development of an efficient and low-cost protocol for the manual PNA synthesis by Fmoc chemistry (86 visite)
Avitabile C, Moggio L, D'Andrea LD, Pedone C, Romanelli A
Tetrahedron Letters (ISSN: 0040-4039), 2010 Jul 21; 51(29): 3716-3718.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Nobel prize in chemistry 2009: When biology turns into chemistry (42 visite)
Berisio R, Baram D, Keinan E
Isr J Chem (ISSN: 0021-2148), 2010 Jun; 50(1): 24-26.
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

* Diffusion-weighted imaging in multiple system atrophy: a comparison between clinical subtypes (124 visite)
Pellecchia MT, Barone PB, Mollica C, Salvatore E, Ianniciello M, Longo K, Varrone A, Vicidomini C, Picillo M, De Michele G, Filla A, Salvatore M, Pappata S
Mov Disord (ISSN: 1531-8257, 0885-3185), 2009 Apr 15; 24(5): 689-696.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Phase behavior and crystallogenesis under counter-diffusion conditions of the collagen-model peptide (Pro-Pro-Gly)10 (65 visite)
Vergara A, Castagnolo D, Carotenuto L, Vitagliano L, Berisio R, Sorrentino G, Gonzalez-ramirez L, Garcia-ruiz J, Zagari A
J Cryst Growth (ISSN: 0022-0248), 2009 Jan 1; 311(2): 304-309.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations (60 visite)
Karunakaran V, Kleinermanns K, Improta R, Kovalenko SA
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.
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

* Absorption flattening as one cause of distortion of circular dichroism spectra of Δ-RuPhen3·H2TPPS complex (85 visite)
Castiglioni E, Abbate S, Longhi G, Gangemi R, Lauceri R, Purrello R
Chirality (ISSN: 0899-0042), 2007 Sep; 19(8): 642-646.
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

* Spinocerebellar ataxia 2: A brain diffusion weighted MRI study (50 visite)
Salvatore E, Mollica C, Ianniciello M, Varrone A, Sansone V, Salvatore M, De Michele G, Filla A, Pappata S
Neurology (ISSN: 0028-3878, 1526-632x), 2007 Mar 20; 68(12): N/D-N/D.
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

* 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

* Longitudinal diffusion changes in cerebral hemispheres after MCA infarcts (64 visite)
Buffon F, Molko N, Hervé D, Porcher R, Denghien I, Pappata S, Le Bihan D, Bousser MG, Chabriat H
J Cereb Blood Flow Metab (ISSN: 0271-678x, 0271-678xlinking), 2005 May; 25(5): 641-650.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Longitudinal thalamic diffusion changes after middle cerebral artery infarcts (54 visite)
Hervé D, Molko N, Pappata S, Buffon F, LeBihan D, Bousser MG, Chabriat H
J Neurol Neurosurg Psychiatry (ISSN: 0022-3050), 2005 Feb; 76(2): 200-205.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Biohasicc Changes Of Diffusion In The Ipsilateral Yhalamus After Middle Cerebral Artery Infarcts (47 visite)
Herv D, Molko N, Pappata S, Buffon F, Lebihan D, Bousser, Chabriat H
Journal Of Neurology Neurosurgery And Psychiatry, 2005; 76: 200-205.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Distinct diffusion in macromolecule-solvent mixtures (71 visite)
Vergara A
Macromol Theory Simul (ISSN: 1022-1344), 2005; 14(1): 21-25.
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

* Monitoring disease progression in CADASIL with diffusion magnetic resonance imaging: A study with whole brain histogram analysis (72 visite)
Molko N, Pappata S, Mangin JF, Poupon F, Lebihan D, Bousser MG, Chabriat H
Stroke (ISSN: 0039-2499), 2002 Dec; 33(12): 2902-2908.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Diffusion tensor imaging study of subcortical gray matter in CADASIL (69 visite)
Molko N, Pappata S, Mangin JF, Poupon C, Vahedi K, Jobert A, LeBihan D, Bousser MG, Chabriat H
Stroke (ISSN: 0039-2499), 2001 Sep; 32(9): 2049-2054.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Diffusion tensor imaging: Concepts and applications (127 visite)
Le Bihan D, Mangin JF, Poupon C, Clark CA, Pappata S, Molko N, Chabriat H
Journal Of Magnetic Resonance Imaging (ISSN: 1053-1807), 2001 Apr; 13(4): 534-546.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Comparison of control of Listeria by nitric oxide redox chemistry from murine macrophages and no donors: Insights into listeriocidal activity of oxidative and nitrosative stress (74 visite)
Ogawa R, Pacelli R, Espey MG, Miranda KM, Friedman N, Kim SM, Cox G, Mitchell JB, Wink DA, Russo A
Free Radic Biol Med Free Radical Biology And Medicine (ISSN: 0891-5849, 0891-5849linking), 2001 Feb 1; 30(3): 268-276.
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

48 Records (44 escludendo Abstract e Conferenze).
Impact factor totale: 237.892 (223.335 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 252.897 (237.144 escludendo Abstract e Conferenze).

Interrogazione bibliografica effettuata: (([btitle] "Pseudoisocyanin" OR [btitle] "Quinoline Derivative" OR [btitle] "Absorption" OR [btitle] "Chemistry" OR [btitle] "Diffusion") AND NOT [id] = 10624)

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 Thursday 19 March 2015, 16:43:14
70 visite. Ultima visita in data Sunday 06 May 2018, 17:57:15

Notizie