249 related articles for article (PubMed ID: 20438088)
1. Solvent effects on the valence UV-vis absorption spectra of topotecan anticancer drug in aqueous solution at room temperature: a nanoseconds time-scale TD-DFT/MD computational study.
Zazza C; Coletta A; Sanna N; Chillemi G; Mancini G; Desideri A
J Phys Chem B; 2010 May; 114(20):6770-8. PubMed ID: 20438088
[TBL] [Abstract][Full Text] [Related]
2. UV-vis spectra of the anticancer camptothecin family drugs in aqueous solution: specific spectroscopic signatures unraveled by a combined computational and experimental study.
Sanna N; Chillemi G; Gontrani L; Grandi A; Mancini G; Castelli S; Zagotto G; Zazza C; Barone V; Desideri A
J Phys Chem B; 2009 Apr; 113(16):5369-75. PubMed ID: 19334673
[TBL] [Abstract][Full Text] [Related]
3. New hints on the Ph-driven tautomeric equilibria of the topotecan anticancer drug in aqueous solutions from an integrated spectroscopic and quantum-mechanical approach.
Sanna N; Chillemi G; Grandi A; Castelli S; Desideri A; Barone V
J Am Chem Soc; 2005 Nov; 127(44):15429-36. PubMed ID: 16262406
[TBL] [Abstract][Full Text] [Related]
4. Structural spectroscopy and dynamics of inter- and intramolecular H-bonding interactions of topotecan, a potent anticancer drug, in organic solvents and in aqueous solution.
di Nunzio MR; Wang Y; Douhal A
J Phys Chem B; 2012 Jun; 116(25):7522-30. PubMed ID: 22662747
[TBL] [Abstract][Full Text] [Related]
5. Unraveling solvent effects on the electronic absorption spectra of TRITC fluorophore in solution: a theoretical TD-DFT/PCM study.
Pedone A; Barone V
Phys Chem Chem Phys; 2010 Mar; 12(11):2722-9. PubMed ID: 20200750
[TBL] [Abstract][Full Text] [Related]
6. QM/MM calculation of solvent effects on absorption spectra of guanine.
Parac M; Doerr M; Marian CM; Thiel W
J Comput Chem; 2010 Jan; 31(1):90-106. PubMed ID: 19412906
[TBL] [Abstract][Full Text] [Related]
7. Absorption and emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study.
Pedone A; Bloino J; Monti S; Prampolini G; Barone V
Phys Chem Chem Phys; 2010 Jan; 12(4):1000-6. PubMed ID: 20066385
[TBL] [Abstract][Full Text] [Related]
8. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
Nemykin VN; Hadt RG; Belosludov RV; Mizuseki H; Kawazoe Y
J Phys Chem A; 2007 Dec; 111(50):12901-13. PubMed ID: 18004829
[TBL] [Abstract][Full Text] [Related]
9. Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach.
Barone V; Bloino J; Monti S; Pedone A; Prampolini G
Phys Chem Chem Phys; 2011 Feb; 13(6):2160-6. PubMed ID: 21127788
[TBL] [Abstract][Full Text] [Related]
10. Photoabsorption spectra of a natural polyphenol compound for therapeutic applications: the protocatechuic acid in dilute water solution at room temperature.
Zazza C; Sanna N
Phys Chem Chem Phys; 2010 Apr; 12(15):3859-63. PubMed ID: 20358080
[TBL] [Abstract][Full Text] [Related]
11. Quantum chemical simulations of solvent influence on UV-vis spectra and orbital shapes of azoderivatives of diphenylpropane-1,3-dione.
Kuznik W; Kityk IV; Kopylovich MN; Mahmudov KT; Ozga K; Lakshminarayana G; Pombeiro AJ
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Apr; 78(4):1287-94. PubMed ID: 21257339
[TBL] [Abstract][Full Text] [Related]
12. Solvent effect on the absorption spectra of coumarin 120 in water: A combined quantum mechanical and molecular mechanical study.
Sakata T; Kawashima Y; Nakano H
J Chem Phys; 2011 Jan; 134(1):014501. PubMed ID: 21219001
[TBL] [Abstract][Full Text] [Related]
13. Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches.
Petrone A; Cerezo J; Ferrer FJ; Donati G; Improta R; Rega N; Santoro F
J Phys Chem A; 2015 May; 119(21):5426-38. PubMed ID: 25699575
[TBL] [Abstract][Full Text] [Related]
14. IR spectra of flavins in solution: DFT/MM description of redox effects.
Rieff B; Bauer S; Mathias G; Tavan P
J Phys Chem B; 2011 Mar; 115(9):2117-23. PubMed ID: 21309580
[TBL] [Abstract][Full Text] [Related]
15. Structural photodynamic behavior of topotecan, a potent anticancer drug, in aqueous solutions at different pHs.
di Nunzio MR; Wang Y; Douhal A
J Phys Chem B; 2012 Jul; 116(28):8182-90. PubMed ID: 22712701
[TBL] [Abstract][Full Text] [Related]
16. [Interaction of topotecan--a DNA topoisomerase inhibitor--with dual-stranded polydeoxyribonucleotides. I. Dimerization of topotecan in solution].
Strel'tsov SA; Grokhovskiĭ SL; Kudelina IA; Oleĭnikov VA; Zhuze AL
Mol Biol (Mosk); 2001; 35(3):432-41. PubMed ID: 11443925
[TBL] [Abstract][Full Text] [Related]
17. Ferric complexes of 3-hydroxy-4-pyridinones characterized by density functional theory and Raman and UV-vis spectroscopies.
Šebestík J; Safařík M; Bouř P
Inorg Chem; 2012 Apr; 51(8):4473-81. PubMed ID: 22468647
[TBL] [Abstract][Full Text] [Related]
18. UV-Vis spectroscopic study and DFT calculation on the solvent effect of trimethoprim in neat solvents and aqueous mixtures.
Almandoz MC; Sancho MI; Duchowicz PR; Blanco SE
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Aug; 129():52-60. PubMed ID: 24721283
[TBL] [Abstract][Full Text] [Related]
19. Ligand-to-diimine/metal-to-diimine charge-transfer excited states of [Re(NCS)(CO)3(alpha-diimine)] (alpha-diimine = 2,2'-bipyridine, di-iPr-N,N-1,4-diazabutadiene). A spectroscopic and computational study.
Blanco Rodríguez AM; Gabrielsson A; Motevalli M; Matousek P; Towrie M; Sebera J; Zális S; Vlcek A
J Phys Chem A; 2005 Jun; 109(23):5016-25. PubMed ID: 16833853
[TBL] [Abstract][Full Text] [Related]
20. Interpretation of synchrotron radiation circular dichroism spectra of anionic, cationic, and zwitterionic dialanine forms.
Sebek J; Gyurcsik B; Sebestík J; Kejík Z; Bednarova L; Bour P
J Phys Chem A; 2007 Apr; 111(14):2750-60. PubMed ID: 17388375
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
