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Issue 27, 2011
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Thiazole orange (TO) as a light-switch probe: a combined quantum-mechanical and spectroscopic study

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Abstract

A Density Functional Theory (DFT) study of the absorbance and fluorescence emission characteristics of the cyanine thiazole orange (TO) in solution and when intercalated in DNA was carried out in combination with spectrophotometric and spectrofluorometric experiments under different conditions (temperature, concentration, solvent viscosity). T-jump relaxation kinetics of the TO monomer–dimer conversion enabled the thermodynamic parameters of this process to be evaluated. The overall data collected provided information on the features of the “light-switch” by the fluorescent TO and the comparison between experimental and calculated photo-physical properties allowed us to explain and rationalize both shifts and quenching/enhancing effects on fluorescence due to solvation, dimerisation and intercalation in the DNA.

Graphical abstract: Thiazole orange (TO) as a light-switch probe: a combined quantum-mechanical and spectroscopic study

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Publication details

The article was received on 18 Mar 2011, accepted on 16 May 2011 and first published on 09 Jun 2011


Article type: Paper
DOI: 10.1039/C1CP20812H
Citation: Phys. Chem. Chem. Phys., 2011,13, 12595-12602
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    Thiazole orange (TO) as a light-switch probe: a combined quantum-mechanical and spectroscopic study

    A. Biancardi, T. Biver, A. Marini, B. Mennucci and F. Secco, Phys. Chem. Chem. Phys., 2011, 13, 12595
    DOI: 10.1039/C1CP20812H

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