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Internet Electronic Journal of Molecular Design - IEJMD, ISSN 1538-6414, CODEN IEJMAT
| ABSTRACT - Internet Electron. J. Mol. Des. August 2005, Volume 4, Number 8, 545-555 |
On the Inclusion Ability of a Fluorinated Fluorescent Indolizine β-Cyclodextrin
Sensor towards Volatile Organic Compounds
David Landy, Georgiana G. Surpateanu, Sophie Fourmentin, Philippe Blach, Patrick Decock, and Gheorghe Surpateanu
Internet Electron. J. Mol. Des. 2005, 4, 545-555
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Abstract:
A fluorine fluorescent indolizine β-cyclodextrin sensor has been
studied on an experimental and theoretical point of view for its
sensing ability towards benzene and toluene. The ability of the
sensor to behave as a fluorescent probe has been evaluated, as well
as the formation constant values (measured using a spectral
displacement method associated to a dedicated algorithmic
treatment). The sensor conformation has been investigated by
molecular modeling, and it seems that the open structures of the
sensor are the most probable one in aqueous medium. According to
the docking study realized for each guest, it appears that the open
conformations represent the more stable complexes. Moreover, the
experimental results are consistent with the computed
complexation energies.
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