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"Vibrational Analysis of Carbonyl Modes in Different Stages of Light-Induced Cyclopyrimidine Dimer Repair Reactions" M. Schmitz, P. Tavan, M. NonellaChem. Phys. Lett. 349, 342-348 (2001) Abstract: The formation of cyclopyrimidine dimers is a DNA defect, which is repaired by the enzyme photolyase in a light-induced reaction. Radical anions of the dimers have been suggested to occur as short-lived intermediates during repair. For their identification time-resolved FTIR spectroscopy will be a method of choice. To support and guide such spectroscopic studies we have calculated the vibrational spectra of various pyrimidine compounds using density functional methods. Our results suggest that the carbonyl vibrations of these molecules can serve as marker modes to identify and distinguish intermediates of the repair reaction BMO authors (in alphabetic order): Marco Nonella Matthias Schmitz Paul Tavan Assoziierte Projekte: Vibrational spectra of DNA bases DNA repair by Photolyase |