Titlebook: Radiation Induced Molecular Phenomena in Nucleic Acids; A Comprehensive Theo Manoj K. Shukla,Jerzy Leszczynski Book 2008 Springer Science+B

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Photostability and Photoreactivity in Biomolecules: Quantum Chemistry of Nucleic Acid Base Monomersafast energy relaxation in DNA/RNA base monomers, (ii) the intrinsic population mechanism of the lowest triplet state, and (iii) how bioexcimers can be considered as precursors of charge transfer and photoinduced reactivity. In order to describe these processes properly, the presence of conical inte

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Computational Modeling of Cytosine Photophysics and Photochemistry: From the Gas Phase to DNA,uanine Watson-Crick base-pair as examples. For cytosine (and other pyrimidine nucleobases), photostability is the result of an ethylenic type conical intersection associated with torsion around a C = C double bond, and the barrier height is solvent dependent. By contrast, in the cytosine-guanine Wat

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From the Primary Radiation Induced Radicals in DNA Constituents to Strand Breaks: Low Temperature Es of the DNA bases, nucleosides and nucleotides. The emphasis is on low-temperature ENDOR results. Typical experiments involve irradiations at or near helium temperatures in attempts to determine the primary radiation induced oxidation and reduction products. The use of the ENDOR technique allows on

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Exploring Photobiology and Biospectroscopy with the Sac-Ci (Symmetry-Adapted Cluster-Configuration -tuning mechanism of retinal proteins, (v) excitation and emission of green fluorescent proteins (GFP), and (vi) emission color-tuning mechanism of firefly luciferin. These successful applications show that the SAC-CI method is a useful and reliable tool for studying molecular photobiology and biospectroscopy

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Nonadiabatic Excited-State Dynamics of Aromatic Heterocycles: Toward the Time-Resolved Simulation oeactivation, typical in the fast component of the decay of nucleobases, is investigated in pyridone. In this case, the S.-state lifetime is 52 fs. The hot ground-state dynamics of pyrrole starting at the puckered conical intersection is shown to produce ring-opened structures consistent with the experimental results

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