| Edizione | [1st ed. 2015.] |
| Pubbl/distr/stampa |
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015
|
| Descrizione fisica |
1 online resource (VII, 362 p. 118 illus., 84 illus. in color.)
|
| Disciplina |
574.87328
|
| Collana |
Topics in Current Chemistry
|
| Soggetto topico |
Biotechnology
|
| ISBN |
3-319-13371-3
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| Formato |
Materiale a stampa  |
| Livello bibliografico |
Monografia |
| Lingua di pubblicazione |
eng
|
| Nota di contenuto |
Intro -- Preface -- Contents -- Photoinduced Processes in Nucleic Acids -- 1 Introduction -- 2 Historical Background -- 3 Absorption and Emission -- 4 Photodynamics -- 4.1 Monomers -- 4.1.1 Purine Bases -- 4.1.2 Pyrimidine Bases -- 4.1.3 Modified Bases -- Thio-analogues -- Aza-analogues -- 4.2 Base Pairs -- 4.3 Stacking, DNA Fragments -- 4.3.1 Photoinduced Pyrimidine Dimers -- 5 Open Problems and Debates in the Field -- 5.1 Deactivation of Adenine: Multiple Pictures -- 5.2 Cytosine: Tautomers, Triple Intersections, and Triplet States -- 5.3 Why Does Thymine Have the Longest Lifetime? -- 5.4 Dynamics Simulation Cacophony -- 5.5 UVA or UVB: Which Is Most Dangerous? -- 5.6 Does Ultrafast Deactivation Matter for Photostability? -- Conclusions -- References -- UV-Excitation from an Experimental Perspective: Frequency Resolved -- 1 Introduction -- 2 Vibronic Spectra -- 2.1 Spectroscopic Techniques -- 3 Isomers -- 4 Derivatives -- 5 Character of the Excited State -- 6 Tautomers -- 7 Intermolecular Effects: Clusters -- 8 Summary -- References -- Excitation of Nucleobases from a Computational Perspective I: Reaction Paths -- 1 Introduction -- 2 Computational Strategies in Photochemistry -- 2.1 Photochemical Reaction Paths -- 2.2 Quantum-Chemical Methods -- 3 Non-Adiabatic Photochemistry of Pyrimidines -- 3.1 Photochemical Reaction Paths for Thymine -- 3.2 Photochemical Reaction Paths for Cytosine -- 3.3 Photochemical Reaction Paths for Uracil -- 4 Non-Adiabatic Photochemistry of Purines -- 4.1 Photochemical Reaction Paths for Adenine -- 4.2 Photochemical Reaction Paths for Guanine -- 5 Final Remarks and Future Perspective -- References -- Excitation of Nucleobases from a Computational Perspective II: Dynamics -- 1 Introduction -- 2 Computational Approaches for Nuclear Dynamics -- 2.1 The Schrödinger Equation and the Born-Oppenheimer Approximation.
2.2 Quantum Dynamics -- 2.3 Multi-Configurational Time-Dependent Hartree -- 2.4 Molecular Dynamics -- 2.5 Ehrenfest Dynamics -- 2.6 Trajectory Surface Hopping -- 2.7 Full Multiple Spawning -- 3 Connection of the Dynamics Simulations to Experiment -- 3.1 Time Scale -- 3.2 System Size -- 3.3 Excitation Process -- 3.4 Quality of the Potential Energy Hypersurfaces -- 3.5 Representation -- 3.6 Probe Process -- 4 Photodynamics of Nucleobases -- 4.1 Adenine -- 4.1.1 Experimental Time Scales -- 4.1.2 Deactivation Mechanism -- 4.1.3 Final Discussion -- 4.2 Guanine -- 4.2.1 Experimental Observations -- 4.2.2 Deactivation Mechanism -- 4.2.3 Final Discussion -- 4.3 Cytosine -- 4.3.1 Experimental Observations -- 4.3.2 Deactivation Mechanism -- 4.3.3 Final Discussion -- 4.4 Thymine -- 4.4.1 Experimental Observations -- 4.4.2 Deactivation Mechanism -- 4.4.3 Final Discussion -- 4.5 Uracil -- 4.5.1 Experimental Observations -- 4.5.2 Deactivation Mechanism -- 4.5.3 Final Discussion -- 5 Conclusions and Outlook -- References -- Photoionization Spectroscopy of Nucleobases and Analogues in the Gas Phase Using Synchrotron Radiation as Excitation Light Sou... -- 1 Introduction -- 2 Experimental Methodologies to Measure Photoionization and Photoelectron Spectra of NABs -- 2.1 Earlier Photoelectron (PE) Spectroscopy Experiments -- 2.2 Electron Impact Ionization Measurements on NABs -- 2.3 Synchrotron Radiation (SR) as an Exciting Light Source -- 2.3.1 Vaporization Methods -- 2.3.2 Spectroscopic Methods -- Photoionization Mass Spectrometry (PIMS) -- Electron/Ion Coincidence Spectroscopy and Imaging Techniques -- 3 Theoretical Methods for the Analysis of Photoionization and Photoelectron Spectra -- 4 Key Results -- 4.1 NAB Analogues -- 4.1.1 3-Hydroxyisoquinoline -- 4.1.2 2-Pyridone -- 4.1.3 delta-Valerolactam -- 4.2 NABs Occurring in Biological DNA and RNA -- 4.2.1 Thymine.
4.2.2 Uracil -- 4.2.3 Adenine -- 4.2.4 Cytosine -- 4.2.5 Guanine -- 4.3 Complexes of NABs -- 5 Conclusions and Perspectives -- References -- Modified Nucleobases -- 1 Introduction -- 2 Fluorescent Nucleobase Analogues -- 3 Theoretical Approach for Studying Photoinitiated Processes -- 4 Why Natural Nucleobases Do Not Fluoresce -- 5 Pyrimidine Analogues -- 5.1 Adding Substituents to the Natural Pyrimidine Bases -- 5.2 Replacing the Amino or Oxo Substituents -- 5.3 Expanded Cytosine Analogues -- 6 Purine Analogues -- 6.1 Tautomers and/or Adding Substituents to Natural Purine Bases -- 6.2 Amino and Oxo Substituted Purines -- 6.2.1 Amino-Purines: 2-Aminopurine and 2,6-Diaminopurine -- 6.2.2 Oxo-Purines: Hypoxanthine and Xanthine -- 7 Sulfur and Aza Substituted Nucleobases -- 8 Effects of pi Stacking on the Photophysical Properties -- 9 Concluding Remarks -- References -- Photochemistry of Nucleic Acid Bases and Their Thio- and Aza-Analogues in Solution -- 1 Introduction -- 2 Nucleic Acid Bases -- 2.1 Steady-State Photophysics of the Nucleic Acid Monomers -- 2.2 Time-Resolved Photophysical Properties of the Nucleic Acid Monomers -- 2.2.1 Adenine and Guanine Monomers -- 2.2.2 Cytosine, Thymine, and Uracil Monomers -- 2.3 Vibrational Cooling Dynamics in the Ground State -- 2.4 The Role of the N-Glycosidic Group in the Rates of Internal Conversion and Vibrational Cooling -- 2.5 Role of the N-Glycosidic Group in the Population of the Triplet State -- 2.6 Summary -- 3 Thiobases -- 3.1 Steady-State and Time-Resolved Photochemistry of the 4-Thiouracil Derivatives -- 3.1.1 Singlet-State Dynamics -- 3.1.2 Triplet State Dynamics -- 3.1.3 Excited-State Deactivation Mechanism in 4-Thiouracil Derivatives -- 3.2 Steady-State and Time-Resolved Photochemistry of 2-Thio- and 2,4-Dithio-Pyrimidine Derivatives.
3.2.1 Excited-State Deactivation Mechanism in 2-Thiouracil Derivatives -- 3.3 Steady-State and Time-Resolved Photochemistry of 6-Thiopurine Derivatives -- 3.3.1 Excited-State Deactivation Mechanism in 6-Thiopurine Derivatives -- 3.4 Summary -- 4 Azabases -- 4.1 Steady-State and Time-Resolved Photochemistry of the Azabases -- 4.2 Excited-State Deactivation Mechanism in the Azabase Derivatives -- 4.3 Summary -- 5 Final Remarks and Future Perspective -- References -- Excited States Behavior of Nucleobases in Solution: Insights from Computational Studies -- 1 Introduction -- 2 Methodology -- 2.1 Dynamical Solvation Effects -- 2.2 Solvation Models -- 2.3 Coupling Electronic Methods to Solvation Model -- 3 The FC Region: Vertical Absorption Energies of Isolated Nucleobases -- 3.1 Uracil and Thymine -- 3.2 Cytosine -- 3.3 Adenine -- 3.4 Guanine -- 4 Excited State Decay Paths and Emission -- 4.1 Uracil and Thymine -- 4.2 Cytosine -- 4.3 Adenine -- 4.4 Guanine -- 5 Concluding Remarks -- References -- Index.
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| Record Nr. | UNINA-9910298624103321 |
Info
Photoinduced Phenomena in Nucleic Acids I : Nucleobases in the Gas Phase and in Solvents / / edited by Mario Barbatti, Antonio Carlos Borin, Susanne Ullrich