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Title: Femtosecond Stimulated Raman Spectroscopy of the Cyclobutane Thymine Dimer Repair Mechanism: A Computational Study

Journal Article · · Journal of the American Chemical Society
DOI:https://doi.org/10.1021/ja5063955· OSTI ID:1160169
 [1];  [2];  [1];  [1];  [1]
  1. Department of Chemistry, 1102 Natural Sciences II, University of California, Irvine, California 92697-2025, United States
  2. Max-Born-Institut für Nichtlineare Optik und Kurzzeitspektroskopie, Max-Born-Strasse 2A, 12489 Berlin, Germany

Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI ID:
1160169
Journal Information:
Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Vol. 136 Journal Issue: 42; ISSN 0002-7863
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 29 works
Citation information provided by
Web of Science

References (59)

Ultrafast Deactivation Channel for Thymine Dimerization journal September 2007
The Sugar Conformation Governs (6-4) Photoproduct Formation at the Dinucleotide Level journal January 2008
Electronic Excited States Responsible for Dimer Formation upon UV Absorption Directly by Thymine Strands: Joint Experimental and Theoretical Study journal August 2012
Density Functionals with Broad Applicability in Chemistry journal February 2008
A deoxyribozyme that harnesses light to repair thymine dimers in DNA journal December 2003
Kinetics of cyclobutane thymine dimer splitting by DNA photolyase directly monitored in the UV journal May 2011
Cis−Syn Thymidine Dimer Repair by DNA Photolyase in Real Time journal June 2003
How Fissors Works: Observing Vibrationally Adiabatic Conformational Change through Femtosecond Stimulated Raman Spectroscopy journal May 2013
Mechanism of UV-induced Dewar lesion repair catalysed by DNA (6-4) photolyase journal January 2012
Time-resolved broadband Raman spectroscopies: A unified six-wave-mixing representation journal September 2013
Thermodynamics of the Photoenzymic Repair Mechanism Studied by Density Functional Theory journal October 2000
Substrate and Temperature Dependence of DNA Photolyase Repair Activity Examined with Ultrafast Spectroscopy journal October 1997
Solvation dynamics through Raman spectroscopy: Hydration of Br 2 and Br 3 , and solvation of Br 2 in liquid bromine journal May 2011
An AIMD Study of CPD Repair Mechanism in Water: Role of Solvent in Ring Splitting journal April 2011
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs journal January 2006
UV-induced DNA damage and repair: a review journal March 2002
Broadband infrared and Raman probes of excited-state vibrational molecular dynamics: simulation protocols based on loop diagrams journal January 2013
 -Helix formation in a photoswitchable peptide tracked from picoseconds to microseconds by time-resolved IR spectroscopy journal February 2005
Ultrafast Raman loss spectroscopy journal March 2009
Monitoring Nonadiabatic Dynamics of the RNA Base Uracil by UV Pump–IR Probe Spectroscopy journal May 2013
Reaction mechanisms of DNA photolyase journal December 2010
Femtosecond Stimulated Raman Spectroscopy journal May 2007
Stochastic simulation of chemical exchange in two dimensional infrared spectroscopy journal July 2006
Structure and Function of DNA Photolyase and Cryptochrome Blue-Light Photoreceptors journal June 2003
Communication: Comment on the effective temporal and spectral resolution of impulsive stimulated Raman signals journal April 2011
Probing the Conical Intersection Dynamics of the RNA Base Uracil by UV-Pump Stimulated-Raman-Probe Signals; Ab Initio Simulations journal February 2014
Self‐consistent molecular orbital methods. XVIII. Constraints and stability in Hartree–Fock theory journal April 1977
The path of chemical reactions - the IRC approach journal December 1981
Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions journal January 2006
Crystal structure of DNA photolyase from Escherichia coli journal June 1995
Thymine Dimerization in DNA Is an Ultrafast Photoreaction journal February 2007
Dynamics and Mechanism of DNA Repair in a Biomimetic System: Flavin–Thymine Dimer Adduct journal January 2012
Femtosecond time-resolved Raman spectroscopy using stimulated Raman scattering journal December 1999
Thymine Dimerization in DNA Model Systems: Cyclobutane Photolesion Is Predominantly Formed via the Singlet Channel journal March 2009
Surviving the Sun: Repair and bypass of DNA UV lesions journal October 2011
Transition State Theory journal October 1981
Spectroscopic Tracking of Structural Evolution in Ultrafast Stilbene Photoisomerization journal November 2008
Dynamics and mechanism of cyclobutane pyrimidine dimer repair by DNA photolyase journal July 2011
The influence of polarization functions on molecular orbital hydrogenation energies journal January 1973
Light-driven enzymatic catalysis of DNA repair: a review of recent biophysical studies on photolyase journal February 2005
Quantum theory of time-resolved femtosecond stimulated Raman spectroscopy: Direct versus cascade processes and application to CDCl 3 journal January 2011
Structural Observation of the Primary Isomerization in Vision with Femtosecond-Stimulated Raman journal November 2005
Structure and function of DNA photolyase journal January 1994
A QM/MM Investigation of Thymine Dimer Radical Anion Splitting Catalyzed by DNA Photolyase journal February 2009
Mapping GFP structure evolution during proton transfer with femtosecond Raman spectroscopy journal November 2009
Ultrafast Photoconversion of the Green Fluorescent Protein Studied by Accumulative Femtosecond Spectroscopy journal April 2009
Ring Opening of the Cyclobutane in a Thymine Dimer Radical Anion journal November 2007
Assessment of the Performance of the M05−2X and M06−2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules journal November 2008
Structure and Function of Photolyase and in Vivo Enzymology: 50th Anniversary journal November 2008
Direct observation of thymine dimer repair in DNA by photolyase journal September 2005
Quantum theory of (femtosecond) time-resolved stimulated Raman scattering journal April 2008
Stability analysis for solutions of the closed shell Kohn–Sham equation journal June 1996
Theory of femtosecond stimulated Raman spectroscopy journal August 2004
Coherent ultrafast torsional motion and isomerization of a biomimetic dipolar photoswitch journal January 2010
An AIMD Study of the CPD Repair Mechanism in Water: Reaction Free Energy Surface and Mechanistic Implications journal April 2011
Computational Study of Thymine Dimer Radical Anion Splitting in the Self-Repair Process of Duplex DNA journal March 2008
Protein Dynamics Studied with Ultrafast Two-Dimensional Infrared Vibrational Echo Spectroscopy journal March 2012
Sequential Proton Transfer Through Water Bridges in Acid-Base Reactions journal October 2005
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules journal March 1972

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