UV-A screening in Cladophora sp. lowers internal UV-A availability and photoreactivation as compared to non-UV screening in Ulva intestinalis

Frauke Pescheck

Photochem Photobiol Sci, 2019, 18, 413
DOI: 10.1039/c8pp00432c

Synthesis and photophysical properties of ruthenium(ii) polyimine complexes decorated with flavin

Huimin Guo, Lijuan Zhu, Can Dang, Jianzhang Zhao and Bernhard Dick

Phys. Chem. Chem. Phys., 2018, 20, 17504
DOI: 10.1039/C8CP02358A

Electronic spectra of flavin in different redox and protonation states: a computational perspective on the effect of the electrostatic environment

Mohammad Pabel Kabir, Yoelvis Orozco-Gonzalez and Samer Gozem

Phys. Chem. Chem. Phys., 2019, 21, 16526
DOI: 10.1039/C9CP02230A

Towards modelling light processes of blue-light photoreceptors. Pyrene–isoalloxazine (flavin)–phenothiazine triad: electrochemical, photophysical, investigations and quantum chemical calculations

Zhen Shen, Roman Procházka, Jörg Daub, Norbert Fritz, Nursel Acar and Siegfried Schneider

Phys. Chem. Chem. Phys., 2003, 5, 3257
DOI: 10.1039/B301279D

Formation of pyrimidine dimer radical anions in the gas phase

Achim Edtbauer, Katherine Russell, Linda Feketeová, Jörg Taubitz, Christian Mitterdorfer, Stephan Denifl, Richard A. J. O’Hair, Tilmann D. Märk, Paul Scheier and Uta Wille

Chem. Commun., 2009, 7291
DOI: 10.1039/b920282j

Dissociative electron transfer to and from pyrimidine cyclobutane dimers: An electrochemical study

Fabien Boussicault, Oliver Krüger, Marc Robert and Uta Wille

Org. Biomol. Chem., 2004, 2, 2742
DOI: 10.1039/B406923D

Photophysical properties of N-methyl and N-acetyl substituted alloxazines: a theoretical investigation

Huimin Guo, Xiaolin Ma, Zhiwen Lei, Yang Qiu, Jianzhang Zhao and Bernhard Dick

Phys. Chem. Chem. Phys., 2021, 23, 13734
DOI: 10.1039/D1CP01201K

Model compounds for (6–4) photolyases: a comparative flavin induced cleavage study of oxetanes and thietanes

Marcus G. Friedel, Michaela K. Cichon and Thomas Carell

Org. Biomol. Chem., 2005, 3, 1937
DOI: 10.1039/b503205a

Tailoring flavin-based photosensitizers for efficient photooxidative coupling of benzylic amines

Huimin Guo, Yang Qiu, Siyu Liu, Xiangyu Zhang and Jianzhang Zhao

Phys. Chem. Chem. Phys., 2024, 26, 161
DOI: 10.1039/D3CP04579J

Efficient photosensitized splitting of the thymine dimer/oxetane unit on its modifying β-cyclodextrin by a binding electron donor

Wen-Jian Tang, Qin-Hua Song, Hong-Bo Wang, Jing-yu Yu and Qing-Xiang Guo

Org. Biomol. Chem., 2006, 4, 2575
DOI: 10.1039/B604529D

Lightening flavin by amination for fluorescent sensing

Huimin Guo, Siyu Liu, Xin Liu and Lijun Zhang

Phys. Chem. Chem. Phys., 2024, 26, 19554
DOI: 10.1039/D4CP01525H

Boosting sulfides photooxidation by fusing naphthalimide and flavin together

Huimin Guo, Zhiwen Lei, Xiaolin Ma, Siyu Liu, Yang Qiu and Jianzhang Zhao

Phys. Chem. Chem. Phys., 2022, 24, 15255
DOI: 10.1039/D2CP01368A

Elucidation of the intrinsic optical properties of hydrogen-bonded and protonated flavin chromophores by photodissociation action spectroscopy

Kasper Lincke, Jeppe Langeland, Andreas Østergaard Madsen, Hjalte V. Kiefer, Louise Skov, Elisabeth Gruber, Kurt V. Mikkelsen, Lars H. Andersen and Mogens Brøndsted Nielsen

Phys. Chem. Chem. Phys., 2018, 20, 28678
DOI: 10.1039/C8CP05368E

Exploration of photochemical reactions of N-trimethylsilylmethyl-substituted uracil, pyridone, and pyrrolidone derivatives

Dae Won Cho, Chan Woo Lee, Jong Gu Park, Sun Wha Oh, Nam Kyoung Sung, Hea Jung Park, Kyung Mok Kim, Patrick S. Mariano and Ung Chan Yoon

Photochem Photobiol Sci, 2011, 10, 1169
DOI: 10.1039/c0pp00372g

The efficiency of photolyase and indole complexes to repair DNA containing dimers of pyrimidine: A theoretical analysis of the electron transfer reactions

Flávia Volcov and Carla Goldman

The Journal of Chemical Physics, 2004, 120, 3381
DOI: 10.1063/1.1640612

Molecular Mechanisms of Ultraviolet Radiation‐Induced DNA Damage and Repair

Rajesh P. Rastogi, Richa, Ashok Kumar, Madhu B. Tyagi, Rajeshwar P. Sinha and Shigenori Iwai

Journal of Nucleic Acids, 2010, 2010
DOI: 10.4061/2010/592980

Efficient Photosensitized Splitting of Thymine Dimer by a Covalently Linked Tryptophan in Solvents of High Polarity

Qin‐Hua Song, Wen‐Jian Tang, Xiao‐Ming Hei, Hong‐Bo Wang, Qing‐Xiang Guo and Shu‐Qin Yu

Eur J Org Chem, 2005, 2005, 1097
DOI: 10.1002/ejoc.200400631

A Light-Controlled Reversible DNA Photoligation via Carbazole-Tethered 5-Carboxyvinyluracil

Kenzo Fujimoto, Hideaki Yoshino, Takehiro Ami, Yoshinaga Yoshimura and Isao Saito

Org. Lett., 2008, 10, 397
DOI: 10.1021/ol7026784

Why Flavins Are not Competitors of Chlorophyll in the Evolution of Biological Converters of Solar Energy

Mikhail Kritsky, Taisiya Telegina, Yulia Vechtomova and Andrey Buglak

IJMS, 2012, 14, 575
DOI: 10.3390/ijms14010575

EPR, ENDOR, and TRIPLE Resonance Spectroscopy on the Neutral Flavin Radical in Escherichia coli DNA Photolyase

Christopher W. M. Kay, Richard Feicht, Kristina Schulz, Peter Sadewater, Aziz Sancar, Adelbert Bacher, Klaus Möbius, Gerald Richter and Stefan Weber

Biochemistry, 1999, 38, 16740
DOI: 10.1021/bi991442u

Electronic Structure of (6−4) DNA Photoproduct Repair Involving a Non-Oxetane Pathway

Tatiana Domratcheva and Ilme Schlichting

J. Am. Chem. Soc., 2009, 131, 17793
DOI: 10.1021/ja904550d

Electron Transfer Pathways of Cyclobutane Pyrimidine Dimer Photolyase Revisited

Ryuma Sato, Hirotaka Kitoh-Nishioka, Koji Ando and Takahisa Yamato

J. Phys. Chem. B, 2018, 122, 6912
DOI: 10.1021/acs.jpcb.8b04333

Efficient cycloreversion of cis,syn-thymine photodimer by a Zn2+–1,4,7,10-tetraazacyclododecane complex bearing a lumiflavin and tryptophan by chemical reduction and photoreduction of a lumiflavin unit

Yasuyuki Yamada and Shin Aoki

J Biol Inorg Chem, 2006, 11, 1007
DOI: 10.1007/s00775-006-0152-3

Efficient synthesis of 3-cyanovinylcarbazole-1′-β-deoxyriboside-5′-triphosphate: a reversible photo-cross-linking probe

Anilkumar R. Kore and Balasubramanian Srinivasan

Tetrahedron Letters, 2012, 53, 4012
DOI: 10.1016/j.tetlet.2012.05.114

Anisotropic recombination of an immobilized photoinduced radical pair in a 50-μT magnetic field: a model avian photomagnetoreceptor

F. Cintolesi, T. Ritz, C.W.M. Kay, C.R. Timmel and P.J. Hore

Chemical Physics, 2003, 294, 385
DOI: 10.1016/S0301-0104(03)00320-3

Effects of exogenous folic acid on the yield and amino acid content of the seed ofPisum sativum L. andHordeum vulgare L.

L. N. Stakhova, L. F. Stakhov and V. G. Ladygin

Appl Biochem Microbiol, 2000, 36, 85
DOI: 10.1007/BF02738142

Charge Transfer through the DNA Base Stack

R. Erik Holmlin, Peter J. Dandliker and Jacqueline K. Barton

Angew. Chem. Int. Ed. Engl., 1997, 36, 2714
DOI: 10.1002/anie.199727141

Comparing ultrafast excited state quenching of flavin 1,N6-ethenoadenine dinucleotide and flavin adenine dinucleotide by optical spectroscopy and DFT calculations

Kimberly Jacoby Morris, David T. Barnard, Madhavan Narayanan, Megan C. Byrne, Rylee A. McBride, Vijay R. Singh and Robert J. Stanley

Photochem Photobiol Sci, 2022, 21, 959
DOI: 10.1007/s43630-022-00187-2

Photosensitized Cleavage of the Thymine Dimer in DNA via Carbazole Nucleoside

Yoshinaga Yoshimura, Yuta Taya, Hiroshi Matsumura and Kenzo Fujimoto

J. Photopol. Sci. Technol., 2008, 21, 525
DOI: 10.2494/photopolymer.21.525

DNA repair: models for damage and mismatch recognition

Scott R Rajski, Brian A Jackson and Jacqueline K Barton

Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis, 2000, 447, 49
DOI: 10.1016/S0027-5107(99)00195-5

Flavin photocatalysis

Burkhard König, Susanne Kümmel, Eva Svobodová and Radek Cibulka

Physical Sciences Reviews, 2018, 3
DOI: 10.1515/psr-2017-0168

Pericyclic Reactions of Radical Cations

Nicolas J. Saettel, Jonas Oxgaard and Olaf Wiest

Eur. J. Org. Chem., 2001, 2001, 1429
DOI: 10.1002/1099-0690(200104)2001:8<1429::AID-EJOC1429>3.0.CO;2-6

Do Photolyases Need To Provide Considerable Activation Energy for the Splitting of Cyclobutane Pyrimidine Dimer Radical Anions?

Qin‐Hua Song, Wen‐Jian Tang, Xue‐Bao Ji, Hong‐Bo Wang and Qing‐Xiang Guo

Chemistry A European J, 2007, 13, 7762
DOI: 10.1002/chem.200700251

Influence of C5-methylation of cytosine on the formation of cyclobutane pyrimidine dimers

Xiaoyi Li and Leif A. Eriksson

Chemical Physics Letters, 2005, 401, 99
DOI: 10.1016/j.cplett.2004.11.037

On the Photophysics of Artificial Blue-Light Photoreceptors: An Ab Initio Study on a Flavin-Based Dye Dyad at the Level of Coupled-Cluster Response Theory

Keyarash Sadeghian and Martin Schütz

J. Am. Chem. Soc., 2007, 129, 4068
DOI: 10.1021/ja068536t

The Flash−Quench Technique in Protein−DNA Electron Transfer: Reduction of the Guanine Radical by Ferrocytochrome c

Eric D. A. Stemp and Jacqueline K. Barton

Inorg. Chem., 2000, 39, 3868
DOI: 10.1021/ic0000698

Zur DNA‐Reparatur durch das Enzym DNA‐Photolyase: Synthese von Flavin enthaltenden Modellverbindungen

Thomas Carell, Robert Epple and Volker Gramlich

Angewandte Chemie, 1996, 108, 676
DOI: 10.1002/ange.19961080609

Cycloreversion of Formylcyclobutane Radical Anion: Two-Step Rotating Mechanism

Zheng-wang Qu, Hui Zhu, Ru-bo Zhang, Xiao-dong Zhang, Xi-cheng Ai, Xing-kang Zhang and Qi-yuan Zhang

J. Phys. Chem. A, 2004, 108, 5253
DOI: 10.1021/jp031307y

Light-driven enzymatic catalysis of DNA repair: a review of recent biophysical studies on photolyase

Stefan Weber

Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2005, 1707, 1
DOI: 10.1016/j.bbabio.2004.02.010

Reaction Mechanism of (6-4) Photolyase

Xiaodong Zhao, Jianquan Liu, David S. Hsu, Shaying Zhao, John-Stephen Taylor and Aziz Sancar

Journal of Biological Chemistry, 1997, 272, 32580
DOI: 10.1074/jbc.272.51.32580

New Orbital Symmetry-Allowed Route for Cycloreversion of Silacyclobutane and Its Methyl Derivatives

Ismail Badran, Arvi Rauk and Yujun Shi

J. Phys. Chem. A, 2019, 123, 1749
DOI: 10.1021/acs.jpca.8b08071

Characteristic Structure and Environment in FAD Cofactor of (6−4) Photolyase along Function Revealed by Resonance Raman Spectroscopy

Jiang Li, Takeshi Uchida, Takehiro Ohta, Takeshi Todo and Teizo Kitagawa

J. Phys. Chem. B, 2006, 110, 16724
DOI: 10.1021/jp062998b

Model Studies of DNA Photorepair: Enthalpy of Cleavage of a Pyrimidine Dimer Measured by Photothermal Beam Deflection Calorimetry

Michael P. Scannell, Syun‐Ru Yeh and Daniel E. Falvey

Photochem & Photobiology, 1996, 64, 764
DOI: 10.1111/j.1751-1097.1996.tb01832.x

Self-Repairing DNA Based on a Reductive Electron Transfer through the Base Stack

Anja Schwögler, Lars T. Burgdorf and Thomas Carell

Angew. Chem. Int. Ed., 2000, 39, 3918
DOI: 10.1002/1521-3773(20001103)39:21<3918::AID-ANIE3918>3.0.CO;2-6

Substituent Effects on Photosensitized Splitting of Thymine Cyclobutane Dimer by an Attached Indole

Wenjian Tang, Hongmei Zhou, Jing Wang, Chunxiao Pan, Jingbo Shi and Qinhua Song

ChemPhysChem, 2012, 13, 4180
DOI: 10.1002/cphc.201200652

Formation and Direct Repair of UV‐induced Dimeric DNA Pyrimidine Lesions

Andrea Christa Kneuttinger, Gengo Kashiwazaki, Stefan Prill, Korbinian Heil, Markus Müller and Thomas Carell

Photochem & Photobiology, 2014, 90, 1
DOI: 10.1111/php.12197

Synthesis of Flavin‐Containing Model Compounds for DNA Photolyase Mediated DNA Repair

Thomas Carell, Robert Epple and Volker Gramlich

Angew. Chem. Int. Ed. Engl., 1996, 35, 620
DOI: 10.1002/anie.199606201

Electrochemical Approach to the Repair of Oxetanes Mimicking DNA (6−4) Photoproducts

Fabien Boussicault and Marc Robert

J. Phys. Chem. B, 2006, 110, 21987
DOI: 10.1021/jp062425z

On the Formation of Cyclobutane Pyrimidine Dimers in UV-irradiated DNA: Why are Thymines More Reactive?¶

Bo Durbeej and Leif A. Eriksson

Photochemistry and Photobiology, 2007, 78, 159
DOI: 10.1562/0031-8655(2003)0780159OTFOCP2.0.CO2

Determining Excited-State Absorption Properties of a Quinoid Flavin by Polarization-Resolved Transient Spectroscopy

Yi Xu, Martin T. Peschel, Miriam Jänchen, Richard Foja, Golo Storch, Erling Thyrhaug, Regina de Vivie-Riedle and Jürgen Hauer

J. Phys. Chem. A, 2024, 128, 3830
DOI: 10.1021/acs.jpca.4c01260

Metal ion-coupled and decoupled electron transfer

Shunichi Fukuzumi and Kei Ohkubo

Coordination Chemistry Reviews, 2010, 254, 372
DOI: 10.1016/j.ccr.2009.10.020

Oxidative Thymine Dimer Repair in the DNA Helix

Peter J. Dandliker, R. Erik Holmlin and Jacqueline K. Barton

Science, 1997, 275, 1465
DOI: 10.1126/science.275.5305.1465

Seeing blue: the discovery of cryptochrome

Margaret Ahmad and Anthony R. Cashmore

Plant Mol Biol, 1996, 30, 851
DOI: 10.1007/BF00020798

Ultrafast Reversible Photo-Cross-Linking Reaction: Toward in Situ DNA Manipulation

Yoshinaga Yoshimura and Kenzo Fujimoto

Org. Lett., 2008, 10, 3227
DOI: 10.1021/ol801112j

Solvent effects on photosensitized splitting of thymine cyclobutane dimer by an attached phenothiazine

Hong-Mei Zhou, Wen-Jian Tang, Hong Zhang, Xiao-Xiang Li and Jun Li

Journal of Photochemistry and Photobiology A: Chemistry, 2012, 246, 60
DOI: 10.1016/j.jphotochem.2012.07.014

Purification and Partial Characterization of (6‐4) Photoproduct DNA Photolyase from Xenopus laevis

Sang‐Tae Kim, Khushbeer Malhotra, John‐Stephen Taylor and Aziz Sancar

Photochem & Photobiology, 1996, 63, 292
DOI: 10.1111/j.1751-1097.1996.tb03028.x

Catalytic Repair of a Thymine Dimer in DNA via Carbazole Nucleoside

Yoshinaga Yoshimura and Kenzo Fujimoto

Chemistry Letters, 2006, 35, 386
DOI: 10.1246/cl.2006.386

A facile method of shielding from UV damage by polymer photonic crystals

Jingxia Wang, Jie Liang, Huimeng Wu, Wenfang Yuan, Yongqiang Wen, Yanlin Song and Lei Jiang

Polymer International, 2008, 57, 509
DOI: 10.1002/pi.2376

Origin of Solvent Dependence of Photosensitized Splitting of a Cyclobutane Pyrimidine Dimer by a Covalently Linked Chromophore

Wen-Jian Tang, Qing-Xiang Guo and Qin-Hua Song

J. Phys. Chem. B, 2009, 113, 7205
DOI: 10.1021/jp805965e

Electron-Transfer Induced Repair of 6-4 Photoproducts in DNA: A Computational Study

O. Anders Borg, Leif A. Eriksson and Bo Durbeej

J. Phys. Chem. A, 2007, 111, 2351
DOI: 10.1021/jp0676383

A QM/MM Investigation of Thymine Dimer Radical Anion Splitting Catalyzed by DNA Photolyase

Fanny Masson, Teodoro Laino, Ursula Rothlisberger and Jürg Hutter

ChemPhysChem, 2009, 10, 400
DOI: 10.1002/cphc.200800624

Ultrafast electron transfer processes studied by pump‐repump‐probe spectroscopy

Martin K. Fischer, Alexander Gliserin, Alfred Laubereau and Hristo Iglev

Journal of Biophotonics, 2011, 4, 178
DOI: 10.1002/jbio.201000099

Time course of the content of folates and free amino acids in leaves of Pisum sativum L. after irradiation with ultraviolet C

L. F. Stakhov, V. G. Ladygin and L. N. Stakhova

Biol Bull Russ Acad Sci, 2005, 32, 121
DOI: 10.1007/s10525-005-0017-2

ELECTRONIC PATHWAYS IN PHOTOACTIVATED REPAIR OF UV MUTATED DNA

HENRIK BOHR, K. J. JALKANEN and F. BARY MALIK

Mod. Phys. Lett. B, 2005, 19, 473
DOI: 10.1142/S021798490500844X

What Is Adenine Doing in Photolyase?

Angela Acocella, Garth A. Jones and Francesco Zerbetto

J. Phys. Chem. B, 2010, 114, 4101
DOI: 10.1021/jp101093z

Computational analysis of DNA photolyases using digital signal processing methods

E. Pirogova, V. Vojisavljevic, Q. Fang and I. Cosic

Molecular Simulation, 2006, 32, 1195
DOI: 10.1080/08927020601052997

Involvement of Triplet Excited States and Olefin Radical Cations in Electron-Transfer Cycloreversion of Four-Membered Ring Compounds Photosensitized by (Thia)pyrylium Salts

Miguel A. Miranda, M. Angeles Izquierdo and Francisco Galindo

J. Org. Chem., 2002, 67, 4138
DOI: 10.1021/jo011103i

Studies of Organic Protein Cofactors Using Electron Paramagnetic Resonance

Stefan Weber and Robert Bittl

Bulletin of the Chemical Society of Japan, 2007, 80, 2270
DOI: 10.1246/bcsj.80.2270

Spectroscopic and Thermodynamic Comparisons of Escherichia coli DNA Photolyase and Vibrio cholerae Cryptochrome 1

Kathleen Sokolowsky, Maire Newton, Carlos Lucero, Bradley Wertheim, Jaryd Freedman, Frank Cortazar, Jennifer Czochor, Johannes P. M. Schelvis and Yvonne M. Gindt

J. Phys. Chem. B, 2010, 114, 7121
DOI: 10.1021/jp102275r

Theoretical Study of Electron Transfer between the Photolyase Catalytic Cofactor FADH- and DNA Thymine Dimer

Jens Antony, Dmitry M. Medvedev and Alexei A. Stuchebrukhov

J. Am. Chem. Soc., 2000, 122, 1057
DOI: 10.1021/ja993784t

The Electronic Structure of the Flavin Cofactor in DNA Photolyase

Stefan Weber, Klaus Möbius, Gerald Richter and Christopher W. M. Kay

J. Am. Chem. Soc., 2001, 123, 3790
DOI: 10.1021/ja003426m

Calculation of Quantum Parameters for Nonadiabatic Redox Reactions. Application to Photoreduction of Flavin in DNA Photolyase

EunJoo Lee, Emile S. Medvedev and Alexei A. Stuchebrukhov

J. Phys. Chem. B, 2000, 104, 6894
DOI: 10.1021/jp000167e

Flavin Dibromide as an Efficient Sensitizer for Photooxidation of Sulfides

Can Dang, Lijuan Zhu, Huimin Guo, Hongyu Xia, Jianzhang Zhao and Bernhard Dick

ACS Sustainable Chem. Eng., 2018, 6, 15254
DOI: 10.1021/acssuschemeng.8b03729

Charge transfer and transport in DNA

Joshua Jortner, Mordechai Bixon, Thomas Langenbacher and Maria E. Michel-Beyerle

Proc. Natl. Acad. Sci. U.S.A., 1998, 95, 12759
DOI: 10.1073/pnas.95.22.12759

Origin of the Transient Electron Paramagnetic Resonance Signals in DNA Photolyase

Yvonne M. Gindt, Esther Vollenbroek, Kristi Westphal, Heather Sackett, Aziz Sancar and Gerald T. Babcock

Biochemistry, 1999, 38, 3857
DOI: 10.1021/bi981191+

Ab Initio Study on the Structure and Splitting of the Uracil Dimer Anion Radical

Alexander A. Voityuk and Notker Rösch

J. Phys. Chem. A, 1997, 101, 8335
DOI: 10.1021/jp971187s

The effect of hydrogen-bonding on flavin’s infrared absorption spectrum

Mohammad Pabel Kabir, Yoelvis Orozco-Gonzalez, Gary Hastings and Samer Gozem

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2021, 262, 120110
DOI: 10.1016/j.saa.2021.120110

Reaction mechanism of thymine dimer formation in DNA induced by UV light

Bo Durbeej and Leif A. Eriksson

Journal of Photochemistry and Photobiology A: Chemistry, 2002, 152, 95
DOI: 10.1016/S1010-6030(02)00180-6

Photochemistry of the thio-analogue of the DNA (6-4) photoproduct Dewar valence isomer: Structure of a new photoproduct

Pascale Clivio and Jean-Louis Fourrey

Tetrahedron Letters, 1998, 39, 275
DOI: 10.1016/S0040-4039(97)10511-1

On the Formation of Cyclobutane Pyrimidine Dimers in UV-irradiated DNA: Why are Thymines More Reactive?¶

Bo Durbeej and Leif A. Eriksson

Photochem Photobiol, 2003, 78, 159
DOI: 10.1562/0031-8655(2003)078<0159:OTFOCP>2.0.CO;2

Surface-enhanced Raman scattering of uracil and uracil dimer on silver by density functional method

Simin Gao, Hongyan Wang, Baomei Zhang and Yuexia Lin

Journal of Molecular Structure, 2013, 1038, 95
DOI: 10.1016/j.molstruc.2013.01.024

Electronic Structure Methods for Simulating Flavin’s Spectroscopy and Photophysics: Comparison of Multi-reference, TD-DFT, and Single-Reference Wave Function Methods

Mohammad Pabel Kabir, Paulami Ghosh and Samer Gozem

J. Phys. Chem. B, 2024, 128, 7545
DOI: 10.1021/acs.jpcb.4c03748

Substrate and Temperature Dependence of DNA Photolyase Repair Activity Examined with Ultrafast Spectroscopy

Thomas Langenbacher, Xiaodong Zhao, Gero Bieser, Paul F. Heelis, Aziz Sancar and Maria Elisabeth Michel-Beyerle

J. Am. Chem. Soc., 1997, 119, 10532
DOI: 10.1021/ja9721024

Oxidative Repair of a Thymine Dimer in DNA from a Distance by a Covalently Linked Organic Intercalator

David A. Vicic, Duncan T. Odom, Megan E. Núñez, Diego A. Gianolio, Larry W. McLaughlin and Jacqueline K. Barton

J. Am. Chem. Soc., 2000, 122, 8603
DOI: 10.1021/ja000280i

ChemInform Abstract: Photoenzymic Repair of UV‐Damaged DNA: A Chemist′s Perspective

P. F. HEELIS, R. F. HARTMAN and S. D. ROSE

ChemInform, 1996, 27
DOI: 10.1002/chin.199606317

A Model System for Flavoenzyme Activity − Binding of Flavin and Modulation of Its Redox Potentials through Coordination to a Lewis-Acidic Azamacrocyclic Zinc(II) Complex

Burkhard König, Mario Pelka, Roland Reichenbach-Klinke, Jürgen Schelter and Jörg Daub

Eur. J. Org. Chem., 2001, 2001, 2297
DOI: 10.1002/1099-0690(200106)2001:12<2297::AID-EJOC2297>3.0.CO;2-R

A Review of Spectroscopic and Biophysical‐Chemical Studies of the Complex of Cyclobutane Pyrimidine Dimer Photolyase and Cryptochrome DASH with Substrate DNA

Johannes P. M. Schelvis and Yvonne M. Gindt

Photochem & Photobiology, 2017, 93, 26
DOI: 10.1111/php.12678

Efficient Inhibition of Photo[2 + 2]cycloaddition of Thymidilyl(3‘−5‘)thymidine and Promotion of Photosplitting of the cis-syn-Cyclobutane Thymine Dimer by Dimeric Zinc(II)−Cyclen Complexes Containing m- and p-Xylyl Spacers

Shin Aoki, Chizuyo Sugimura and Eiichi Kimura

J. Am. Chem. Soc., 1998, 120, 10094
DOI: 10.1021/ja981788c

Copolymers of 4‐(1‐methyl‐1‐mesityl‐3‐cyclobutyl)‐2‐N‐1, 3‐thiazole‐2‐yl methacrylamide with 2‐[(5‐methylisoxazol‐3‐yl) amino]‐2‐oxo‐ethyl methacrylate: Synthesis, characterization, monomer reactivity ratios and biological activity

Ibrahim Erol and Ayşe Dedelioglu

J. Polym. Sci. A Polym. Chem., 2008, 46, 530
DOI: 10.1002/pola.22403

No "End of History" for Photolyases

Aziz Sancar

Science, 1996, 272, 48
DOI: 10.1126/science.272.5258.48

A Theoretical Study of the Structures of Flavin in Different Oxidation and Protonation States

Ya-Jun Zheng and Rick L. Ornstein

J. Am. Chem. Soc., 1996, 118, 9402
DOI: 10.1021/ja9608151

Structure and Function of DNA Photolyase and Cryptochrome Blue-Light Photoreceptors

Aziz Sancar

Chem. Rev., 2003, 103, 2203
DOI: 10.1021/cr0204348

RNA Is More UV Resistant than DNA: The Formation of UV‐Induced DNA Lesions is Strongly Sequence and Conformation Dependent

Lal Mohan Kundu, Uwe Linne, Mohamed Marahiel and Thomas Carell

Chemistry A European J, 2004, 10, 5697
DOI: 10.1002/chem.200305731

Density functional investigation on electron‐transfer catalysis of cycloreversion of cyclobutane: Radical anion mechanism

Zheng‐Wang Qu, Hui Zhu, Xing‐Kang Zhang and Qi‐Yuan Zhang

J Comput Chem, 2003, 24, 340
DOI: 10.1002/jcc.10177

Model studies of the (6-4) photoproduct photoreactivation: synthesis and photosensitized splitting of uracil oxetane adducts

Qinhua H. Song, Xiaoming Hei, Zhixiu Xu, Xiang Zhang and Qingxiang Guo

Bioorganic Chemistry, 2003, 31, 357
DOI: 10.1016/S0045-2068(03)00082-8

Thermal [2 + 2] Cycloreversion of a Cyclobutane Moiety via a Biradical Reaction

J. Liese and N. Hampp

J. Phys. Chem. A, 2011, 115, 2927
DOI: 10.1021/jp111577j

The π–π* molecular structure of flavin of FADH− enzymatic cofactor using the LCAO method

L.G.D. Hawke, C. Simserides and G. Kalosakas

Materials Science and Engineering: B, 2009, 165, 266
DOI: 10.1016/j.mseb.2009.02.012

White and Colored Noises as Driving Forces of Electron Transfer: The Photolyase Repair Mechanism as a Test Case

Jacopo Fadanni, Angela Acocella and Francesco Zerbetto

J. Phys. Chem. Lett., 2019, 10, 4511
DOI: 10.1021/acs.jpclett.9b01763

A (6-4) Photolyase Model: Repair of DNA (6-4) Lesions Requires a Reduced and Deprotonated Flavin

Michaela K. Cichon, Simone Arnold and Thomas Carell

Angew. Chem., 2002, 114, 793
DOI: 10.1002/1521-3757(20020301)114:5<793::AID-ANGE793>3.0.CO;2-W

Concentration-Dependent Isotope Effects in Electron Transfer-Mediated Reactions Photocyanation of Biphenyl and Dimethylbiphenyls

Roel Gronheid, Jacob Baggerman and Gerrit Lodder

J. Phys. Chem. A, 2003, 107, 7675
DOI: 10.1021/jp027757s

Macrocyclic Zinc(II) Complexes for Selective Recognition of Nucleobases in Single- and Double-Stranded Polynucleotides

Eiichi Kimura and Emiko Kikuta

Progress in Reaction Kinetics and Mechanism, 2000, 25, 1
DOI: 10.3184/007967400103165119

Computational Study on the Mechanism of the Electron-Transfer-Induced Repair of the (6–4) T–T Photoproduct of DNA by Photolyase: Possibility of a Radical Cation Pathway

Toshiaki Matsubara, Nozomi Araida, Daichi Hayashi and Hatsumi Yamada

Bulletin of the Chemical Society of Japan, 2014, 87, 390
DOI: 10.1246/bcsj.20130298

Early Events of DNA Photodamage

Wolfgang J. Schreier, Peter Gilch and Wolfgang Zinth

Annu. Rev. Phys. Chem., 2015, 66, 497
DOI: 10.1146/annurev-physchem-040214-121821

Energetics of the splitting of pyrimidine photodimers induced by electron transfer to rhodium(III) complexes. A quantum chemical study

Janusz Rak, Alexander A. Voityuk and Notker R�sch

Int. J. Quant. Chem., 2000, 77, 128
DOI: 10.1002/(SICI)1097-461X(2000)77:1<128::AID-QUA12>3.0.CO;2-Z

Splitting of Cyclobutane-Type Uracil Dimer Cation Radicals. Hartree−Fock, MP2, and Density Functional Studies

Janusz Rak, Alexander A. Voityuk and Notker Rösch

J. Phys. Chem. A, 1998, 102, 7168
DOI: 10.1021/jp981665e

An AIMD Study of the CPD Repair Mechanism in Water: Reaction Free Energy Surface and Mechanistic Implications

Ali A. Hassanali, Dongping Zhong and Sherwin J. Singer

J. Phys. Chem. B, 2011, 115, 3848
DOI: 10.1021/jp107722z

Photolysis of the Sulfonamide Bond of Metal Complexes of N‐Dansyl‐1,4,7,10‐Tetraazacyclododecane in Aqueous Solution: A Mechanistic Study and Application to the Photorepair of cis,syn‐Cyclobutane Thymine Photodimer

Shin Aoki, Yumiko Tomiyama, Yoshiyuki Kageyama, Yasuyuki Yamada, Motoo Shiro and Eiichi Kimura

Chemistry An Asian Journal, 2009, 4, 561
DOI: 10.1002/asia.200800428

Thermodynamics of the Photoenzymic Repair Mechanism Studied by Density Functional Theory

Bo Durbeej and Leif A. Eriksson

J. Am. Chem. Soc., 2000, 122, 10126
DOI: 10.1021/ja000929j

Design, Synthesis, and Evaluation of a Biomimetic Artificial Photolyase Model

Olaf Wiest, Christopher B. Harrison, Nicolas J. Saettel, Radek Cibulka, Mirjam Sax and Burkhard König

J. Org. Chem., 2004, 69, 8183
DOI: 10.1021/jo0494329

DNA Repair Mechanism by Photolyase: Electron Transfer Path from the Photolyase Catalytic Cofactor FADH−to DNA Thymine Dimer

DMITRY MEDVEDEV and ALEXEI A. STUCHEBRUKHOV

Journal of Theoretical Biology, 2001, 210, 237
DOI: 10.1006/jtbi.2001.2291

Photosensitized Splitting of Thymine Dimer or Oxetane Unit by a Covalently N-Linked Carbazole via Electron Transfer in Different Marcus Regions

Qing-Qing Wu and Qin-Hua Song

J. Phys. Chem. B, 2010, 114, 9827
DOI: 10.1021/jp1035579

Uracil- and thymine-substituted thymidine and uridine derivatives

Anna M. Costa, Montserrat Faja, Jaume Farràs and Jaume Vilarrasa

Tetrahedron Letters, 1998, 39, 1835
DOI: 10.1016/S0040-4039(98)00100-2

A Quantum Chemical Study of Photoinduced DNA Repair: On the Splitting of Pyrimidine Model Dimers Initiated by Electron Transfer

Alexander A. Voityuk, Maria-Elisabeth Michel-Beyerle and Notker Rösch

J. Am. Chem. Soc., 1996, 118, 9750
DOI: 10.1021/ja961252w

Selbstreparierende DNA basierend auf einem reduktiven Elektronentransfer durch den Basenstapel

Anja Schwögler, Lars T. Burgdorf and Thomas Carell

Angewandte Chemie, 2000, 112, 4082
DOI: 10.1002/1521-3757(20001103)112:21<4082::AID-ANGE4082>3.0.CO;2-K

An ab Initio MO Study on Fragmentation Reaction Mechanism of Thymine Dimer Radical Cation

Misako Aida, Fukiko Inoue, Motohisa Kaneko and Michel Dupuis

J. Am. Chem. Soc., 1997, 119, 12274
DOI: 10.1021/ja970184q

Substrate Binding to DNA Photolyase Studied by Electron Paramagnetic Resonance Spectroscopy

Stefan Weber, Gerald Richter, Erik Schleicher, Adelbert Bacher, Klaus Möbius and Christopher W.M. Kay

Biophysical Journal, 2001, 81, 1195
DOI: 10.1016/S0006-3495(01)75777-3

Femtosecond Dynamics of DNA Photolyase: Energy Transfer of Antenna Initiation and Electron Transfer of Cofactor Reduction

Chaitanya Saxena, Aziz Sancar and Dongping Zhong

J. Phys. Chem. B, 2004, 108, 18026
DOI: 10.1021/jp048376c

Crystal Structure of the T(6‐4)C Lesion in Complex with a (6‐4) DNA Photolyase and Repair of UV‐Induced (6‐4) and Dewar Photolesions

Andreas F. Glas, Sabine Schneider, Melanie J. Maul, Ulrich Hennecke and Thomas Carell

Chemistry A European J, 2009, 15, 10387
DOI: 10.1002/chem.200901004

The Roles of Several Residues of Escherichia coli DNA Photolyase in the Highly Efficient Photo‐Repair of Cyclobutane Pyrimidine Dimers

Lei Xu, Guoping Zhu and Shigenori Iwai

Journal of Nucleic Acids, 2010, 2010
DOI: 10.4061/2010/794782

Binding of Scandium Ions to Metalloporphyrin–Flavin Complexes for Long‐Lived Charge Separation

Takahiko Kojima, Ryosuke Kobayashi, Tomoya Ishizuka, Shinya Yamakawa, Hiroaki Kotani, Tatsuaki Nakanishi, Kei Ohkubo, Yoshihito Shiota, Kazunari Yoshizawa and Shunichi Fukuzumi

Chemistry A European J, 2014, 20, 15518
DOI: 10.1002/chem.201403960

Density functional investigation on the cycloreversion of cyclobutane radical cation: new reaction mechanism

Zheng-wang Qu, Hui Zhu, Xiao-dong Zhang, Xi-cheng Ai, Jian-ping Zhang, Xing-kang Zhang and Qi-yuan Zhang

Chemical Physics Letters, 2002, 360, 283
DOI: 10.1016/S0009-2614(02)00836-9

Oxidative Charge Transfer To Repair Thymine Dimers and Damage Guanine Bases in DNA Assemblies Containing Tethered Metallointercalators

Peter J. Dandliker, Megan E. Núñez and Jacqueline K. Barton

Biochemistry, 1998, 37, 6491
DOI: 10.1021/bi980041w

Toward an Artificial Oxidative DNA Photolyase

Mickaël Pauvert, Patrick Laine, Marco Jonas and Olaf Wiest

J. Org. Chem., 2004, 69, 543
DOI: 10.1021/jo0354600

Synthesis and Characterization of a New Methacrylate Polymer with Side Chain Benzofurane and Cyclobutane Ring: Thermal Properties and Antimicrobial Activity

Ibrahim Erol

High Performance Polymers, 2009, 21, 411
DOI: 10.1177/0954008308093494

Pathways of Electron Transfer in Escherichia coli DNA Photolyase:Trp306 to FADH

Margaret S. Cheung, Iraj Daizadeh, A.A. Stuchebrukhov and Paul F. Heelis

Biophysical Journal, 1999, 76, 1241
DOI: 10.1016/S0006-3495(99)77287-5

Ladungsübertragung durch den DNA‐Basenstapel

R. Erik Holmlin, Peter J. Dandliker and Jacqueline K. Barton

Angewandte Chemie, 1997, 109, 2830
DOI: 10.1002/ange.19971092404

Long-Distance Electron Transfer Through DNA

Bernd Giese

Annu. Rev. Biochem., 2002, 71, 51
DOI: 10.1146/annurev.biochem.71.083101.134037

A cyclic intermediate of the splitting reaction of cyclobutane-type pyrimidine dimer cation radicals. A computational finding as challenge for experimental techniques

Janusz Rak, Alexander A Voityuk and Notker Rösch

Journal of Molecular Structure: THEOCHEM, 1999, 488, 163
DOI: 10.1016/S0166-1280(98)00629-0

Cryogenic Gas-Phase Infrared Ion Spectroscopy of Ultraviolet-Induced Nucleotide Photoproducts

Gurpur Rakesh D. Prabhu, Michael Götze, Kim Greis, América Y. Torres-Boy, Marc Safferthal, Dominika Strzelecka, Carla Kirschbaum, Nimish D. Deshpande, Niklas Geue, Gerard Meijer, Gert von Helden and Kevin Pagel

Anal. Chem., 2025, 97, 26868
DOI: 10.1021/acs.analchem.5c05815

Explicit and implicit solvation of radical ions: the cycloreversion of CPD dimers

Nicolas J. Saettel and Olaf Wiest

Tetrahedron, 2006, 62, 6490
DOI: 10.1016/j.tet.2006.03.059

Studies on the Synthesis and Reactivity of Novel Benzofuran-2-yl-[3-Methyl-3-Phenylcyclobutyl] Methanones and their Antimicrobial Activity

Murat Koca, Misir Ahmedzade, Alaaddin Çukurovali and Cavit Kazaz

Molecules, 2005, 10, 747
DOI: 10.3390/10070747

Improving Photophysical Properties of Deazaflavin Derivatives by Acrylaldehyde Bridging: A Theoretical Investigation

Huimin Guo, Siyu Liu, Xin Liu and Jianzhang Zhao

ChemPhotoChem, 2024, 8
DOI: 10.1002/cptc.202400053

Cleavable Substrate Containing Molecular Beacons for the Quantification of DNA‐Photolyase Activity

Lal Mohan Kundu, Lars T. Burgdorf, Oliver Kleiner, Alfred Batschauer and Thomas Carell