Proton Tunneling in DNA and its Biological Implications

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Items 101–200 of 656

1. Effects of Intense Electric Fields on the Double Proton Transfer in the Watson–Crick Guanine–Cytosine Base Pair
   Alya A. Arabi, Cherif Farid Matta · 2018 · The Journal of Physical Chemistry B
2. Formamide Tautomerization: Catalytic Role of Formic Acid
   Montu K. Hazra, Tapas Chakraborty · 2005 · The Journal of Physical Chemistry A
3. Excess Electron Attachment Induces Barrier-Free Proton Transfer in Anionic Complexes of Thymine and Uracil with Formic Acid
   Maciej Harańczyk, Iwona Dąbkowska, Janusz Rak, Maciej S. Gutowski, J. Michael Nilles, Sarah T. Stokes, D. Radisic, Kit H. Bowen · 2004 · The Journal of Physical Chemistry B
4. Frenkel exciton model of ultrafast excited state dynamics in AT DNA double helices
   Eric R. Bittner · 2006 · Journal of Photochemistry and Photobiology A Chemistry
5. The origin of spontaneous point mutations in DNA via Löwdin mechanism of proton tunneling in DNA base pairs: Cure with covalent base pairing*
   Eugene S. Kryachko · 2002 · International Journal of Quantum Chemistry
6. Thieno Analogues of RNA Nucleosides: A Detailed Theoretical Study
   Pralok K. Samanta, Arun Kumar Manna, Swapan Kumar Pati · 2012 · The Journal of Physical Chemistry B
7. Excited-State Double-Proton Transfer in the 7-Azaindole Dimer in the Gas Phase. Resolution of the Stepwise versus Concerted Mechanism Controversy and a New Paradigm
   Hiroshi Sekiya, Kenji Sakota · 2006 · Bulletin of the Chemical Society of Japan
8. Quasiclassical calculations of one-dimensional potential parameters of the hydrogen migration in m e s o-tetraphenylporphine from experimental tunnel rates
   Hans‐Heinrich Limbach, Jürgen Hennig · 1979 · The Journal of Chemical Physics
9. Novel physico-chemical mechanism of the mutagenic tautomerisation of the Watson–Crick-like A·G and C·T DNA base mispairs: a quantum-chemical picture
   Ol’ha O. Brovarets’, Dmytro М. Hovorun · 2015 · RSC Advances
10. How does the long G·G* Watson–Crick DNA base mispair comprising keto and enol tautomers of the guanine tautomerise? The results of a QM/QTAIM investigation
    Ol’ha O. Brovarets’, Dmytro М. Hovorun · 2014 · Physical Chemistry Chemical Physics
11. 2-Hydroxypyridine ↔ 2-Pyridone Tautomerization: Catalytic Influence of Formic Acid
    Montu K. Hazra, Tapas Chakraborty · 2006 · The Journal of Physical Chemistry A
12. Multiple Proton-Transfer Reactions in DNA Base Pairs by Coordination of Pt Complex
    Toru Matsui, Yasuteru Shigeta, Kimihiko Hirao · 2007 · The Journal of Physical Chemistry B
13. Theoretical investigation of the proton transfer mechanism in guanine-cytosine and adenine-thymine base pairs
    Shiyan Xiao, Lei Wang, Yuan Liu, Xiangsong Lin, Haojun Liang · 2012 · The Journal of Chemical Physics
14. Infrared multiple photon dissociation action spectroscopy of protonated uracil and thiouracils: Effects of thioketo-substitution on gas-phase conformation
    Y.-w. Nei, T.E. Akinyemi, Jeffrey D. Steill, Jos Oomens, M. T. Rodgers · 2010 · International Journal of Mass Spectrometry
15. Ultrafast Proton Transfer Dynamics on the Repulsive Potential of the Ethanol Dication: Roaming-Mediated Isomerization versus Coulomb Explosion
    Enliang Wang, Xu Shan, Lei Chen, Thomas Pfeifer, Xiangjun Chen, Xueguang Ren, Alexander Dorn · 2020 · The Journal of Physical Chemistry A
16. Theoretical study of multidimensional proton tunneling in the excited state of tropolone
    Marek Janusz Wójcik, Hiroki Nakamura, Suehiro Iwata, Wiktor Tatara · 2000 · The Journal of Chemical Physics
17. The Development of Computational Chemistry in the United States
    John D. Bolcer, Robert R. Hermann · 1994 · Reviews in computational chemistry
18. How DNA is damaged by external electric fields: selective mutation vs. random degradation
    José P. Cerón‐Carrasco, Javier Cerezo, Denis Jacquemin · 2013 · Physical Chemistry Chemical Physics
19. On the Deactivation Mechanisms of Adenine–Thymine Base Pair
    João Paulo Gobbo, Vicenta Saurí, Daniel Roca‐Sanjuán, Luis Serrano‐Andrés, Manuela Merchán, Antonio Carlos Borin · 2012 · The Journal of Physical Chemistry B
20. Theoretical investigations of proton transfer reactions in a hydrogen bonded complex of cytosine with water
    Andrzej L. Sobolewski, Ludwik Adamowicz · 1995 · The Journal of Chemical Physics
21. Tautomeric equilibria in 8-oxopurines: Implications for mutagenicity
    Divi Venkateswarlu, Jerzy Leszczyński · 1998 · Journal of Computer-Aided Molecular Design
22. Studies of Hydrogen-Bonded Systems. IV. Radiation-Induced Tunneling and Tautomeric Equilibria in the Guanine—Cytosine Base Pair
    Robert Rein, Frank E. Harris · 1966 · The Journal of Chemical Physics
23. Does the G·G*synDNA mismatch containing canonical and rare tautomers of the guanine tautomerise through the DPT? A QM/QTAIM microstructural study
    Ol’ha O. Brovarets’, Dmytro М. Hovorun · 2014 · Molecular Physics
24. Atomic-Scale Investigation on the Facilitation and Inhibition of Guanine Tautomerization at Au(111) Surface
    Huihui Kong, Qiang Sun, Likun Wang, Qinggang Tan, Chi Zhang, Kai Sheng, Wei Xu · 2014 · ACS Nano
25. Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil
    Gustavo Portalone · 2011 · Chemistry Central Journal
26. Accurate calculations of the oxo–hydroxy tautomers of uracil
    Ian R. Gould, Ian H. Hillier · 1990 · Journal of the Chemical Society Perkin Transactions 2
27. Cisplatin cytotoxicity: a theoretical study of induced mutations
    José P. Cerón‐Carrasco, Denis Jacquemin, Émilie Cauët · 2012 · Physical Chemistry Chemical Physics
28. Photoreaction channels of the guanine–cytosine base pair explored by long-range corrected TDDFT calculations
    Shohei Yamazaki, Tetsuya Taketsugu · 2012 · Physical Chemistry Chemical Physics
29. Proton Transfer in Guanine-Cytosine Base Pairs in B-DNA
    Soler-Polo, Diego, Mendieta-Moreno, Jesús I., Trabada, Daniel G., Mendieta, Jesús, Ortega, José · 2019 · Journal of Chemical Theory and Computation
30. Electronic Excitation Processes in Single-Strand and Double-Strand DNA: A Computational Approach
    Felix Plasser, Adélia J. A. Aquino, Hans Lischka, Dana Nachtigallová · 2014 · Topics in current chemistry
31. Effects of protonation on proton transfer processes in Watson–Crick adenine–thymine base pair
    Marc Noguera-Julián, Mariona Sodupe, J. Bertrán · 2007 · Theoretical Chemistry Accounts
32. π-ELECTRONS IN A SINGLE STRAND OF DNA: A PHENOMENOLOGICAL APPROACH
    Kazumoto Iguchi · 2004 · International Journal of Modern Physics B
33. Structures of Nucleobases Trapped within Au Triangles and Its Effects on Hydrogen Bonding in Base Pairs of DNA
    Pooja Mohan, Ayan Datta, Sairam Swaroop Mallajosyula, Swapan Kumar Pati · 2006 · The Journal of Physical Chemistry B
34. Double proton transfer mechanism in the adenine–uracil base pair and spontaneous mutation in RNA duplex
    José P. Cerón‐Carrasco, Alberto Requena, Éric A. Perpète, Catherine Michaux, Denis Jacquemin · 2009 · Chemical Physics Letters
35. Quantum confinement in an asymmetric double‐well potential through energy analysis and information entropic measure
    Neetik Mukherjee, Amlan K. Roy · 2015 · Annalen der Physik
36. Information entropy as a measure of tunneling and quantum confinement in a symmetric double‐well potential
    Neetik Mukherjee, Arunesh Roy, Amlan K. Roy · 2015 · Annalen der Physik
37. Probable physical mechanisms of the activation of oncogenes through carcinogens
    Janos J. Ladik, Jiřı́ Čı́žek · 1984 · International Journal of Quantum Chemistry
38. Elementary Molecular Mechanisms of the Spontaneous Point Mutations in DNA: A Novel Quantum-Chemical Insight into the Classical Understanding
    Ol’ha O. Brovarets’, Irina N. Kolomiets, D.M. Hovoru · 2012 · InTech eBooks
39. DNA spontaneous mutation and its role in the evolution of GC-content: assessing the impact of the genetic sequence
    José P. Cerón‐Carrasco, Denis Jacquemin · 2015 · Physical Chemistry Chemical Physics
40. Couplings Across the Vibrational Spectrum Caused by Strong Hydrogen Bonds: A Continuum 2D IR Study of the 7-Azaindole–Acetic Acid Heterodimer
    Ashley M. Stingel, Poul Bering Petersen · 2016 · The Journal of Physical Chemistry B
41. Rotation–tunneling analysis of the origin band in the tropolone π*←π absorption system
    Alfredo E. Bracamonte, Patrick H. Vaccaro · 2004 · The Journal of Chemical Physics
42. Quantum Mechanical Energy-Based Screening of Combinatorially Generated Library of Tautomers. TauTGen: A Tautomer Generator Program
    Maciej Harańczyk, Maciej S. Gutowski · 2006 · Journal of Chemical Information and Modeling
43. The tautomers of uracil: A local correlation treatment
    James W. Boughton, Péter Pulay · 1993 · International Journal of Quantum Chemistry
44. Protonation Preferentially Stabilizes Minor Tautomers of the Halouracils: IRMPD Action Spectroscopy and Theoretical Studies
    Kevin T. Crampton, Abdullah Rathur, Y.-w. Nei, Giel Berden, Jos Oomens, M. T. Rodgers · 2012 · Journal of the American Society for Mass Spectrometry
45. Ab initio study of the potential energy functions relevant for hydrogen transfer in formamide, its dimer and its complex with water
    Andrzej L. Sobolewski · 1995 · Journal of Photochemistry and Photobiology A Chemistry
46. Ab initiostudy of the structure of guanine-cytosine base pair conformers in gas phase and polar solvents
    Jan Florián, Jerzy Leszczyński, Steve Scheiner · 1995 · Molecular Physics
47. Direct Observation of Multiple Tautomers of Oxythiamine and their Recognition by the Thiamine Pyrophosphate Riboswitch
    Vipender Singh, Chunte Sam Peng, Deyu Li, Koyel Mitra, Katherine J. Silvestre, Andrei Tokmakoff, John M. Essigmann · 2013 · ACS Chemical Biology
48. Some Recent Developments in the Quantum-Mechanical Studies on the Electronic Structure of the Nucleic Acids
    Bernard Pullman · 1965 · The Journal of Chemical Physics
49. Structural Insights Into Tautomeric Dynamics in Nucleic Acids and in Antiviral Nucleoside Analogs
    Bogdan I. Fedeles, Deyu Li, Vipender Singh · 2022 · Frontiers in Molecular Biosciences
50. Exploring the common molecular basis for the universal DNA mutation bias: Revival of Löwdin mutation model
    Liang-Yu Fu, Guang‐Zhong Wang, Bin‐Guang Ma, Hongyu Zhang · 2011 · Biochemical and Biophysical Research Communications
51. Charge-Transfer ππ* Excited State in the 7-Azaindole Dimer. A Hybrid Configuration Interactions Singles/Time-Dependent Density Functional Theory Description
    Ricard Gelabert, Miquel Moreno, José M. Lluch · 2005 · The Journal of Physical Chemistry A
52. Isotope effect in tunneling and its influence on mutation rates
    Per‐Olov Löwdin · 1965 · Mutation research. Fundamental and molecular mechanisms of mutagenesis
53. The Role of Hydrogen Bonding and Proton Transfer in the Formation of Uracil Networks on the Gold (100) Surface: A Density Functional Theory Approach
    Simona Irrera, Alberto Roldán, Gustavo Portalone, Nora Henriette de Leeuw · 2013 · The Journal of Physical Chemistry C
54. Quantum life science: biological nano quantum sensors, quantum technology-based hyperpolarized MRI/NMR, quantum biology, and quantum biotechnology
    Hiroshi Yukawa, Hidetoshi Kono, Hitoshi Ishiwata, Ryuji Igarashi, Yoichi Takakusagi, Shigeki Arai, Yu Hirano, Tetsuya Suhara, Yoshinobu Baba · 2025 · Chemical Society Reviews
55. Strong Intermolecular Vibrational Coupling through Cyclic Hydrogen-Bonded Structures Revealed by Ultrafast Continuum Mid-IR Spectroscopy
    Ashley M. Stingel, Carmella Calabrese, Poul Bering Petersen · 2013 · The Journal of Physical Chemistry B
56. Nature and possible mechanisms of formation of potential mutations arising at emerging of thymine dimers after irradiation of double-stranded DNA by ultraviolet light
    Helen A. Grebneva · 2003 · Journal of Molecular Structure
57. A New Approach to Protonics in the H-bonded Charge-Transfer Crystals
    T. Mitani · 1989 · Molecular Crystals and Liquid Crystals Incorporating Nonlinear Optics
58. ‘The concept of information in physics’: an interdisciplinary topical lecture
    Thomas Dittrich · 2014 · European Journal of Physics
59. A QM/QTAIM research under the magnifying glass of the DPT tautomerisation of the wobble mispairs involving 2-aminopurine
    Ol’ha O. Brovarets’, Ivan Voiteshenko, Horacio Pérez‐Sánchez, Dmytro М. Hovorun · 2017 · New Journal of Chemistry
60. Electronic Spectra, Excited-State Geometries, and Molecular Electrostatic Potentials of Hypoxanthine: A Theoretical Investigation
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61. Proton Tunneling in Radiation-Induced Mutation
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62. Hydroxylamine and methoxyamine mutagenesis: displacement of the tautomeric equilibrium of the promutagen N6-methoxyadenosine by complementary base pairing
    Ryszard Stolarski, Borys Kierdaszuk, Curt-Eric Hagberg, David Shugar · 1984 · Biochemistry
63. A quantum biochemistry model of the interaction between the estrogen receptor and the two antagonists used in breast cancer treatment
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64. Solvent effect on the intermolecular proton transfer of the Watson and Crick guanine–cytosine and adenine–thymine base pairs: a polarizable continuum model study
    Eduardo E. Romero, Florencio Eloy Hernandez · 2017 · Physical Chemistry Chemical Physics
65. Resonance Raman Spectroscopic and Theoretical Investigation of the Excited State Proton Transfer Reaction Dynamics of 2-Thiopyridone
    Rui Du, Chong Liu, Yanying Zhao, Kemei Pei, Huigang Wang, Xuming Zheng, Ming‐De Li, Jiadan Xue, David Lee Phillips · 2011 · The Journal of Physical Chemistry B
66. Effect of Hydrogen Bonding on Barrier‐Free Proton Transfer in Anionic Complexes of Uracil with Weak Acids: (U…HCN)− versus (U…H2S)−
    Maciej Harańczyk, Janusz Rak, Maciej S. Gutowski, D. Radisic, Sarah T. Stokes, Kit H. Bowen · 2004 · Israel Journal of Chemistry
67. Studies on proton transfers in water clusters and DNA base pairs
    Young Shik Kong, Mu Shik Jhon, Per-Olov L�wdin · 1987 · International Journal of Quantum Chemistry
68. The proton potential in complex hydrogen bonded cations
    John L. Wood · 1973 · Journal of Molecular Structure
69. Atomistic mechanisms of the double proton transfer in the H-bonded nucleobase pairs: QM/QTAIM computational lessons
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70. Excitation wavelength dependent emission of silver( i ) complexes with a pyrimidine ligand
    Nikita A. Shekhovtsov, Katerina A. Vinogradova, Alexey S. Berezin, Taisiya Sergeevna Sukhikh, Viktor P. Krivopalov, Elena B. Nikolaenkova, Mark B. Bushuev · 2020 · Inorganic Chemistry Frontiers
71. Structural dynamics of double-stranded DNA with epigenome modification
    Ayako Furukawa, Erik Walinda, Kyohei Arita, Kenji Sugase · 2020 · Nucleic Acids Research
72. Hydrogen-Bonded Proton Transfer in the Protonated Guanine-Cytosine (GC+H)+ Base Pair
    Yuexia Lin, Hongyan Wang, Simin Gao, Henry F. Schaefer · 2011 · The Journal of Physical Chemistry B
73. Excited-State Double-Proton Transfer on 3-Methyl-7-azaindole in a Single Crystal: Deuterium Isotope/Tunneling Effect
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74. A hypothetical mathematical construct explaining the mechanism of biological amplification in an experimental model utilizing picoTesla (PT) electromagnetic fields
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75. Structure of protonated thymidine characterized by infrared multiple photon dissociation and quantum calculations
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76. Structural grounds for the 2-aminopurine mutagenicity: a novel insight into the old problem of the replication errors
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77. Functional Tensor-Train Chebyshev Method for Multidimensional Quantum Dynamics Simulations
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78. Anion of the formic acid dimer as a model for intermolecular proton transfer induced by a π* excess electron
    Rafał Adam Bachorz, Maciej Harańczyk, Iwona Dąbkowska, Janusz Rak, Maciej S. Gutowski · 2005 · The Journal of Chemical Physics
79. Proton transfer dynamics in the first excited singlet state of malonaldehyde
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80. Quantum Theory of DNA Summary of Results and Study Program
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81. An exploration of electronic structure and nuclear dynamics in tropolone: II. The A B12 (π∗π) excited state
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82. Vibrational specificity of proton-transfer dynamics in ground-state tropolone
    Daniel Murdock, Lori A. Burns, Patrick H. Vaccaro · 2010 · Physical Chemistry Chemical Physics
83. Tautomerism and Proton Transfer in 6-Selenoguanine: A Post Hartree−Fock Level ab Initio SCF-MO Investigation
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84. Quantum tunnelling in DNA
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85. DNA as a mediator for proton, electron and energy transfer induced by metal ions
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86. Some Effective Tight-Binding Models for Electrons in DNA Conduction: A Review
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87. Potential energy curves in complementary base pairs and in model hydrogen bonded systems
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88. A mechanism for keeping mutations in check
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89. Crafting Fast and Efficient H 2 Evolution Electrocatalysts with Tactical Inclusion of Nucleobases
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90. Heavy N+ ion transfer in doubly charged N2Ar van der Waals cluster
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91. Carboxylic Acid Catalyzed Keto‐Enol Tautomerizations in the Gas Phase
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92. DNA Polymerase λ Active Site Favors a Mutagenic Mispair between the Enol Form of Deoxyguanosine Triphosphate Substrate and the Keto Form of Thymidine Template: A Free Energy Perturbation Study
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93. The influence of external electric fields on proton transfer tautomerism in the guanine–cytosine base pair
    Alexander Gheorghiu, Peter V. Coveney, Alya A. Arabi · 2021 · Physical Chemistry Chemical Physics
94. A Kinetic Approach to Double Proton Transfer in Watson–Crick DNA Base Pairs
    Keisho Umesaki, Kei Odai · 2020 · The Journal of Physical Chemistry B
95. An exploration of electronic structure and nuclear dynamics in tropolone. I. The XA11 ground state
    Lori A. Burns, Daniel Murdock, Patrick H. Vaccaro · 2006 · The Journal of Chemical Physics
96. Potential Energy Hypersurfaces for Hydrogen Bonded Clusters (HF) n
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97. Quantum mechanical model for information transfer from DNA to protein
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98. The Formic Acid–Nitric Acid Complex: Microwave Spectrum, Structure, and Proton Transfer
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99. Is UV-Induced Electron-Driven Proton Transfer Active in a Chemically Modified A·T DNA Base Pair?
    Katharina Röttger, Hugo J. B. Marroux, Arsène Chemin, Emma Elsdon, Thomas A. A. Oliver, Steven T. G. Street, Alexander S. Henderson, M. Carmen Galán, Andrew J. Orr‐Ewing, Gareth M. Roberts · 2017 · The Journal of Physical Chemistry B
100. Fingerprints of Both Watson–Crick and Hoogsteen Isomers of the Isolated (Cytosine-Guanine)H+ Pair
     Andrés F. Cruz‐Ortiz, Maximiliano Rossa, Francis Berthias, Matías Berdakin, Philippe Maı̂tre, Gustavo Ariel Pino · 2017 · The Journal of Physical Chemistry Letters