Proton Tunneling in DNA and its Biological Implications

Cited by (656)

Items 201–300 of 656

1. Electron correlated and density functional studies on hydrogen-bonded proton transfer in adenine–thymine base pair of DNA
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2. Spectroscopic and theoretical study of vibrational spectra of hydrogen-bonded tropolone
   Marek J. W�jcik, Marek Boczar, Marzena Stoma · 1999 · International Journal of Quantum Chemistry
3. Quantum chemical studies on the conformational structure of nucleic acids I. Extended Hückel calculations on d-ribose phosphate
   Girjesh Govil, Anil Saran · 1971 · Journal of Theoretical Biology
4. Direct evidence for co-operative proton tunneling in the solid state
   G. Aiello, M. U. Palma, Franco Persico · 1964 · Physics Letters
5. Environmental and Nuclear Quantum Effects on Double Proton Transfer in the Guanine–Cytosine Base Pair
   Federica Angiolari, Simon Huppert, Fabio Pietrucci, Riccardo Spezia · 2023 · The Journal of Physical Chemistry Letters
6. Mechanisms for guanine–cytosine tautomeric equilibrium in solution via steered molecular dynamic simulations
   Santiago Tolosa, J.A. Sansón, A. Hidalgo · 2017 · Journal of Molecular Liquids
7. Solvent effects on the excited-state double proton transfer mechanism in the 7-azaindole dimer: a TDDFT study with the polarizable continuum model
   Xue-fang Yu, Shohei Yamazaki, Tetsuya Taketsugu · 2017 · Physical Chemistry Chemical Physics
8. Ionization‐Induced Proton Transfer in Model DNA Base Pairs: A Theoretical Study of the Radical Ions of the 7‐Azaindole Dimer
   Hsing‐Yin Chen, Ito Chao · 2004 · ChemPhysChem
9. Structures of [M(Ura‐H)(H2O)n]+ (M = Mg, Ca, Sr, Ba; n = 1–3) complexes in the gas phase by IRMPD spectroscopy and theoretical studies
   Barry Power, Violette Haldys, Jean‐Yves Salpin, Travis D. Fridgen · 2016 · Journal of Mass Spectrometry
10. Solvent Effects in the Excited-State Tautomerization of 7-Azaindole: A Theoretical Study
    Hua Fang, Yongho Kim · 2011 · The Journal of Physical Chemistry B
11. Novel pathway for mutagenic tautomerization of classical А∙Т DNA base pairs via sequential proton transfer through quasi-orthogonal transition states: A QM/QTAIM investigation
    Ol’ha O. Brovarets’, Kostiantyn S. Tsiupa, Dmytro М. Hovorun · 2018 · PLoS ONE
12. Tautomerism of Guanine Analogues
    Jakub Radek Štoček, Martin Dračínský · 2020 · Biomolecules
13. Some aspects of objectivity and reality in modern science
    Per‐Olov Löwdin · 1992 · Foundations of Physics
14. Electron Attachment to the Guanine–Cytosine Nucleic Acid Base Pair and the Effects of Monohydration and Proton Transfer
    Ashutosh Kumar Gupta, Heather M. Jaeger, Katherine R. Compaan, Henry F. Schaefer · 2012 · The Journal of Physical Chemistry B
15. Marcus model of spontaneous point mutation in DNA
    N. N. Turaeva, Victoria Brown-Kennerly · 2015 · Chemical Physics
16. Sequence-dependent proton-transfer reaction in stacked GC pair II: The origin of stabilities of proton-transfer products
    Toru Matsui, Takeshi Sato, Yasuteru Shigeta, Kimihiko Hirao · 2009 · Chemical Physics Letters
17. Electron magnetic resonance and SQUID measurement study of natural A -DNA in dry state
    Chang Hoon Lee, Young‐Wan Kwon, Eui-Doo Do, Dong-Hoon Choi, Jung Il Jin, Dong Keun Oh, Joon Kim · 2006 · Physical Review B
18. Prototropic changes in cationic base‐pair adducts. I. Guanine protonation
    George P. Ford, Bingze Wang · 1992 · International Journal of Quantum Chemistry
19. How reliable are calculations on proton tunneling?
    A. Agresti, Mauro Bacci, Anedio Ranfagni · 1981 · Chemical Physics Letters
20. Chronobiology Meets Quantum Biology: A New Paradigm Overlooking the Horizon?
    Gianluigi Mazzoccoli · 2022 · Frontiers in Physiology
21. Nuclear Quantum Effects Made Accessible: Local Density Fitting in Multicomponent Methods
    Lukas Hasecke, Ricardo A. Mata · 2023 · Journal of Chemical Theory and Computation
22. Electron density analysis of tautomeric mechanisms of adenine, thymine and guanine and the pairs of thymine with adenine or guanine
    Luis Mejía-Mazariegos, Jesús Hernández‐Trujillo · 2009 · Chemical Physics Letters
23. Structures of bare and singly hydrated [M(Ura-H)(Ura)]+ (M = Mg, Ca, Sr, Ba) complexes in the gas phase by IRMPD spectroscopy in the fingerprint region
    Barry Power, Violette Haldys, Jean‐Yves Salpin, Travis D. Fridgen · 2014 · International Journal of Mass Spectrometry
24. Theoretical study of proton tunneling in the excited state of tropolone
    Marek Janusz Wójcik, Łukasz Boda, Marek Boczar · 2009 · The Journal of Chemical Physics
25. A theoretical study of the infrared spectra of guanine tautomers
    Ian R. Gould, Mark A. Vincent, Ian H. Hillier · 1993 · Spectrochimica Acta Part A Molecular Spectroscopy
26. Interband optical transitions in DNA-like systems
    Elena Díaz, A. V. Malyshev, Francisco Domínguez-Adame · 2007 · Physical Review B
27. Theory of mutations. II. Physical model of genetic stability
    Willis Grant Cooper · 1978 · International Journal of Quantum Chemistry
28. Molecular Interactions in Ground and Excited States
    Keiji Morokuma, Suehiro Iwata, William A. Lathan · 1974 · Springer eBooks
29. Unexpected Routes of the Mutagenic Tautomerization of the T Nucleobase in the Classical A·T DNA Base Pairs: A QM/QTAIM Comprehensive View
    Ol’ha O. Brovarets’, Kostiantyn S. Tsiupa, Andrii Dinets, Dmytro М. Hovorun · 2018 · Frontiers in Chemistry
30. A QM/QTAIM microstructural analysis of the tautomerisationviathe DPT of the hypoxanthine·adenine nucleobase pair
    Ol’ha O. Brovarets’, Roman O. Zhurakivsky, Dmytro М. Hovorun · 2014 · Molecular Physics
31. Theoretical Studies for Excited-State Tautomerization in the 7-Azaindole–(CH3OH)n (n = 1 and 2) Complexes in the Gas Phase
    Hua Fang, Yongho Kim · 2011 · The Journal of Physical Chemistry A
32. DFT studies on the favored and rare tautomers of neutral and redox cytosine
    Ewa D. Raczyńska, Mariusz Sapuła, Katarzyna Zientara‐Rytter, Katarzyna Kolczyńska, Tomasz Maciej Stępniewski, Małgorzata Hallmann · 2015 · Structural Chemistry
33. Quantum chemical studies on molecular mechanism of mutations
    W. Andrzej Sokalski, Hubert Romanowski, Andrzej Jaworski · 1977 · Advances in Molecular Relaxation and Interaction Processes
34. Novel Tautomerisation Mechanisms of the Biologically Important Conformers of the Reverse Löwdin, Hoogsteen, and Reverse Hoogsteen G*·C* DNA Base Pairs via Proton Transfer: A Quantum-Mechanical Survey
    Ol’ha O. Brovarets’, Timothy A. Oliynyk, Dmytro М. Hovorun · 2019 · Frontiers in Chemistry
35. A biophysical approach to cancer dynamics: Quantum chaos and energy turbulence
    Abicumaran Uthamacumaran · 2017 · Biosystems
36. Nickel Adatoms Induced Tautomeric Dehydrogenation of Thymine Molecules on Au(111)
    Huihui Kong, Chi Zhang, Qiang Sun, Xin Yu, Lei Xie, Likun Wang, Lei Li, Shanwei Hu, Huanxin Ju, Yunbin He et al. · 2018 · ACS Nano
37. Mass spectrometry and computational study of collision-induced dissociation of 9-methylguanine–1-methylcytosine base-pair radical cation: intra-base-pair proton transfer and hydrogen transfer, non-statistical dissociation, and reaction with a water ligand
    Yan Sun, May Myat Moe, Jianbo Liu · 2020 · Physical Chemistry Chemical Physics
38. Double Proton Transfer Across a Table: The Formic Acid Dimer–Fluorobenzene Complex
    Weixing Li, Denis S. Tikhonov, Melanie Schnell · 2021 · Angewandte Chemie International Edition
39. A Quantum Vaccinomics Approach Based on Protein–Protein Interactions
    Marinela Contreras, Sara Artigas-Jerónimo, Juan José Pastor Comín, José de la Fuente · 2021 · Methods in molecular biology
40. Time and Time Reversal Symmetry in Quantum Chemical Kinetics
    Martin Qüack · 2004 · Springer eBooks
41. Energy Barrier Reduction for the Double Proton-Transfer Reaction in Guanine–Cytosine DNA Base Pair on a Gold Surface
    R. R. Q. Freitas, Roberto Rivelino, F. de Brito Mota, Gueorgui Kostov Gueorguiev, C.M.C. de Castilho · 2015 · The Journal of Physical Chemistry C
42. Sequence dependent proton‐transfer reaction in stacked GC pair I: The possibility of proton‐transfer reactions
    Toru Matsui, Takeshi Sato, Yasuteru Shigeta · 2009 · International Journal of Quantum Chemistry
43. A time-dependent quantum dynamics investigation of the guanine-cytosine system: A six-dimensional model
    GIOVANNI QUINTO VILLANI · 2008 · The Journal of Chemical Physics
44. Theoretical study of the hydrogen bond interaction between methylene blue and water and possible role on energy transfer for photodynamics
    Andréa Dias Quintão, Kaline Coutinho, Sylvio Canuto · 2002 · International Journal of Quantum Chemistry
45. Parallelism in computational chemistry: Applications in quantum and statistical mechanics
    Enrico Clementi, Giorgina Corongiu, John H. Detrich, H. Kahnmohammadbaigi, S. Chin, Llorenç Domingo, Aatto Laaksonen, Ngoc Linh Nguyen · 1985 · Physica B+C
46. Ab initio investigation of the simultaneous motion of protons in the hydrogen bonds in the cyclic dimer of formamide
    Rudolf Janoschek · 1973 · Theoretical Chemistry Accounts
47. Theoretical thermodynamic study of the adenine-thymine tautomeric equilibrium: Electronic structure calculations and steered molecular dynamic simulations
    Santiago Tolosa, J.A. Sansón, Antonio Hidalgo · 2017 · International Journal of Quantum Chemistry
48. The Pauli principle and the confinement of electron pairs in a double well: Aspects of electronic bonding under pressure
    Trinidad Novoa, Julia Contreras‐García, Patricio Fuentealba, Carlos Cárdenas · 2019 · The Journal of Chemical Physics
49. Dispersed fluorescence spectroscopy of 2-hydroxypyridine and its cyclically hydrogen-bonded water clusters in the gas phase: An examination of occurrence of excited-state proton transfer
    Kenji Sakota, Shihomi Tokuhara, Hiroshi Sekiya · 2007 · Chemical Physics Letters
50. Detection and Automatic Repair of Nucleotide Base-Pair Mutations by Coherent Light
    Ioannis Thanopulos, Moshe Shapiro · 2005 · Journal of the American Chemical Society
51. Intermolecular interactions, proton-transfer and charge-transfer transitions in biological hydrogen-bonded systems: thioguanine-cytosine, adenine-5-fluoro(bromo)-uracil, Mg2+-guanine-cytosine complexes and cis-Pt(NH3)22+-thioguanine (guanine)
    Józef Lipiński · 1989 · Journal of Molecular Structure THEOCHEM
52. Semantic parsing of the life process by quantum biology
    Jing Feng, Bo Song, Yiguo Zhang · 2022 · Progress in Biophysics and Molecular Biology
53. Quantum tunnelling in the context of SARS-CoV-2 infection
    Betony Adams, Ilya Sinayskiy, Rienk van Grondelle, Francesco Petruccione · 2022 · Scientific Reports
54. A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals
    Anton V. Sinitskiy, Gregory A. Voth · 2015 · The Journal of Chemical Physics
55. From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics
    Karsten Kreis, Kurt Kremer, Raffaello Potestio, Mark E. Tuckerman · 2017 · The Journal of Chemical Physics
56. Renaissance of the Tautomeric Hypothesis of the Spontaneous Point Mutations in DNA: New Ideas and Computational Approaches
    Ol’ha O. Brovarets’, Dmytro М. Hovorun · 2018 · InTech eBooks
57. Density functional theory studies on cytosine analogues for inducing double-proton transfer with guanine
    Jinjie Xue, Xingping Guo, Xingbao Wang, Yafeng Xiao · 2020 · Scientific Reports
58. Quantum-chemical studies on the favored and rare isomers of isocytosine
    Ewa D. Raczyńska · 2017 · Computational and Theoretical Chemistry
59. A theoretical study of the infrared spectrum of uracil
    Ian R. Gould, Mark A. Vincent, Ian H. Hillier · 1992 · Journal of the Chemical Society Perkin Transactions 2
60. Coherent states as consequences of keto‐amino→ enol‐imine hydrogen bond arrangements driven by quantum uncertainty limits on amino DNA protons
    W. Grant Cooper · 2012 · International Journal of Quantum Chemistry
61. Theoretical Study of Multidimensional Proton Tunnelling in Benzoic Acid Dimer
    Marek Janusz Wójcik, Krzysztof Szczeponek, Marek Boczar · 2003 · International Journal of Molecular Sciences
62. Tunnelling of electrons via the neighboring atom
    Ming Zhu, Jihong Tong, Xiwang Liu, Weifeng Yang, Xiaochun Gong, Wenyu Jiang, Peifen Lu, Hui Li, Xiaohong Song, Jian Wu · 2024 · Light Science & Applications
63. Steered molecular dynamic simulations of the tautomeric equilibria in solution of DNA bases
    Santiago Tolosa, J.P. Sánchez, J.A. Sansón, A. Hidalgo · 2017 · Journal of Molecular Liquids
64. UV and Resonance Raman Spectroscopic and Theoretical Studies on the Solvent-Dependent Ground and Excited-State Thione → Thiol Tautomerization of 4,6-Dimethyl-2-mercaptopyrimidine (DMMP)
    Xin Liu, Xin Fang Wei, Haiqiang Zhou, Shuang Ming Meng, Yanying Zhao, Jiadan Xue, Xuming Zheng · 2018 · The Journal of Physical Chemistry A
65. Atomic and Molecular Tunneling Processes in Chemistry
    Martin Qüack, Georg Seyfang · 2020 · Elsevier eBooks
66. Electromagnetic bioeffects: a multiscale molecular simulation perspective
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67. Optical control of molecular switches
    Ioannis Thanopulos, Petr Král, M. Shapiro, Emmanuel Paspalakis · 2008 · Journal of Modern Optics
68. Mode-specific tunneling dynamics in the ground electronic state of tropolone
    Daniel Murdock, Lori A. Burns, Patrick H. Vaccaro · 2007 · The Journal of Chemical Physics
69. A review on the information content of the pair density as a tool for the description of the electronic properties in molecular systems
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70. TUNNELING OF PROTONS AND TAUTOMERIC TRANSITIONS IN BASE PAIRS OF DNA
    Voislav L. Golo, YU. S. VOLKOV · 2003 · International Journal of Modern Physics C
71. 2-(2′-Pyridyl)pyrroles: Part I. Structure and energetics of pyridylpyrroles, their dimers, complexes and excited states
    Sarah J. Schmidtke, Laura A. MacManus‐Spencer, Jamie J. Klappa, T. Andrew Mobley, Kristopher McNeill, David A. Blank · 2004 · Physical Chemistry Chemical Physics
72. Adenine–thymine tautomerization under the influence of strong homogeneous electric fields
    Alya A. Arabi, Cherif Farid Matta · 2018 · Physical Chemistry Chemical Physics
73. Proton transference in hydrogen bonded systems. I. Uracil tautomerism
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74. Proton Transfer in Hydrogen Bond
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75. π-Electronic Structures of DNA-Bases with Normal, Tautomeric and Ionized Forms
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76. A quantum physics layer of epigenetics: a hypothesis deduced from charge transfer and chirality-induced spin selectivity of DNA
    Reiner Siebert, Ole Ammerpohl, Mirko Rossini, Dennis Herb, Sven Rau, Martin Bodo Plenio, Fedor Jelezko, Joachim Ankerhold · 2023 · Clinical Epigenetics
77. Kinetic Study of Transition Mutations from G–C to A–T Base Pairs in Watson–Crick DNA Base Pairs: Double Proton Transfers
    Kei Odai, Keisho Umesaki · 2021 · The Journal of Physical Chemistry A
78. Quantum vaccinomics platforms to advance in vaccinology
    José de la Fuente, Marinela Contreras · 2023 · Frontiers in Immunology
79. Quantum entanglement shared in hydrogen bonds and its usage as a resource in molecular recognition
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80. 2-(2′-Pyridyl)pyrroles: Part II. Spectroscopic investigation of pyridylpyrrole alcohol complexes
    Laura A. MacManus‐Spencer, Sarah J. Schmidtke, David A. Blank, Kristopher McNeill · 2004 · Physical Chemistry Chemical Physics
81. Imaging of the umbrella motion and tunneling in ammonia molecules by strong-field ionization
    Johann Förster, Étienne Plésiat, Álvaro Magaña, Alejandro Sáenz · 2016 · Physical Review A
82. A dynamic quantum mechanical model for the elementary act of spontaneous and induced mutations
    Revaz Romanovich Dogonadze, Yu.I. Kharkats, Jens Ulstrup · 1976 · Chemical Physics Letters
83. Structural and energetic properties of the four configurations of the А•Т and G•C DNA base pairs
    Ol’ha O. Brovarets’ · 2013 · The Ukrainian Biochemical Journal
84. Hydrogen Tunneling in Stoichiometric and Catalytic Reactions involving Transition Metals
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85. A priori selected configuration interaction with truncation energy error, general sensitivity analysis and application to the Ne atom
    Carlos F. Bunge · 2010 · Molecular Physics
86. The A·T(rWC)/A·T(H)/A·T(rH) ↔ A·T*(rw WC )/A·T*(w H )/A·T*(rw H ) mutagenic tautomerization via sequential proton transfer: a QM/QTAIM study
    Ol’ha O. Brovarets’, Kostiantyn S. Tsiupa, Dmytro М. Hovorun · 2018 · RSC Advances
87. Ultraviolet–visible study on acid–base equilibria of 2-substituted-4(3H)-quinazolinones
    Yoke‐Leng Sim, Noridayu Omer, Mohammad Niyaz Khan, Lawrence Michael Pratt · 2013 · Tetrahedron
88. Microhydration of 9-methylguanine:1-methylcytosinebase pair and its radical anion: a density functional theory study
    Hsing‐Yin Chen, Sodio C. N. Hsu, Chai‐Lin Kao · 2009 · Physical Chemistry Chemical Physics
89. Investigation of the double-well potential of the NH⋯N hydrogen bond of the guanine-cytosine base pair for different NN distances
    Durgesh K. Rai, Janos J. Ladik · 1968 · Journal of Molecular Spectroscopy
90. Under what conditions does G•C watson-crick DNA base pair acquire all four configurations characteristic for A•T watson-crick DNA base pair?
    Ol’ha O. Brovarets’ · 2013 · The Ukrainian Biochemical Journal
91. What Is life? Rethinking Biology in Light of Fundamental Parameters
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92. The Quantum Paradox in Pharmaceutical Science: Understanding Without Comprehending—A Centennial Reflection
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93. UV‐Light‐Induced Hydrogen Transfer in Guanosine–Guanosine Aggregates
    Katharina Hunger, Laura Buschhaus, Lars Biemann, Michaela Braun, Sergey A. Kovalenko, Roberto Improta, Karl Kleinermanns · 2013 · Chemistry - A European Journal
94. Quantum Tunneling Mediated Interfacial Synthesis of a Benzofuran Derivative
    Tobias Paintner, Jonas Björk, Ping Du, Svetlana V. Klyatskaya, Mateusz Paszkiewicz, Raphael Hellwig, Martin Uphoff, Murat Anil Öner, Edoardo Cuniberto, Peter S. Deimel et al. · 2019 · Angewandte Chemie International Edition
95. A simplistic computational procedure for tunneling splittings caused by proton transfer
    Denis S. Tikhonov · 2021 · Structural Chemistry
96. Environment-induced dephasing versus von Neumann measurements in proton tunneling
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97. Computation of polarizability, hyper-polarizability and hardness as descriptor for enol–keto tautomerizations of 2-hydroxy pyridines
    Hasibul Beg, Debasish Das, Sankarlal Ash, Ajay Misra · 2013 · Computational and Theoretical Chemistry
98. Structures of [M(Ura-H)(Ura)]+ and [M(Ura-H)(H2O)n]+ (M = Cu, Zn, Pb; n = 1–3) complexes in the gas phase by IRMPD spectroscopy in the fingerprint region and theoretical studies
    Barry Power, Violette Haldys, Jean‐Yves Salpin, Travis D. Fridgen · 2017 · International Journal of Mass Spectrometry
99. Influence of Electron–Holes on DNA Sequence-Specific Mutation Rates
    Martha Villagrán, Ricardo B. R. Azevedo, John H. Miller · 2018 · Genome Biology and Evolution
100. Modeling the action of environment on proton tunneling in the adenine–thymine base pair
     Ashkan Shekaari, Mahmoud Jafari · 2019 · Progress in Biophysics and Molecular Biology