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Modelling proton tunnelling in the adenine–thymine base pair

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Godbeer, A. D., Al-Khalili, J. S., Stevenson, P. D.·2015·Physical Chemistry Chemical Physics
DOI 10.1039/c5cp00472a
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Abstract

Environment-assisted quantum tunnelling is unlikely to play a significant role in adenine–thymine tautomerisation.

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Crossref · 10.1039/c5cp00472a

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  • Crucial quantum effects such as decoherence and dissipation are not treated correctly in adiabatic, thermally uncoupled models of tunnelling.

    “However, it is well known that crucial quantum effects such as decoherence and dissipation are not treated correctly in adiabatic, thermally uncoupled models of tunnelling 6,18 .”

    From An open quantum systems approach to proton tunnelling in DNA (2022) · cites this paper as [6]

    Section 4 (page not provided) adds an environment-coupled Lindblad term to model dissipation, and Section 5 says that without it, a proton initially in the ground state would not tunnel. This supports the importance of dissipative coupling in this model, but our copy does not establish the broader claim that adiabatic, thermally uncoupled models treat both decoherence and dissipation incorrectly. (LLM, conf=0.79)

    Experimental — accuracy not yet measured

  • The approach of inserting the PES calculated from density functional theory into an OQS Hamiltonian has been successfully used before for proton transfer reactions.

    “The approach of inserting the PES calculated from density functional theory into an OQS Hamiltonian has been successfully used before for proton transfer reactions 6 .”

    From An open quantum systems approach to proton tunnelling in DNA (2022) · cites this paper as [6]

  • Theoretical and experimental approaches have explored the role of proton tunnelling in the generation of DNA base tautomers.

    “Theoretical and experimental approaches have also explored the role of proton tunnelling in the generation of DNA base tautomers [14].”

    From The origins of quantum biology (2018) · cites this paper as [14]

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Cites

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Research works printed but not linked: 57

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Authors
Godbeer, A. D., Al-Khalili, J. S., & Stevenson, P. D.
Affiliations
University of Surrey (GB)
Corresponding author
Al-Khalili, J. S.
ORCID
Venue
Physical Chemistry Chemical Physics
Publisher
Royal Society of Chemistry (RSC)
Published
2015
Volume
17
Issue
19
Pages
13034-13044
ISSN
  • 1463-9076 (ISSN-L)
  • 1463-9084
DOI
10.1039/c5cp00472a
OpenAlex
W2100243839
Cited by
78
References
69
Citations by year
2026: 4 · 2025: 11 · 2024: 10 · 2023: 7 · 2022: 5 · 2021: 11 · 2020: 10 · 2019: 5 · 2018: 6 · 2017: 2 · 2016: 3 · 2015: 4
FWCI
2.17
Type
journal article
Language
en
Open access
Licence
cc-by
Locations
  • Physical Chemistry Chemical Physics (publishedVersion, cc-by)
  • PubMed (publishedVersion)
  • Surrey Research Insight Open Access (The University of Surrey) (submittedVersion)
  • Open Research (University of Surrey) (submittedVersion)
Funders
Science and Technology Facilities Council (ST/J000051/1, ST/L005743/1)
Topics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › DNA and Nucleic Acid Chemistry
  • Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Spectroscopy and Quantum Chemical Studies
  • Physical Sciences › Chemistry › Physical and Theoretical Chemistry › Photochemistry and Electron Transfer Studies
Keywords
proton tunneling, adenine-thymine base pair, tautomerism, double-well potential
MeSH terms
Adenine, Hydrogen Bonding, Models, Molecular, Protons, Quantum Theory, Thermodynamics, Thymine, Time Factors, Base Pairing

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