Quantum theory of a potential biological magnetic field sensor: Radical pair mechanism in flavin adenine dinucleotide biradicals
Recent studies in vitro and in vivo suggest that flavin adenine dinucleotide (FAD) on its own might be able to act as a biological magnetic field sensor. Motivated by these observations, in this study, we develop a detailed quantum theoretical model for the radical pair mechanism (RPM) for the flavi...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-12-01
|
| Series: | Computational and Structural Biotechnology Journal |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2001037024004033 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1850053800076771328 |
|---|---|
| author | Amirhosein Sotoodehfar Rishabh Hadi Zadeh-Haghighi Christoph Simon |
| author_facet | Amirhosein Sotoodehfar Rishabh Hadi Zadeh-Haghighi Christoph Simon |
| author_sort | Amirhosein Sotoodehfar |
| collection | DOAJ |
| description | Recent studies in vitro and in vivo suggest that flavin adenine dinucleotide (FAD) on its own might be able to act as a biological magnetic field sensor. Motivated by these observations, in this study, we develop a detailed quantum theoretical model for the radical pair mechanism (RPM) for the flavin adenine biradical within the FAD molecule. We use the results of existing molecular dynamics simulations to determine the time-varying distance between the radicals on FAD, which we then feed into a quantum master equation treatment of the RPM. In contrast to previous semi-classical models, which are limited to the low-field and high-field cases, our quantum model can predict the full magnetic field dependence of the transient absorption signal. Our model's predictions are consistent with experiments at physiological pH values. |
| format | Article |
| id | doaj-art-ebecec60c31642b093b3c7a367e52f95 |
| institution | DOAJ |
| issn | 2001-0370 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Computational and Structural Biotechnology Journal |
| spelling | doaj-art-ebecec60c31642b093b3c7a367e52f952025-08-20T02:52:26ZengElsevierComputational and Structural Biotechnology Journal2001-03702024-12-0126707710.1016/j.csbj.2024.11.032Quantum theory of a potential biological magnetic field sensor: Radical pair mechanism in flavin adenine dinucleotide biradicalsAmirhosein Sotoodehfar0 Rishabh1Hadi Zadeh-Haghighi2Christoph Simon3Department of Physics and Astronomy, University of Calgary, Calgary, AB, T2N 1N4, Canada; Institute for Quantum Science and Technology, University of Calgary, Calgary, AB, T2N 1N4, Canada; Hotchkiss Brain Institute, University of Calgary, Calgary, AB, T2N 1N4, CanadaDepartment of Physics and Astronomy, University of Calgary, Calgary, AB, T2N 1N4, Canada; Institute for Quantum Science and Technology, University of Calgary, Calgary, AB, T2N 1N4, Canada; Hotchkiss Brain Institute, University of Calgary, Calgary, AB, T2N 1N4, CanadaDepartment of Physics and Astronomy, University of Calgary, Calgary, AB, T2N 1N4, Canada; Institute for Quantum Science and Technology, University of Calgary, Calgary, AB, T2N 1N4, Canada; Hotchkiss Brain Institute, University of Calgary, Calgary, AB, T2N 1N4, CanadaDepartment of Physics and Astronomy, University of Calgary, Calgary, AB, T2N 1N4, Canada; Institute for Quantum Science and Technology, University of Calgary, Calgary, AB, T2N 1N4, Canada; Hotchkiss Brain Institute, University of Calgary, Calgary, AB, T2N 1N4, Canada; Corresponding author.Recent studies in vitro and in vivo suggest that flavin adenine dinucleotide (FAD) on its own might be able to act as a biological magnetic field sensor. Motivated by these observations, in this study, we develop a detailed quantum theoretical model for the radical pair mechanism (RPM) for the flavin adenine biradical within the FAD molecule. We use the results of existing molecular dynamics simulations to determine the time-varying distance between the radicals on FAD, which we then feed into a quantum master equation treatment of the RPM. In contrast to previous semi-classical models, which are limited to the low-field and high-field cases, our quantum model can predict the full magnetic field dependence of the transient absorption signal. Our model's predictions are consistent with experiments at physiological pH values.http://www.sciencedirect.com/science/article/pii/S2001037024004033 |
| spellingShingle | Amirhosein Sotoodehfar Rishabh Hadi Zadeh-Haghighi Christoph Simon Quantum theory of a potential biological magnetic field sensor: Radical pair mechanism in flavin adenine dinucleotide biradicals Computational and Structural Biotechnology Journal |
| title | Quantum theory of a potential biological magnetic field sensor: Radical pair mechanism in flavin adenine dinucleotide biradicals |
| title_full | Quantum theory of a potential biological magnetic field sensor: Radical pair mechanism in flavin adenine dinucleotide biradicals |
| title_fullStr | Quantum theory of a potential biological magnetic field sensor: Radical pair mechanism in flavin adenine dinucleotide biradicals |
| title_full_unstemmed | Quantum theory of a potential biological magnetic field sensor: Radical pair mechanism in flavin adenine dinucleotide biradicals |
| title_short | Quantum theory of a potential biological magnetic field sensor: Radical pair mechanism in flavin adenine dinucleotide biradicals |
| title_sort | quantum theory of a potential biological magnetic field sensor radical pair mechanism in flavin adenine dinucleotide biradicals |
| url | http://www.sciencedirect.com/science/article/pii/S2001037024004033 |
| work_keys_str_mv | AT amirhoseinsotoodehfar quantumtheoryofapotentialbiologicalmagneticfieldsensorradicalpairmechanisminflavinadeninedinucleotidebiradicals AT rishabh quantumtheoryofapotentialbiologicalmagneticfieldsensorradicalpairmechanisminflavinadeninedinucleotidebiradicals AT hadizadehhaghighi quantumtheoryofapotentialbiologicalmagneticfieldsensorradicalpairmechanisminflavinadeninedinucleotidebiradicals AT christophsimon quantumtheoryofapotentialbiologicalmagneticfieldsensorradicalpairmechanisminflavinadeninedinucleotidebiradicals |