Dr Daniel Kattnig Associate Professor D.R.Kattnig@exeter.ac.uk Living Systems Institute/ Systems Block Groups: Kattnig Group University profile 0000-0003-4236-2627 Publications Publications 2024 Avian cryptochrome 4 binds superoxide Journal: Computational and Structural Biotechnology Journal Published: 30/11/2024 DOI: 10.1016/j.csbj.2023.12.009 URL: https://doi.org/10.1016/j.csbj.2023.12.009 Towards a molecular picture of the archaeal cell surface Journal: Nature Communications Published: 29/11/2024 DOI: 10.1038/s41467-024-53986-9 URL: https://doi.org/10.1038/s41467-024-53986-9 Simulating spin biology using a digital quantum computer: Prospects on a near-term quantum hardware emulator Journal: APL Quantum Published: 01/09/2024 DOI: 10.1063/5.0213120 URL: https://doi.org/10.1063/5.0213120 On the optimality of the radical-pair quantum compass Journal: Quantum Science and Technology Published: 01/07/2024 DOI: 10.1088/2058-9565/ad48b4 URL: https://doi.org/10.1088/2058-9565/ad48b4 Structural Rearrangements of Pigeon Cryptochrome 4 Undergoing a Complete Redox Cycle Journal: The Journal of Physical Chemistry B Published: 25/04/2024 DOI: 10.1021/acs.jpcb.4c00424 URL: https://doi.org/10.1021/acs.jpcb.4c00424 Quantum Control of Radical-Pair Dynamics beyond Time-Local Optimization Journal: PRX Quantum Published: 04/04/2024 DOI: 10.1103/PRXQuantum.5.020303 URL: https://doi.org/10.1103/PRXQuantum.5.020303 2023 Modeling spin relaxation in complex radical systems using MolSpin Journal: Journal of Computational Chemistry Published: 15/07/2023 DOI: 10.1002/jcc.27120 URL: https://doi.org/10.1002/jcc.27120 Magnetoreception in cryptochrome enabled by one-dimensional radical motion Journal: AVS Quantum Science Published: 31/05/2023 DOI: 10.1116/5.0142227 URL: https://doi.org/10.1116/5.0142227 The Biological Qubit: Calcium Phosphate Dimers, Not Trimers Journal: The Journal of Physical Chemistry Letters Published: 16/03/2023 DOI: 10.1021/acs.jpclett.2c03945 URL: https://doi.org/10.1021/acs.jpclett.2c03945 2022 Effects of Dynamical Degrees of Freedom on Magnetic Compass Sensitivity: A Comparison of Plant and Avian Cryptochromes Journal: Journal of the American Chemical Society Published: 21/12/2022 DOI: 10.1021/jacs.2c06233 URL: https://doi.org/10.1021/jacs.2c06233 Driven Radical Motion Enhances Cryptochrome Magnetoreception: Toward Live Quantum Sensing Journal: The Journal of Physical Chemistry Letters Published: 17/11/2022 DOI: 10.1021/acs.jpclett.2c02840 URL: https://doi.org/10.1021/acs.jpclett.2c02840 Structure of the two-component S-layer of the archaeon Sulfolobus acidocaldarius Published: 07/10/2022 DOI: 10.1101/2022.10.07.511299 URL: https://doi.org/10.1101/2022.10.07.511299 Radical triads, not pairs, may explain effects of hypomagnetic fields on neurogenesis Journal: PLOS Computational Biology Published: 15/09/2022 DOI: 10.1371/journal.pcbi.1010519 URL: https://doi.org/10.1371/journal.pcbi.1010519 High-Pressure ESR Spectroscopy: On the Rotational Motion of Spin Probes in Pressurized Ionic Liquids Journal: The Journal of Physical Chemistry B Published: 03/02/2022 DOI: 10.1021/acs.jpcb.1c09243 URL: https://doi.org/10.1021/acs.jpcb.1c09243 Anisotropic magnetic field effects in the re-oxidation of cryptochrome in the presence of scavenger radicals Journal: The Journal of Chemical Physics Published: 14/01/2022 DOI: 10.1063/5.0078115 URL: https://doi.org/10.1063/5.0078115 2021 Ab initio derivation of flavin hyperfine interactions for the protein magnetosensor cryptochrome Journal: Physical Chemistry Chemical Physics Published: 30/11/2021 DOI: 10.1039/D1CP05804E URL: https://doi.org/10.1039/D1CP05804E Radical Scavenging Could Answer the Challenge Posed by Electron–Electron Dipolar Interactions in the Cryptochrome Compass Model Journal: JACS Au Published: 22/11/2021 DOI: 10.1021/jacsau.1c00332 URL: https://doi.org/10.1021/jacsau.1c00332 The Dynamical Ensemble of the Posner Molecule Is Not Symmetric Journal: The Journal of Physical Chemistry Letters Published: 28/10/2021 DOI: 10.1021/acs.jpclett.1c02796 URL: https://doi.org/10.1021/acs.jpclett.1c02796 Exploring Post-activation Conformational Changes in Pigeon Cryptochrome 4 Journal: The Journal of Physical Chemistry B Published: 02/09/2021 DOI: 10.1021/acs.jpcb.1c02795 URL: https://doi.org/10.1021/acs.jpcb.1c02795 Influence of the Electric Charge of Spin Probes on Their Diffusion in Room-Temperature Ionic Liquids Journal: The Journal of Physical Chemistry B Published: 19/08/2021 DOI: 10.1021/acs.jpcb.1c02493 URL: https://doi.org/10.1021/acs.jpcb.1c02493 F-cluster: Reaction-induced spin correlation in multi-radical systems Journal: The Journal of Chemical Physics Published: 28/05/2021 DOI: 10.1063/5.0052573 URL: https://doi.org/10.1063/5.0052573 How symmetry-breaking can amplify the magnetosensitivity of dipolarly coupled n-radical systems Journal: The Journal of Chemical Physics Published: 07/03/2021 DOI: 10.1063/5.0041552 URL: https://doi.org/10.1063/5.0041552 Nuclear polarization effects in cryptochrome-based magnetoreception Journal: The Journal of Chemical Physics Published: 21/01/2021 DOI: 10.1063/5.0038947 URL: https://doi.org/10.1063/5.0038947 2020 Quantum Biology: An Update and Perspective Journal: Quantum Reports Published: 31/12/2020 DOI: 10.3390/quantum3010006 URL: https://www.mdpi.com/2624-960X/3/1/6 Monte-Carlo wavefunction approach for the spin dynamics of recombining radicals Journal: New Journal of Physics Published: 01/08/2020 DOI: 10.1088/1367-2630/aba76d URL: https://doi.org/10.1088/1367-2630/aba76d Electron–Electron Dipolar Interaction Poses a Challenge to the Radical Pair Mechanism of Magnetoreception Journal: The Journal of Physical Chemistry Letters Published: 02/04/2020 DOI: 10.1021/acs.jpclett.0c00370 URL: https://doi.org/10.1021/acs.jpclett.0c00370 2019 On the optimal relative orientation of radicals in the cryptochrome magnetic compass Journal: The Journal of Chemical Physics Published: 14/08/2019 DOI: 10.1063/1.5115445 URL: https://doi.org/10.1063/1.5115445 2018 On the magnetosensitivity of lipid peroxidation: two- versus three-radical dynamics Journal: Physical Chemistry Chemical Physics Published: 30/11/2018 DOI: 10.1039/C9CP01746A URL: https://doi.org/10.1039/C9CP01746A Magnetic Field-Sensitive Radical Pair Dynamics in Polymethylene Ether-Bridged Donor–Acceptor Systems Journal: ACS Omega Published: 31/08/2018 DOI: 10.1021/acsomega.8b01232 URL: https://doi.org/10.1021/acsomega.8b01232 Molecular dynamics simulations disclose early stages of the photo-activation of cryptochrome 4 Published: 17/05/2018 DOI: 10.1101/324962 URL: https://doi.org/10.1101/324962 2017 Ascorbic acid may not be involved in cryptochrome-based magnetoreception Journal: Journal of The Royal Society Interface Published: 31/12/2017 DOI: 10.1098/rsif.2017.0657 URL: https://doi.org/10.1098/rsif.2017.0657 Radical-Pair-Based Magnetoreception Amplified by Radical Scavenging: Resilience to Spin Relaxation Journal: The Journal of Physical Chemistry B Published: 09/11/2017 DOI: 10.1021/acs.jpcb.7b07672 URL: https://doi.org/10.1021/acs.jpcb.7b07672 The sensitivity of a radical pair compass magnetoreceptor can be significantly amplified by radical scavengers Journal: Scientific Reports Published: 14/09/2017 DOI: 10.1038/s41598-017-09914-7 URL: https://doi.org/10.1038/s41598-017-09914-7 Hole Transfer Processes in meta- and para-Conjugated Mixed Valence Compounds: Unforeseen Effects of Bridge Substituents and Solvent Dynamics Journal: Journal of the American Chemical Society Published: 03/05/2017 DOI: 10.1021/jacs.7b01650 URL: https://doi.org/10.1021/jacs.7b01650 Effects of Preferential Solvation Revealed by Time-Resolved Magnetic Field Effects Journal: The Journal of Physical Chemistry B Published: 30/03/2017 DOI: 10.1021/acs.jpcb.7b00510 URL: https://doi.org/10.1021/acs.jpcb.7b00510