Publications

Profiles: Google Scholar · ORCID · ResearchGate

The journal articles below have been checked against publisher and DOI records. Titles are reproduced as published. Publication years follow the journal citation/issue year; an online-first date can therefore fall in the preceding year.

2026

K. Dziubińska-Kühn, G. Musabirova, S. Effertz, L. Gerhards, J. Matysik, I. A. Solov’yov, R. B. Jolivet. Sodium–Potassium Competition Controls Xenon Uptake in Cucurbiturils. J. Am. Chem. Soc. 148(34), 36900–36911 (2026).
M. H. Ali, G. Musabirova, L. Gerhards, I. A. Solov’yov, J. P. Berry, J. Matysik, A. Alia. Detection of the Carcinogen Benzo[a]pyrene through Photochemically Induced Dynamic Nuclear Polarization: Linking Liquid-State ¹H NMR with Spatially Resolved Imaging. Anal. Chem. 98(18), 13598–13608 (2026).
P. H. Alvarez, L. Gerhards, I. A. Solov’yov, P. J. Hore. Reaction-yield detected magnetic resonance spectroscopy of radical pairs in cryptochrome-4a: a computational study. Free Radic. Biol. Med. 251, 528–538 (2026).
L. Gerhards, J. Hungerland, F. Schuhmann, A. Y. Kostritski, V. Bačić, B. Geiger, A. Bravo Vidal, W. Pezeshkian, F. Ortmann, C. Wiebeler, I. A. Solov’yov. Multiscale modeling approaches in biomolecular physics. Adv. Phys. X 11(1), 2660655 (2026).
G. Musabirova, O. B. Morozova, A. S. Kiryutin, I. S. Anisimova, I. V. Zhukov, T. Theiss, L. Gerhards, B. G. E. Zoller, T. Gulder, J. Matysik, I. A. Solov’yov, A. V. Yurkovskaya. Conformational Switching Controls Biradical Spin Dynamics in Flavin–Tryptophan Dyads. J. Am. Chem. Soc. 148(15), 15897–15910 (2026).
G. Grüning, L. Gerhards, C. Sampson, D. R. Kattnig, I. A. Solov’yov. Spin Relaxation Does Not Preclude Magnetic Field Effects on Lipid Autoxidation. ACS Cent. Sci. 12(1), 49–62 (2026).

2025

T. Theiss, G. Musabirova, L. Gerhards, I. S. Anisimova, B. G. E. Zoller, T. N. H. Nguyen, D. Denisov, A. Schmidt, S. Panter, S. Weber, C. Tegenkamp, I. A. Solov’yov, J. Matysik, T. Gulder. Distance-Dependence of Photo-CIDNP in Biomimetic Tryptophan–Flavin Diads. Angew. Chem. Int. Ed. 64, e202510116 (2025).
L. Gerhards, A. Deser, D. R. Kattnig, J. Matysik, I. A. Solov’yov. Weak Radiofrequency Field Effects on Biological Systems Mediated through the Radical Pair Mechanism. Chem. Rev. 125(17), 8051–8088 (2025).
F. Balzaretti, M. von Einem, L. Gerhards, E. Macke, T. Neudecker, L. Colombi Ciacchi, W. Dononelli, S. Köppen-Hannemann. A Multiscale Modeling Approach to Understand the Degradation of Glyphosate under Dark and Light Conditions. J. Phys. Chem. C 129(31), 13910–13922 (2025).
P. Mentzel, L. Gerhards, D. Koppenhöfer, A. Schmiedel, M. Holzapfel, N. N. Lukzen, I. A. Solov’yov, U. E. Steiner, C. Lambert. Revealing the Impact of g-Tensor Anisotropy on the Charge Recombination in Donor–Acceptor Dyads Under High Magnetic Fields. J. Am. Chem. Soc. 147(26), 23068–23078 (2025).
P. L. Benjamin, L. Gerhards, I. A. Solov’yov, P. J. Hore. Magnetosensitivity of Model Flavin–Tryptophan Radical Pairs in a Dynamic Protein Environment. J. Phys. Chem. B 129(24), 5937–5947 (2025).
M. Majewska, M. Hanić, R. Bartölke, J. Schmidt, J. Bożek, L. Gerhards, H. Mouritsen, K.-W. Koch, I. A. Solov’yov, I. Brand. European Robin Cryptochrome-4a Associates with Lipid Bilayers in an Ordered Manner, Fulfilling a Molecular-Level Condition for Magnetoreception. ACS Chem. Biol. 20(3), 592–606 (2025).

2024

P. H. Alvarez, L. Gerhards, I. A. Solov’yov, M. C. de Oliveira. Quantum phenomena in biological systems. Front. Quantum Sci. Technol. 3, 1466906 (2024).
P. Kurle-Tucholski, L. Gerhards, Y. Ding, Y. Kim, I. S. Anisimova, A. Alia, I. A. Solov’yov, J. Matysik. Nuclear hyperpolarization in electron-transfer proteins: Revealing unexpected light-induced ¹⁵N signals with field-cycling magic-angle spinning NMR. J. Magn. Reson. Open 21, 100168 (2024).
G. J. Pažėra, T. P. Fay, I. A. Solov’yov, P. J. Hore, L. Gerhards. Spin Dynamics of Radical Pairs Using the Stochastic Schrödinger Equation in MolSpin. J. Chem. Theory Comput. 20(19), 8412–8421 (2024).
A. Frederiksen, L. Gerhards, P. Reinholdt, J. Kongsted, I. A. Solov’yov. Importance of Polarizable Embedding for Absorption Spectrum Calculations of Arabidopsis thaliana Cryptochrome 1. J. Phys. Chem. B 128(26), 6283–6290 (2024).
A. V. Solov’yov, A. V. Verkhovtsev, N. J. Mason, R. A. Amos, I. Bald, G. Baldacchino, B. Dromey, M. Falk, J. Fedor, L. Gerhards, et al. Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment. Chem. Rev. 124(13), 8014–8129 (2024).
J. Luo, P. Benjamin, L. Gerhards, H. J. Hogben, P. J. Hore. Orientation of birds in radiofrequency fields in the absence of the Earth’s magnetic field – a possible test for the radical pair mechanism of magnetoreception. J. R. Soc. Interface 21(217), 20240133 (2024).
G. Grüning, L. Gerhards, S. Y. Wong, D. R. Kattnig, I. A. Solov’yov. The Effect of Spin Relaxation on Magnetic Compass Sensitivity in ErCry4a. ChemPhysChem 25(19), e202400129 (2024).
A. Frederiksen, M. Aldag, I. A. Solov’yov, L. Gerhards. Activation of Cryptochrome 4 from Atlantic Herring. Biology 13(4), 262 (2024).
D. Timmer, G. Hergert, L. Gerhards, D. C. Lünemann, N. Schröder, T. Greven, J. I. van der Vlugt, A. De Sio, I. A. Solov’yov, J. Christoffers, C. Lienau. Structural Flexibility Slows Down Charge Transfers in Diaminoterephthalate-C₆₀ Dyads. J. Phys. Chem. C 128(6), 2380–2391 (2024).
J. C. Stephani, L. Gerhards, B. Khairalla, I. A. Solov’yov, I. Brand. How do Antimicrobial Peptides Interact with the Outer Membrane of Gram-Negative Bacteria? Role of Lipopolysaccharides in Peptide Binding, Anchoring, and Penetration. ACS Infect. Dis. 10(2), 763–778 (2024).
C. Yuan, L. Gerhards, I. A. Solov’yov, K. Dedek. Biotin-cGMP and -cAMP are able to permeate through the gap junctions of some amacrine cells in the mouse retina despite their large size. Front. Ophthalmol. 3, 1334602 (published 2024).
L. Gerhards, M. Werr, O. Hübner, I. A. Solov’yov, H.-J. Himmel. Peculiar Differences between Two Copper Complexes Containing Similar Redox-Active Ligands: Density Functional and Multiconfigurational Calculations. Inorg. Chem. 63(2), 961–975 (2024).

2023

L. Jacobsen, J. Hungerland, V. Bačić, L. Gerhards, F. Schuhmann, I. A. Solov’yov. Introducing the Automated Ligand Searcher. J. Chem. Inf. Model. 63(23), 7518–7528 (2023).
N. Mitschke, W. C. Sum, K. Hassan, M. Kirchenwitz, H. Schrey, L. Gerhards, H. Kellner, T. E. B. Stradal, J. C. Matasyoh, M. Stadler. Biologically active drimane derivatives isolated from submerged cultures of the wood-inhabiting basidiomycete Dentipellis fragilis. RSC Adv. 13(37), 25752–25761 (2023).
N. Thoben, T. Kaper, S. de Graaff, L. Gerhards, M. Schmidtmann, T. Klüner, R. Beckhaus, S. Doye. Density Functional Theory Calculations for Multiple Conformers Explaining the Regio- and Stereoselectivity of Ti-Catalyzed Hydroaminoalkylation Reactions. ChemPhysChem 24(17), e202300370 (2023).
F. Schuhmann, L. Ryvkin, J. D. McLaren, L. Gerhards, I. A. Solov’yov. Across atoms to crossing continents: Application of similarity measures to biological location data. PLoS ONE 18(5), e0284736 (2023).
L. Gerhards, C. Nielsen, D. R. Kattnig, P. J. Hore, I. A. Solov’yov. Modeling spin relaxation in complex radical systems using MolSpin. J. Comput. Chem. 44(19), 1704–1714 (2023).
J. Matysik, L. Gerhards, T. Theiss, L. Timmermann, P. Kurle-Tucholski, G. Musabirova, R. Qin, F. Ortmann, I. A. Solov’yov, T. Gulder. Spin Dynamics of Flavoproteins. Int. J. Mol. Sci. 24(9), 8218 (2023).

2022

G. Grüning, S. Y. Wong, L. Gerhards, F. Schuhmann, D. R. Kattnig, P. J. Hore, I. A. Solov’yov. Effects of Dynamical Degrees of Freedom on Magnetic Compass Sensitivity: A Comparison of Plant and Avian Cryptochromes. J. Am. Chem. Soc. 144(50), 22902–22914 (2022).
F. Schuhmann, X. Tan, L. Gerhards, H. N. Bordallo, I. A. Solov’yov. The same, but different, but still the same: structural and dynamical differences of neutrophil elastase and cathepsin G. Eur. Phys. J. D 76, 126 (2022).
J. Hungerland, A. Frederiksen, L. Gerhards, I. A. Solov’yov. Studying folding ↔ unfolding dynamics of solvated alanine polypeptides using molecular dynamics. Eur. Phys. J. D 76, 154 (2022).
L. Gerhards, T. Klüner. Theoretical investigation of CH-bond activation by photocatalytic excited SO₂ and the effects of C-, N-, S-, and Se-doped TiO₂. Phys. Chem. Chem. Phys. 24(4), 2051–2069 (2022).

2021

L. Gerhards, T. Klüner. Quantum Chemical Investigation of Photocatalytical Sulfoxidation of Hydrocarbons on TiO₂. J. Phys. Chem. C 125(24), 13313–13323 (2021).
L. Mohrhusen, L. Gerhards, D. Hirsch, T. Klüner, K. Al-Shamery. Multidentate Interaction of Methylamine with Rutile TiO₂ (110). J. Phys. Chem. C 125(22), 11975–11986 (2021).

2020

A. Markovic†, L. Gerhards†, P. Sander, C. Dosche, T. Klüner, R. Beckhaus, G. Wittstock. Electronic Transitions in Different Redox States of Trinuclear 5,6,11,12,17,18-Hexaazatrinaphthylene-Bridged Titanium Complexes: Spectroelectrochemistry and Quantum Chemistry. ChemPhysChem 21(22), 2506–2514 (2020). † Equal contribution.

Thesis

L. Gerhards. Quantum Chemical Investigation of the Photocatalytic Sulfoxidation of Hydrocarbons: A Potential New Reaction for Industry. Doctoral dissertation, Carl von Ossietzky University Oldenburg (2022).

Corrections and research reports

P. H. Alvarez, L. Gerhards, I. A. Solov’yov, M. C. de Oliveira. Correction: Quantum phenomena in biological systems. Front. Quantum Sci. Technol. 5 (2026).
I. A. Solov’yov, L. Gerhards. Ist der Radikalpaar-Mechanismus für den Strahlenschutz relevant? BfS-RESFOR-269/26, Bundesamt für Strahlenschutz (2026).