Publications – St Andrews

Broad substrate scope C-C oxidation in cyclodipeptides catalysed by a flavin-dependent filament
Sutherland, E., Harding, C. J., du Monceau de Bergendal, T., Florence, G. J., Ackermann, K., Bode, B. E., Synowsky, S., Sundaramoorthy, R. & Melo Czekster, C., 24 Jan 2025, In: Nature Communications. 16, 14 p., 995.
Research output: Contribution to journal › Article › peer-review

Chiral molecular 4f qubits by post functionalization
Hansen, S. H., Buch, C. D., Bode, B. E. & Piligkos, S., 21 Dec 2025, In: Inorganic Chemistry Frontiers . 12, 24, p. 8000-8007 8 p.
Research output: Contribution to journal › Article › peer-review

Daily rhythm in DNA methylation and the effect of total sleep deprivation
Ämmälä, A.-J., Hancox, T. P. M., Qiuyu, F., Lahtinen, A., Sulkava, S., Revell, V. L., Ackermann, K., Kayser, M., Skene, D. J. & Paunio, T., Aug 2025, In: Journal of Sleep Research. 34, 4, p. 1-10 10 p., e14438.
Research output: Contribution to journal › Article › peer-review

In-cage recombination facilitates the enantioselective organocatalytic [1,2]-rearrangement of allylic ammonium ylides
Hartley, W., Kasten, K., Greenhalgh, M. D., Feoktistova, T., Wise, H., Laddusaw, J., Frost, A. B., Ng, S., Slawin, A. M. Z., Bode, B. E., Cheong, P. & Smith, A. D., 8 Jan 2025, In: Journal of the American Chemical Society. 147, 1, p. 1101-1111 11 p.
Research output: Contribution to journal › Article › peer-review

Robustness and sensitivity of Gd(III)-Gd(III) double electron electron resonance (DEER) measurements: comparative study of high-frequency EPR spectrometer designs and spin label variants
Mocanu, E. M., Ben-Ishay, Y., Topping, L., Fisher, S. R., Hunter, R. I., Su, X.-C., Butler, S., Smith, G. M., Goldfarb, D. & Lovett, J. E., 3 Jan 2025, (E-pub ahead of print) In: Applied Magnetic Resonance. Early View, 21 p.
Research output: Contribution to journal › Article › peer-review

Sigmatropic rearrangement enables access to a highly stable spirocyclic nitroxide for protein spin labelling
Sowiński, M. P., Mocanu, E. M., Ruskin-Dodd, H., McKay, A. P., Cordes, D. B., Lovett, J. E. & Haugland-Grange, M., 27 Mar 2025, (E-pub ahead of print) In: Chemical Communications. Advance Article, 4 p.
Research output: Contribution to journal › Article › peer-review

Simulation of pulsed dynamic nuclear polarization in the steady state
Jegadeesan, S. A., Zhao, Y., Smith, G. M., Kuprov, I. & Mathies, G., 21 Jul 2025, In: Journal of Chemical Physics. 163, 3, 14 p., 034111.
Research output: Contribution to journal › Article › peer-review

CRISPR antiphage defence mediated by the cyclic nucleotide-binding membrane protein Csx23
Grüschow, S., McQuarrie, S., Ackermann, K., McMahon, S., Bode, B., Gloster, T. & White, M., 12 Apr 2024, In: Nucleic Acids Research. 52, 6, p. 2761-2775 15 p., gkae167.
Research output: Contribution to journal › Article › peer-review

EPR spectroscopic characterisation of native CuII-binding sites in human serum albumin
Ackermann, K., Wu, D., Stewart, A. J. & Bode, B. E., 28 Aug 2024, In: Dalton Transactions. 53, 32, p. 13529-13536 8 p.
Research output: Contribution to journal › Article › peer-review

Flexible holographic metasurfaces for shape dependent imaging and curvature sensing
Xiao, J., Plaskocinski, T., Hunter, R. I., Biabanifard, M., Robertson, D. A., Smith, G. M., Horsley, S., Schulz, S. A. & Di Falco, A., 1 Aug 2024, Metamaterials XIV. MacDonald, K. F., Staude, I. & Zayats, A. V. (eds.). Bellingham, WA: SPIE, Vol. 12990. 7 p. 1299005. (Proceedings of SPIE - The International Society for Optical Engineering; vol. 12990).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Monitoring the conformational ensemble and lipid environment of a mechanosensitive channel under cyclodextrin-induced membrane tension
Lane, B. J., Ma, Y., Yan, N., Wang, B., Ackermann, K., Karamanos, T. K., Bode, B. E. & Pliotas, C., 22 Mar 2024, (E-pub ahead of print) In: Structure.
Research output: Contribution to journal › Article › peer-review

Pulsed EPR methods in the Angstrom to nanometre scale shed light on the conformational flexibility of a fluoride riboswitch
Remmel, L., Meyer, A., Ackermann, K., Hageluken, G., Bennati, M. & Bode, B. E., 3 Sept 2024, (E-pub ahead of print) In: Angewandte Chemie International Edition. Early View, 11 p., e202411241.
Research output: Contribution to journal › Article › peer-review

Pulse dipolar electron paramagnetic resonance spectroscopy distance measurements at low nanomolar concentrations: the CuII-trityl case
Ackermann, K., Heubach, C., Schiemann, O. & Bode, B. E., 31 Jan 2024, (E-pub ahead of print) In: The Journal of Physical Chemistry Letters. 15, p. 1455-1461 7 p.
Research output: Contribution to journal › Article › peer-review

Spirocyclic pyrrolidinyl nitroxides with exo-methylene substituents
Sowiński, M. P., Warnke, A.-L., Lund, B. A., Skagseth, S., Cordes, D. B., Lovett, J. E. & Haugland, M. M., 13 Dec 2024, In: ChemPlusChem. 89, 12, 7 p., e202400387.
Research output: Contribution to journal › Article › peer-review

Activation of Csm6 ribonuclease by cyclic nucleotide binding: in an emergency, twist to open
McQuarrie, S., Athukoralage, J. S., McMahon, S. A., Graham, S., Ackermann, K., Bode, B. E., White, M. F. & Gloster, T. M., 27 Oct 2023, In: Nucleic Acids Research. 51, 19, p. 10590-10605 16 p.
Research output: Contribution to journal › Article › peer-review

Antiviral signalling by a cyclic nucleotide activated CRISPR protease
Rouillon, C. M. J., Schneberger, N., Chi, H., Blumenstock, K., Da Vela, S., Ackermann, K., Moecking, J., Peter, M. F., Boenigk, W., Seifert, R., Bode, B. E., Schmid-Burgk, J. L., Svergun, D., Geyer, M., White, M. & Hageluken, G., 2 Feb 2023, In: Nature. 614, p. 168–174
Research output: Contribution to journal › Article › peer-review

Chalcogen controlled redox behaviour in peri-substituted S, Se and Te naphthalene derivatives
Roemmele, T. L., Knight, F. R., Crawford, E., Robertson, S. D., Bode, B. E., Buehl, M., Slawin, A. M. Z., Woollins, J. D. & Boeré, R. T., 14 Dec 2023, In: New Journal of Chemistry. 46, 21 p., 22363.
Research output: Contribution to journal › Article › peer-review

Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times
Sowiński, M. P., Gahlawat, S., Lund, B. A., Warnke, A.-L., Hopmann, K. H., Lovett, J. E. & Haugland, M. M., 5 Jun 2023, In: Communications Chemistry. 6, 1, 8 p., 111.
Research output: Contribution to journal › Article › peer-review

Darobactin B stabilises a lateral-closed conformation of the BAM complex in E. coli cells
Haysom, S. F., Machin, J., Whitehouse, J. M., Horne, J. E., Fenn, K., Ma, Y., El Mkami, H., Böhringer, N., Schäberle, T. F., Ranson, N. A., Radford, S. E. & Pliotas, C., 21 Aug 2023, In: Angewandte Chemie International Edition. 62, 34, 8 p., e202218783.
Research output: Contribution to journal › Article › peer-review

Design of the elusive proteinaceous oxygen donor copper site suggests a promising future for copper for MRI contrast agents
Shah, A., Taylor, M. J., Molinaro, G., Anbu, S., Verdu, M., Jennings, L., Mikulska, I., Diaz-Moreno, S., El Mkami, H., Smith, G. M., Britton, M. M., Lovett, J. E. & Peacock, A. F. A., 4 Jul 2023, In: Proceedings of the National Academy of Sciences of the United States of America. 120, 27, e2219036120.
Research output: Contribution to journal › Article › peer-review

Dipolar-coupled entangled molecular 4f qubits
Bode, B. E., Fusco, E., Nixon, R., Buch, C., Weihe, H. & Piligkos, S., 8 Feb 2023, In: Journal of the American Chemical Society. 145, 5, p. 2877-2883 7 p.
Research output: Contribution to journal › Article › peer-review

Enhanced sensitivity for pulse dipolar EPR spectroscopy using variable-time RIDME
Wort, J., Ackermann, K., Giannoulis, A. & Bode, B. E., 1 Jul 2023, In: Journal of Magnetic Resonance. 352, 8 p., 107460.
Research output: Contribution to journal › Article › peer-review

Investigating native metal ion binding sites in mammalian histidine-rich glycoprotein
Ackermann, K., Khazaipoul, S., Wort, J., Sobczak, A. I. S., El Mkami, H., Stewart, A. J. & Bode, B. E., 12 Apr 2023, In: Journal of the American Chemical Society. 145, 14, p. 8064-8072 9 p.
Research output: Contribution to journal › Article › peer-review

Large cross-effect dynamic nuclear polarisation enhancements with kilowatt inverting chirped pulses at 94 GHz
Zhao, Y., El Mkami, H., Hunter, R. I., Casano, G., Ouari, O. & Smith, G. M., 22 Aug 2023, In: Communications Chemistry. 6, 12 p., 171.
Research output: Contribution to journal › Article › peer-review

Machine learning estimation of human body time using metabolomic profiling
Woelders, T., Revell, V., Middleton, B., Ackermann, K., Kayser, M., Raynaud, F., Skene, D. & Hut, R., 2 May 2023, In: Proceedings of the National Academy of Sciences of the United States of America. 120, 18, 9 p., e2212685120.
Research output: Contribution to journal › Article › peer-review

Mechanically tunable conformable holographic metasurfaces
Xiao, J., Hunter, R. I., Robertson, D. A., Smith, G. M., Horsley, S., Schulz, S. A. & Di Falco, A., 4 Sept 2023, 2023 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference (CLEO/Europe-EQEC). Piscataway, NJ: IEEE, 1 p. eh_4_2. (Conference on Lasers and Electro-Optics Europe (CLEO EUROPE)).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Shape dependent conformable holographic metasurfaces
Xiao, J., Hunter, R. I., Robertson, D. A., Smith, G. M., Horsley, S., Schulz, S. A. & Di Falco, A., 25 May 2023, In: Advanced Materials Technologies. 8, 10, 8 p., 2202006.
Research output: Contribution to journal › Article › peer-review

Shape-multiplexed conformable holographic metasurfaces
Schulz, S. A., Xiao, J., Hunter, R. I., Robertson, D. A., Smith, G. M., Horsley, S. & Di Falco, A., 1 Sept 2023, Proceedings of META 2023: The 13th International Conference on Metamaterials, Photonic Crystals and Plasmonics. Lalanne, P. & Zouhdi, S. (eds.). Gif-sur-Yvette Cedex, France: META, p. 394-395 2 p. (META proceedings).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Spectroscopically orthogonal labelling to disentangle site-specific nitroxide label distributions
Vitali, V., Ackermann, K., Hagelueken, G. & Bode, B. E., 24 Sept 2023, (E-pub ahead of print) In: Applied Magnetic Resonance. First Online, 19 p.
Research output: Contribution to journal › Article › peer-review

Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication
Giannoulis, A., Ackermann, K., Bogdanov, A., Cordes, D. B., Higgins, C., Ward, J., Slawin, A. M. Z., Taylor, J. E. & Bode, B. E., 14 Jan 2023, In: Organic & Biomolecular Chemistry. 21, 2, p. 375-385 11 p.
Research output: Contribution to journal › Article › peer-review

The photochemical mediated ring contraction of 4H-1,2,6-thiadiazines to afford 1,2,5-thiadiazol-3(2H)-one 1-oxides
Broumidis, E., Thomson, C. G., Gallagher, B., Sotorríos, L., McKendrick, K. G., Macgregor, S. A., Paterson, M. J., Lovett, J. E., Lloyd, G. O., Rosair, G. M., Kalogirou, A. S., Koutentis, P. A. & Vilela, F., 22 Sept 2023, In: Organic Letters. 25, 37, p. 6907-6912 6 p.
Research output: Contribution to journal › Article › peer-review

Triggered functional dynamics of AsLOV2 by time-resolved electron paramagnetic resonance at high magnetic fields
Maity, S., Price, B. D., Wilson, C. B., Mukherjee, A., Starck, M., Parker, D., Wilson, M. Z., Lovett, J. E., Han, S. & Sherwin, M. S., 20 Mar 2023, In: Angewandte Chemie International Edition. 62, 13, 9 p., e202212832.
Research output: Contribution to journal › Article › peer-review

Unveiling the catalytic mechanism of a processive metalloaminopeptidase
Simpson, M. C., Harding, C. J., Czekster, R., Remmel, L., Bode, B. E. & Melo Czekster, C., 4 Nov 2023, (E-pub ahead of print) In: Biochemistry. Articles ASAP, 18 p.
Research output: Contribution to journal › Article › peer-review

A low-spin CoII/Nitroxide complex for distance measurements at Q-band frequencies
Giannoulis, A., Cordes, D. B., Slawin, A. M. Z. & Bode, B. E., 11 Apr 2022, In: Magnetochemistry. 8, 4, 43.
Research output: Contribution to journal › Article › peer-review

Combined pulsed electron double resonance EPR and molecular dynamics investigations of calmodulin suggest effects of crowding agents on protein structures
Stewart, A., Shanmugam, M., Kutta, R., Scrutton, N., Lovett, J. E. & Hay, S., 6 Sept 2022, In: Biochemistry. 61, 17, p. 1735–1742 8 p.
Research output: Contribution to journal › Article › peer-review