Projects per year
Personal profile
Research interests
Our research is focused on theoretical description of magnetic and optical properties of metal complexes. We employ quantum chemistry and spin dynamics theory to rationalise connection between structure and properties of paramagnetic molecules. Currently there are three collaborative projects in the group:
- MRI contrast agents. We work together with groups from Durham and Manchester to develop new property responsive probes based on non-Gd complexes for MRI that provide maps of local temperature and pH on top of the standard scans. In particular we are interested in evaluating periodic trends in lanthanide series and ligand modifications that can enhance sensitivity of the probes.
- Structural biology tags. Paramagnetic metal complexes are routinely used in structural biology to gain additional information on protein structure and dynamics. We are developing theoretical models and tools for paramagnetic NMR analysis including theoretical models for paramagnetic shift and paramagnetic relaxation enhancement for systems with large magnetic anisotropy.
- Molecular magnets. We work on both fundamental aspects of ligand field theory that connects structure of metal complexes with their magnetic properties and simulation of bulk magnetic properties of single-molecule magnets as well as extended 2D and 3D frameworks.
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Collaborations and top research areas from the last five years
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NIA - Bridging the gap between theory and experiment in paramagnetic NMR analysis
Suturina, E. (PI), Suturina, E. (PI) & Suturina, E. (PI)
Engineering and Physical Sciences Research Council
3/01/23 → 2/07/25
Project: Research council
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Measuring Magnetic Anisotropy and Exchange with Paramagnetic Nuclear Magnetic Resonance Spectroscopy
Suturina, E. (PI)
1/01/24 → 31/12/24
Project: Central government, health and local authorities
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Metalloproteins structure elucidation: synergy of quantum chemistry and nuclear magnetic resonance
Suturina, E. (PI)
3/08/20 → 3/08/23
Project: Research council
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Machine Learning-Enhanced Quantum Chemistry-Assisted Refinement of the Active Site Structure of Metalloproteins
Gigli, L., Silva, J. M., Cerofolini, L., Macedo, A. L., Geraldes, C. F. G. C., Suturina, E. A., Calderone, V., Fragai, M., Parigi, G., Ravera, E. & Luchinat, C., 10 Jun 2024, In: Inorganic Chemistry. 63, 23, p. 10713-10725 13 p.Research output: Contribution to journal › Article › peer-review
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Self-Assembled Tetranuclear Square Complex of Chromium(III) Bridged by Radical Pyrazine: A Molecular Model for Metal-Organic Magnets
Lou, D., Yutronkie, N. J., Oyarzabal, I., Wang, L.-F., Adak, A., Nadurata, V. L., Diego, R., Suturina, E. A., Mailman, A., Dechambenoit, P., Rouzières, M., Wilhelm, F., Rogalev, A., Bonhommeau, S., Mathonière, C. & Clérac, R., 24 Jul 2024, In: Journal of the American Chemical Society. 146, 29, p. 19649-19653 5 p.Research output: Contribution to journal › Article › peer-review
2 Citations (SciVal) -
High-Spin and Reactive Fe13 Cluster with Exposed Metal Sites
Scott, A. G., Alves Galico, D., Bogacz, I., Oyala, P. H., Yano, J., Suturina, E. A., Murugesu, M. & Agapie, T., 4 Dec 2023, In: Angewandte Chemie - International Edition. 62, 49, e202313880.Research output: Contribution to journal › Article › peer-review
Open AccessFile5 Citations (SciVal)16 Downloads (Pure) -
Paramagnetic Relaxation Agents for Enhancing Temporal Resolution and Sensitivity in Multinuclear FlowNMR Spectroscopy
Bara Estaun, A., Harder, M. C., Lyall, C. L., Lowe, J. P., Suturina, E. & Hintermair, U., 6 Jul 2023, In: Chemistry - A European Journal. 29, 38, e202300215.Research output: Contribution to journal › Article › peer-review
Open Access6 Citations (SciVal) -
Extreme g-tensor anisotropy and its insensitivity to structural distortions in a family of linear two-coordinate Ni(I) bis-N-heterocyclic carbene complexes
Blackaby, W. J. M., Harriman, K. L. M., Greer, S. M., Folli, A., Hill, S., Krewald, V., Mahon, M. F., Murphy, D. M., Murugesu, M., Richards, E., Suturina, E. & Whittlesey, M. K., 24 Jan 2022, In: Inorganic Chemistry. 61, 3, p. 1308-1315 8 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile13 Citations (SciVal)20 Downloads (Pure)
Activities
- 1 Editorial activity
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Science Advances (Journal)
Suturina, E. (Associate editor)
2024 → …Activity: Publication peer-review and editorial roles › Editorial activity