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Contract number
075-15-2021-580
Time span of the project
2021-2023
Invited researcher
Head of the laboratory

As of 01.12.2023

47
Number of staff members
27
scientific publications
General information

The project is aimed at the development of methods of spin hyperpolarisation for a significant increase of the sensitivity of nuclear magnetic resonance (NMR).

In this project, the laboratory will develop new approaches to the purposeful manipulation of the non-equilibrium spin hyperpolarisation, including methods of polarisation transfer to target spin groups and efficient spin order storage. For this purpose, we will use several magnetic fields, which will allow to achieve the optimal conditions for the formation, transfer, storage, and detection of hyperpolarisation. The multi-field approach will allow to implement stable NMR signal amplification schemes, which is vitally important for a number of applications. In particular, the developed methods will be used to solve relevant problems, including fast and effective screening of medications in pharmaceutical applications.

Name of the project: Nuclear spin hyperpolarisation in repeatedly switched fields


Goals and objectives

Project objective:

To achieve the objective, significant increasing NMR sensitivity, our researchers will solve the following goals and develop corresponding research directions:

  • The use of repeatedly switched magnetic fields in experiments involving dynamic nuclear polarisation (DNP) with dissolution for efficient spin hyperpolarisation storage;
  • The development of multi-field methods of photo-DNP with fast dissolution of the sample;
  • The development of new methods of NMR signal amplification in zero and ultra-low magnetic fields (ZULF-NMR).

The development of applications of spin hyperpolarisation in repeatedly switched magnetic fields for fast and effective screening of pharmaceuticals.

The practical value of the study

Scientific results:

The aim of the project was to develop nuclear spin hyperpolarization methods based on the use of multiple switching of the magnetic field to optimize the processes of creation, long-term preservation, and transfer of nonequilibrium spin polarization, which turned out to be especially in demand for amplifying weak NMR signals of heteronuclei with low gyromagnetic ratio values. The project proposed and applied experimental methods for targeted manipulation of spin hyperpolarization, namely, by transferring polarization to selected groups of spins and effectively preserving the spin order. To create nuclear spin hyperpolarization, the project used three approaches: 1) nuclear polarization in photo-induced processes in solutions - chemically induced dynamic polarization of nuclei (photo-CIDNP); 2) photo-DNP experiments in solids; 3) the method based on the parahydrogen-induced polarization of nuclei (PHIP), was used in two versions, namely PHIP with catalytic hydrogenation by parahydrogen and the SABRE version - this is PHIP without hydrogenation, a method based on the transfer of the singlet order of parahydrogen to the spins of the substrate nuclei in the reaction of reversible binding with an organometallic catalyst of both the parahydrogen molecule and the polarizable substrate (SABRE from the English signal amplification by reversible exchange), The project consistently uses a strategy based on the use of multiple switching of the magnetic field to select optimal conditions not only for the formation of polarization, but also its transfer, storage and detection. This approach with several fields made it possible to develop reliable and effective methods for signal amplification in NMR due to spin hyperpolarization, which were applied in current studies of physicochemical processes.

Education and personnel occupational retraining:

Over three years, 2 doctoral and 7 candidate dissertations have been defended,

11 accepted to postgraduate studies 

Cooperation:

  • University of Leipzig, Germany
  • University of Würzburg, Germany
  • Technical University of Darmstadt, Germany
  • University of Paris France
  • University Southampton, UK

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Morozova O. B., Zhuravleva Y. S., Geniman M. P., Yurkovskaya A. V., Sherin P. S.
Disproportionation and dimerisation of kynurenic acid under UV light // Journal of Photochemistry and Photobiology A: Chemistry. ‒ 2023. ‒ T. 445. ‒ C. 115009. DOI: 10.1016/j.jphotochem.2023.115009
Morozova O. B., Fishman N. N., Yurkovskaya A. V.
Time-Resolved CIDNP as a Tool for Determination of Rate Constants of Triplet Quenching Using the Example of Photo-Induced Oxidation of Histidine-Containing Compounds** // ChemPhotoChem. ‒ 2023. ‒ T. n/a, № n/a. ‒ C. e202300021. DOI: https://doi.org/10.1002/cptc.202300021
Morozova O. B., Yurkovskaya A. V.
Reduction of transient carnosine radicals depends on β-alanyl amino group charge // Physical Chemistry Chemical Physics. ‒ 2023. ‒ T. 25, № 11. ‒ C. 7704-7710. DOI: 10.1039/D2CP04933C
B. A. Rodin, V. F. Thalakottoor, J.Chacko, M. Baudin, N. Birilirakis, G. Bodenhausen , A. V. Yurkovskaya, and Daniel Abergel
“Quantitative analysis of cross-talk in partly deuterated samples of nuclear spins hyperpolarized by dynamic nuclear polarization (DNP) in the thermal mixing regime” Phys. Chem. Chem. Phys., 2023,25, 15040-15051 DOI https://doi.org/10.1039/D3CP00453H
Morozova, O. B., Fishman, N. N., Yurkovskaya, A. V.
Photo‐CIDNP as a Tool for Determination of Rate Constants of Triplet Quenching Using the Example of Photo‐Induced Oxidation of Histidine‐Containing Compounds, ChemPhotoChem 2023, 7, e202300021, https://doi.org/10.1002/cptc.202300021
Geniman M. P., Morozova O. B., Lukzen N. N., Grampp G., Yurkovskaya A. V. Marcus
Cross-Relationship Probed by Time-Resolved CIDNP // International Journal of Molecular Sciences. ‒ 2023. ‒ T. 24, № 18. ‒ C. 13860.
Popov, A.L.; Savintseva, I.V.; Kozlova, T.O.; Ivanova, O.S.; Zhukov, I.V.; Baranchikov, A.E.; Yurkovskaya, A.V.; Savelov, A.A.; Ermakov, A.M.; Popova, N.R.; et al.
Heavily Gd-Doped Non-Toxic Cerium Oxide Nanoparticles for MRI Labelling of Stem Cells. Molecules 2023, 28, 1165. https://doi.org/ 10.3390/molecules28031165
Doktorov, A.B.; Lukzen, N.N.
Magnetic Field Effect in Bimolecular Rate Constant of Radical Recombination. Int. J. Mol. Sci. 2023, 24, 7555. https://doi.org/10.3390/ijms24087555
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