Magnify - Creating the hyperpolarization battery to magnify NMR signals and improve analysis
Lead Research Organisation:
University of York
Department Name: Chemistry
Abstract
Chemical analysis is integral to understanding materials and their production. Consequently, it is a key technology that underpins
Europe's chemical and pharmaceutical sectors. We seek here to change the way we analyse materials, biological processes, catalysis
and reactivity using magnetic resonance (MR). This will involve creating the hyperpolarisation battery (HB) via parahydrogen, whose
subsequent discharge will magnify MR responses to facilitate previously impossible measurements.
Through this lens, the low cost identification and quantification of molecules and their roles in catalysis will become possible. This will
lead to faster analyses, improved catalysts and methods to transform chemicals manufacture thereby creating new commercial
opportunities and improving research efficiency. Catalysis produces 80% of industrially relevant chemicals and pharmaceuticals, and
accounts for 20-30% of world gross domestic product. Europe is a leading player here, but this position needs strengthening to
address challenges by China, the USA and Japan. Our methods also lie on the path to creating highly visible contrast agents for
improved disease diagnosis and treatment by MRI. The HB dovetails therefore with a need to support aging populations and address
conditions like cancer and neurodegenerative disorder.
Creating a versatile HB will involve a synthetic programme, magnetic field analysis and detailed optimisation. We must define its
chemical nature, optimise charging from parahydrogen gas and ensure its charged lifetime allows isolation from parahydrogen to
overcome existing safety, solvent and selectivity limitations. Sensitisation through discharge of the isolated HB must broaden scope
to enable studies of catalysis, pharmaceutical preparations and potential MRI contrast agents. By breaking the link to parahydrogen,
solvent and reaction diversity is assured; the now controllable properties of the HBs will define scope and the final hyperpolarisation
outcome.
Europe's chemical and pharmaceutical sectors. We seek here to change the way we analyse materials, biological processes, catalysis
and reactivity using magnetic resonance (MR). This will involve creating the hyperpolarisation battery (HB) via parahydrogen, whose
subsequent discharge will magnify MR responses to facilitate previously impossible measurements.
Through this lens, the low cost identification and quantification of molecules and their roles in catalysis will become possible. This will
lead to faster analyses, improved catalysts and methods to transform chemicals manufacture thereby creating new commercial
opportunities and improving research efficiency. Catalysis produces 80% of industrially relevant chemicals and pharmaceuticals, and
accounts for 20-30% of world gross domestic product. Europe is a leading player here, but this position needs strengthening to
address challenges by China, the USA and Japan. Our methods also lie on the path to creating highly visible contrast agents for
improved disease diagnosis and treatment by MRI. The HB dovetails therefore with a need to support aging populations and address
conditions like cancer and neurodegenerative disorder.
Creating a versatile HB will involve a synthetic programme, magnetic field analysis and detailed optimisation. We must define its
chemical nature, optimise charging from parahydrogen gas and ensure its charged lifetime allows isolation from parahydrogen to
overcome existing safety, solvent and selectivity limitations. Sensitisation through discharge of the isolated HB must broaden scope
to enable studies of catalysis, pharmaceutical preparations and potential MRI contrast agents. By breaking the link to parahydrogen,
solvent and reaction diversity is assured; the now controllable properties of the HBs will define scope and the final hyperpolarisation
outcome.
People |
ORCID iD |
| S Duckett (Principal Investigator) |
Publications
Assaf C
(2024)
Analysis of chemical exchange in iridium N-heterocyclic carbene complexes using heteronuclear parahydrogen-enhanced NMR
in Communications Chemistry
Alshehri A
(2023)
Enhancing the NMR signals of plant oil components using hyperpolarisation relayed via proton exchange.
in Chemical science
Gater C
(2025)
High H 2 Solubility of Perfluorocarbon Solvents and Their Use in Reversible Polarization Transfer from para -Hydrogen
in The Journal of Physical Chemistry Letters
Tickner B
(2025)
Iridium trihydride and tetrahydride complexes and their role in catalytic polarisation transfer from parahydrogen to pyruvate
in Chemical Science
Assaf CD
(2024)
J Coupling Constants of <1 Hz Enable 13C Hyperpolarization of Pyruvate via Reversible Exchange of Parahydrogen.
in The journal of physical chemistry letters
Tickner B
(2024)
Metal-Mediated Catalytic Polarization Transfer from para Hydrogen to 3,5-Dihalogenated Pyridines
in ACS Catalysis
Salnikov O
(2024)
Modeling Ligand Exchange Kinetics in Iridium Complexes Catalyzing SABRE Nuclear Spin Hyperpolarization
in Analytical Chemistry
Tickner B
(2024)
Pyrazine-bridged polymetallic copper-iridium clusters
in Acta Crystallographica Section E Crystallographic Communications
Tickner B
(2024)
Trapping Highly Reactive Metal(H) 2 ( ? 2 -H 2 ) Species to Form Trihydride Complexes and Clusters
in European Journal of Inorganic Chemistry
| Description | The route to sensitise the detection of materials by well-known MRI and important NMR is challenging. Our work has begun to demonstrate a number of novel methods that offer the potential to improve the use of these methods. A number of further publications are planned that take these developments to the next level. |
| Exploitation Route | Others will benefit from the new methods published and improvements to existing approaches. |
| Sectors | Chemicals Education Healthcare Pharmaceuticals and Medical Biotechnology |
| Title | Data to support Enhancing the NMR signals of plant oil components using hyperpolarisation relayed via proton exchange |
| Description | Data to support manuscript |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| Impact | Data revealing how to analyze plant oils |
| URL | https://pure.york.ac.uk/portal/en/datasets/e632d8dd-3e74-4eaa-801c-43feb59c303e |
| Title | Data to support Metal-mediated catalytic polarisation transfer from parahydrogen to 3,5-dihalogenated pyridines |
| Description | Supporting data including NMR and cif files |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| Impact | Illustrates how 3,5 dihalogenated materials can be polarized |
| URL | https://pure.york.ac.uk/portal/en/datasets/80e1a3d8-84a6-4194-b357-81c8883a56ea |
| Title | NMR Data for Trapping Highly Reactive Metal(H)2(?2-H2) species to form Trihydride Complexes and Clusters |
| Description | Supporting multinuclear NMR data |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| Impact | Data revealing how to further optimise SABRE. |
| URL | https://pure.york.ac.uk/portal/en/datasets/332d2666-b3b0-4858-bef8-e269e5e64209 |
| Description | Collaboration on the optimization of SABRE |
| Organisation | University of Kiel |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | A number of studies have been conducted that link the chemical and physical basis of SABRE together. We have provided chemical knowledge to the programme. |
| Collaborator Contribution | Our partners have collected data and liked the results to our chemical understanding. |
| Impact | Analysis of chemical exchange in iridium N-heterocyclic carbene complexes using heteronuclear parahydrogen-enhanced NMR, COMMUNICATIONS CHEMISTRY, Volume 7 Issue 1 DOI10.1038/s42004-024-01376-z. Modeling Ligand Exchange Kinetics in Iridium Complexes Catalyzing SABRE Nuclear Spin Hyperpolarization, ANALYTICAL CHEMISTRY, Volume 96 Issue 29 Page11790-11799 DOI10.1021/acs.analchem.4c01374. J Coupling Constants of <1 Hz Enable 13C Hyperpolarization of Pyruvate via Reversible Exchange of Parahydrogen JOURNAL OF PHYSICAL CHEMISTRY LETTERS Volume15 Issue 5 Page 1195-1203 DOI10.1021/acs.jpclett.3c02980 |
| Start Year | 2023 |