A Multidisciplinary Research Platform for Nuclear Spins far from Equilibrium
Lead Research Organisation:
University of Southampton
Department Name: Sch of Chemistry
Abstract
Nuclear Magnetic Resonance (NMR) is a technique which uses the fact that the nuclei of many atoms act as tiny radiotransmitters, emitting radio signals at precisely-defined frequencies, which can be detected by a carefully-tuned detector. In an NMR experiment, the nuclei are first magnetised by placing a sample in a strong magnetic field for some time. A sequence of radiofrequency pulses is then applied to the sample, which subsequently emits radiowaves which are detected in the radio receiver. The pattern of emitted waves provides information on the chemical composition and spatial distribution of the sample.
Magnetic nuclei may be viewed as small bar magnets, which may point in any direction in space. In normal circumstances the directions in which the nuclear magnets point are almost uniformly distributed, meaning that all directions are almost equally likely. As a result the net nuclear magnetism almost completely cancels out. However, when a strong magnetic field is applied, there is a very small change in this distribution, so that slightly more nuclei point along the applied field, than opposite to it. A very small net magnetism is developed along the applied field, and this is used to generate NMR and MRI signals.
It is possible to generate materials with strongly perturbed nuclear spin distributions. There are two different types of non-equilibrium nuclear spin states.
In the first type, the nuclei are strongly lined up in one direction, to a degree which is much greater than that which is available without intervention. Such materials are said to be hyperpolarized. Materials in hyperpolarized states can generate NMR signals which are 100000 stronger than normal. This phenomenon has already been used in clinical trials for the detection of cancer in human patients.
In the second type of non-equilibrium spin state, neighbouring nuclei in the same molecule are strongly aligned with other, as opposed to being aligned along an external direction. In sufficiently symmetrical molecules, this leads to the phenomenon of spin isomerism, in which compounds with different nuclear spin configurations behave as separate physical substances, which can be stable for a long time. The seminal case is hydrogen gas (H2) where the spin isomers are called ortho and parahydrogen. These spin isomers were predicted to exist by Heisenberg (for which he was awarded a Nobel prize) and their existence is one of the triumphs of quantum mechanics. Recently our group showed that ordinary water may also exhibit ortho and para spin isomers, providing the water molecules are trapped inside carbon cages (fullerenes) so that they are free to rotate at low temperature. We also showed that the type of water spin isomer has an influence on the electrical properties of the material.
In this Platform Grant we will further develop the sciences of hyperpolarization and spin isomerism and explore how they relate to each other. In some circumstances, spin isomerism may lead to hyperpolarization, and vice versa. By conducting this research we will learn a great deal about the behaviour of magnetic nuclei in symmetrical molecules, and develop new methods for enhancing NMR signals by enormous factors, which will have an impact on a wide range of sciences, including clinical medicine and the detection and characterisation of cancer.
The new science of materials in nuclear spin states which are far from equilibrium also offers commercial opportunities in the form of novel MRI (magnetic resonance imaging) technology, and hyperpolarized imaging agents.
During the project we will give our research team the opportunity to work flexibly and interactively across several interlocking disciplines. An innovation fund with an internal bidding process will be instituted to allow the participating researchers to explore their own ideas and to visit other laboratories.
Magnetic nuclei may be viewed as small bar magnets, which may point in any direction in space. In normal circumstances the directions in which the nuclear magnets point are almost uniformly distributed, meaning that all directions are almost equally likely. As a result the net nuclear magnetism almost completely cancels out. However, when a strong magnetic field is applied, there is a very small change in this distribution, so that slightly more nuclei point along the applied field, than opposite to it. A very small net magnetism is developed along the applied field, and this is used to generate NMR and MRI signals.
It is possible to generate materials with strongly perturbed nuclear spin distributions. There are two different types of non-equilibrium nuclear spin states.
In the first type, the nuclei are strongly lined up in one direction, to a degree which is much greater than that which is available without intervention. Such materials are said to be hyperpolarized. Materials in hyperpolarized states can generate NMR signals which are 100000 stronger than normal. This phenomenon has already been used in clinical trials for the detection of cancer in human patients.
In the second type of non-equilibrium spin state, neighbouring nuclei in the same molecule are strongly aligned with other, as opposed to being aligned along an external direction. In sufficiently symmetrical molecules, this leads to the phenomenon of spin isomerism, in which compounds with different nuclear spin configurations behave as separate physical substances, which can be stable for a long time. The seminal case is hydrogen gas (H2) where the spin isomers are called ortho and parahydrogen. These spin isomers were predicted to exist by Heisenberg (for which he was awarded a Nobel prize) and their existence is one of the triumphs of quantum mechanics. Recently our group showed that ordinary water may also exhibit ortho and para spin isomers, providing the water molecules are trapped inside carbon cages (fullerenes) so that they are free to rotate at low temperature. We also showed that the type of water spin isomer has an influence on the electrical properties of the material.
In this Platform Grant we will further develop the sciences of hyperpolarization and spin isomerism and explore how they relate to each other. In some circumstances, spin isomerism may lead to hyperpolarization, and vice versa. By conducting this research we will learn a great deal about the behaviour of magnetic nuclei in symmetrical molecules, and develop new methods for enhancing NMR signals by enormous factors, which will have an impact on a wide range of sciences, including clinical medicine and the detection and characterisation of cancer.
The new science of materials in nuclear spin states which are far from equilibrium also offers commercial opportunities in the form of novel MRI (magnetic resonance imaging) technology, and hyperpolarized imaging agents.
During the project we will give our research team the opportunity to work flexibly and interactively across several interlocking disciplines. An innovation fund with an internal bidding process will be instituted to allow the participating researchers to explore their own ideas and to visit other laboratories.
Planned Impact
1. Academic impact
1.1 New knowledge and scientific advancement.
The research in this proposal is fundamental in nature. How are materials generated with highly non-equilibrium nuclear spin states? How may such states be maintained for significant times? What materials phenomena are associated with highly non-equilibrium nuclear spin states? How can such phenomena be exploited in NMR and other fields such as medicine, biochemistry, materials science and superconductivity?
The proposal is highly interdisciplinary involving organic and inorganic chemistry, quantum physics, materials science, biochemistry, cryogenics and imaging.
1.2 Worldwide scientific advancement
The proposal is part of an ongoing direct collaboration with project partners from Estonia, Denmark and France. In addition the participating groups have close collaborations with research groups in Germany, Greece, Sweden, Japan, India, Australia and USA.
1.3 Development of new methodologies, equipment, techniques, cross-disciplinary approaches.
The project uses multiple new methodologies, equipment and techniques. The project is highly cross-disciplinary, involving chemistry, quantum physics, imaging, biochemistry, and reaches out into clinical medicine.
1.4 Delivering and training researchers.
The named researchers will be given the opportunity to lead their project packages and to train as a research leader of the future. We will mentor these young researchers into future academic leadership roles.
2. Economic and Societal Impact
2.1 Societal benefits. The research described here is directed towards the development of enhanced imaging modalities, of potentially great benefit to the diagnosis and treatment of a wide range of diseases, especially early detection of cancer and better characterisation of its response to treatment. These new modalities can therefore considerably increase the efficacy of treatments while reducing cost. In addition some projects under this platform will develop techniques which have the potential for improving energy materials.
Science is a cultural activity - especially basic science. Basic research of this nature is therefore culturally enriching.
2.2 Economic benefits. Magnet technology is a strength of UK engineering so enhancements in NMR and MRI are of long-term economic benefit to the UK. In particular Oxford Instruments has invested heavily in HYPERSENSE technology so that advances in this technology are very important for that key company. Cryogenic and Thomas Keating are other UK companies with a heavy investment in advanced magnetic resonance technology. GE also has facilities located in the UK. The technologies developed in this project may underpin new startup companies: for example new devices for producing hyperpolarized materials, or compounds which may be prepared and transported in a hyperpolarized state, and better and more transportable MRI systems.
Improved efficiency in the treatment of diseases such as stroke and cancer will reduce the cost burden on health services.
The training of researchers in advanced NMR and MRI techniques and their associated theory will equip UK industry to compete better in these areas in the future, bringing further economic benefits. Even if researchers on this grant end up in different fields, their experience of the highly interdisciplinary environment in this project will equip them well to conduct and lead interdisciplinary and flexible activities in the future.
1.1 New knowledge and scientific advancement.
The research in this proposal is fundamental in nature. How are materials generated with highly non-equilibrium nuclear spin states? How may such states be maintained for significant times? What materials phenomena are associated with highly non-equilibrium nuclear spin states? How can such phenomena be exploited in NMR and other fields such as medicine, biochemistry, materials science and superconductivity?
The proposal is highly interdisciplinary involving organic and inorganic chemistry, quantum physics, materials science, biochemistry, cryogenics and imaging.
1.2 Worldwide scientific advancement
The proposal is part of an ongoing direct collaboration with project partners from Estonia, Denmark and France. In addition the participating groups have close collaborations with research groups in Germany, Greece, Sweden, Japan, India, Australia and USA.
1.3 Development of new methodologies, equipment, techniques, cross-disciplinary approaches.
The project uses multiple new methodologies, equipment and techniques. The project is highly cross-disciplinary, involving chemistry, quantum physics, imaging, biochemistry, and reaches out into clinical medicine.
1.4 Delivering and training researchers.
The named researchers will be given the opportunity to lead their project packages and to train as a research leader of the future. We will mentor these young researchers into future academic leadership roles.
2. Economic and Societal Impact
2.1 Societal benefits. The research described here is directed towards the development of enhanced imaging modalities, of potentially great benefit to the diagnosis and treatment of a wide range of diseases, especially early detection of cancer and better characterisation of its response to treatment. These new modalities can therefore considerably increase the efficacy of treatments while reducing cost. In addition some projects under this platform will develop techniques which have the potential for improving energy materials.
Science is a cultural activity - especially basic science. Basic research of this nature is therefore culturally enriching.
2.2 Economic benefits. Magnet technology is a strength of UK engineering so enhancements in NMR and MRI are of long-term economic benefit to the UK. In particular Oxford Instruments has invested heavily in HYPERSENSE technology so that advances in this technology are very important for that key company. Cryogenic and Thomas Keating are other UK companies with a heavy investment in advanced magnetic resonance technology. GE also has facilities located in the UK. The technologies developed in this project may underpin new startup companies: for example new devices for producing hyperpolarized materials, or compounds which may be prepared and transported in a hyperpolarized state, and better and more transportable MRI systems.
Improved efficiency in the treatment of diseases such as stroke and cancer will reduce the cost burden on health services.
The training of researchers in advanced NMR and MRI techniques and their associated theory will equip UK industry to compete better in these areas in the future, bringing further economic benefits. Even if researchers on this grant end up in different fields, their experience of the highly interdisciplinary environment in this project will equip them well to conduct and lead interdisciplinary and flexible activities in the future.
Organisations
- University of Southampton (Lead Research Organisation)
- University of Stuttgart (Collaboration)
- Columbia University (Collaboration)
- University of Basel (Collaboration)
- University of Paderborn (Collaboration)
- University of Kyoto (Collaboration)
- DIAMOND LIGHT SOURCE (Collaboration)
- Helmholtz Association of German Research Centres (Collaboration)
- École Normale Supérieure, Paris (Collaboration)
- Cambridge Cancer Centre (Collaboration)
- Max Planck Society (Collaboration)
- University of California, Berkeley (Collaboration)
- University of Pennsylvania (Collaboration)
- National Institute of Chemical Physics and Biophysics (Collaboration, Project Partner)
- New York University (Collaboration)
- Institut Laue–Langevin (Collaboration)
- Jianghan University (Collaboration)
- National institute of Chemical Physics, Tallinn (Collaboration)
- Jagiellonian University (Collaboration)
- University of Copenhagen (Collaboration)
- Pomona College (Collaboration)
- UNIVERSITY OF NOTTINGHAM (Collaboration)
- Lancaster University (Collaboration)
- Italian Institute of Technology (Istituto Italiano di Tecnologia IIT) (Collaboration)
- UNIVERSITY OF CAMBRIDGE (Collaboration)
- Russian Academy of Sciences (Collaboration)
- Technical University of Denmark (Collaboration, Project Partner)
- Johannes Gutenberg University of Mainz (Collaboration)
- National Center for Scientific Research (Centre National de la Recherche Scientifique CNRS) (Collaboration)
- Swiss Federal Institute of Technology in Lausanne (EPFL) (Collaboration)
- Technical University of Darmstadt (Collaboration)
- University of Turin (Collaboration)
- University of Osnabrück (Collaboration)
- Brown University (Collaboration)
- Moscow Institute of Physics and Technology (Collaboration)
- École normale supérieure de Lyon (ENS Lyon) (Collaboration)
- Science and Technologies Facilities Council (STFC) (Collaboration)
- Claude Bernard University Lyon 1 (UCBL) (Collaboration)
- University of Lille (Collaboration)
- Technical University Kaiserslautern (Collaboration)
- University of Ulm (Collaboration)
- UNIVERSITY OF YORK (Collaboration)
- Institute of Electronics Microelectronics and Nanotechnology (Collaboration)
- KING'S COLLEGE LONDON (Collaboration)
- University of Cambridge (Project Partner)
- French National Centre for Scientific Research (Project Partner)
Publications
Alonso-Valdesueiro J
(2018)
Testing signal enhancement mechanisms in the dissolution NMR of acetone.
in Journal of magnetic resonance (San Diego, Calif. : 1997)
Bacanu GR
(2020)
Fine structure in the solution state 13C-NMR spectrum of C60 and its endofullerene derivatives.
in Physical chemistry chemical physics : PCCP
Bacanu GR
(2020)
An Internuclear J-Coupling of 3He Induced by Molecular Confinement.
in Journal of the American Chemical Society
Bacanu GR
(2021)
Experimental determination of the interaction potential between a helium atom and the interior surface of a C60 fullerene molecule.
in The Journal of chemical physics
Barker SJ
(2022)
Direct Production of a Hyperpolarized Metabolite on a Microfluidic Chip.
in Analytical chemistry
Bengs C
(2020)
Rotational-permutational dual-pairing and long-lived spin order.
in The Journal of chemical physics
Bengs C
(2021)
Nuclear Singlet Relaxation by Chemical Exchange
Bengs C
(2021)
Nuclear singlet relaxation by chemical exchange.
in The Journal of chemical physics
Bengs C
(2018)
SpinDynamica: Symbolic and numerical magnetic resonance in a Mathematica environment.
in Magnetic resonance in chemistry : MRC
Bengs C
(2021)
Nuclear Singlet Relaxation by Chemical Exchange
| Description | Samples may be prepared in highly non-equilibrium nuclear spin states. These states can give rise to highly enhanced nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) signals. We are learning how to prepare such states and how to understand their behaviour. We have successfully used such non-equilibrium states to study metabolism. We have also optimised synthetic protocols to construct molecules (molecular endofullerenes) which are particularly adept at supporting non-equilibrium spin states and have studied these by NMR, terahertz spectroscopy, and neutron scattering. |
| Exploitation Route | Enhancement of knowledge. |
| Sectors | Chemicals,Healthcare,Pharmaceuticals and Medical Biotechnology,Other |
| Description | European Research Council Advanced Grant |
| Amount | € 2,762,223 (EUR) |
| Funding ID | 786707 |
| Organisation | European Commission |
| Sector | Public |
| Country | European Union (EU) |
| Start | 10/2018 |
| End | 09/2023 |
| Description | HyperStore: Singlet states and supercritical fluids for storage and transport of hyperpolarised spin order |
| Amount | £557,185 (GBP) |
| Funding ID | EP/P005187/1 |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 12/2016 |
| End | 11/2019 |
| Description | Marie Sklodowska-Curie Innovative Training Networks |
| Amount | € 2,794,786 (EUR) |
| Funding ID | 766402 |
| Organisation | European Commission |
| Sector | Public |
| Country | European Union (EU) |
| Start | 02/2018 |
| End | 01/2022 |
| Description | SINGLET-DIFFUSION-NMR TO PROBE TRANSLATIONAL DYNAMICS IN POROUS MEDIA |
| Amount | £100,978 (GBP) |
| Funding ID | EP/N033558/1 |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 09/2016 |
| End | 02/2018 |
| Description | Underpinning Equipment |
| Amount | £1,999,999 (GBP) |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 04/2017 |
| End | 03/2018 |
| Title | Bullet-DNP equipment |
| Description | Device and control system for rapid dissolution of a solid polarized by dynamic nuclear polarization |
| Type Of Material | Improvements to research infrastructure |
| Year Produced | 2019 |
| Provided To Others? | Yes |
| Impact | Research insights and advances |
| Title | Cryogenic NMR probe |
| Description | Equipment for performing NMR at cryogenic temperatures |
| Type Of Material | Improvements to research infrastructure |
| Year Produced | 2015 |
| Provided To Others? | No |
| Impact | Advances in scientific understanding from measurement results |
| Title | SpinDynamica software |
| Description | SpinDynamica software is a Mathematica-based system for analyzing, understanding, and simulating nuclear spin dynamics, with applications to NMR and MRI. |
| Type Of Material | Improvements to research infrastructure |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| Impact | Widespread use in the NMR community |
| URL | http://www.spindynamica.soton.ac.uk/ |
| Description | CH2D collaboration |
| Organisation | National Center for Scientific Research (Centre National de la Recherche Scientifique CNRS) |
| Country | France |
| Sector | Academic/University |
| PI Contribution | NMR theory, measurements and methodology |
| Collaborator Contribution | NMR theory, measurements and methodology. Quantum chemistry collaborations. |
| Impact | see grant entries. |
| Start Year | 2016 |
| Description | CH2D collaboration |
| Organisation | Pomona College |
| Country | United States |
| Sector | Academic/University |
| PI Contribution | NMR theory, measurements and methodology |
| Collaborator Contribution | NMR theory, measurements and methodology. Quantum chemistry collaborations. |
| Impact | see grant entries. |
| Start Year | 2016 |
| Description | Endofullerene collaboration |
| Organisation | Brown University |
| Country | United States |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | Columbia University |
| Country | United States |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | Diamond Light Source |
| Country | United Kingdom |
| Sector | Private |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | Helmholtz Association of German Research Centres |
| Department | Helmholtz Institute Mainz |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | Institut Laue–Langevin |
| Country | France |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | Jianghan University |
| Country | China |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | King's College London |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | Lancaster University |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | Max Planck Society |
| Department | Fritz Haber Institute |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | Moscow Institute of Physics and Technology |
| Country | Russian Federation |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | National institute of Chemical Physics, Tallinn |
| Country | Estonia |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | University of Kyoto |
| Country | Japan |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | University of Lille |
| Country | France |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | University of Nottingham |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | University of Osnabrück |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | University of Paderborn |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene collaboration |
| Organisation | University of Stuttgart |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | NMR and theory |
| Collaborator Contribution | Synthesis, physical techniques, and theory |
| Impact | Too complex to report here. |
| Start Year | 2006 |
| Description | Endofullerene consortium starting 2015 |
| Organisation | Institut Laue–Langevin |
| Country | France |
| Sector | Academic/University |
| PI Contribution | NMR & theory |
| Collaborator Contribution | multidisciplinary research and measurements |
| Impact | Numerous outputs. See linked grants. Multidisciplinary: chemistry, physics |
| Start Year | 2015 |
| Description | Endofullerene consortium starting 2015 |
| Organisation | Institute of Electronics Microelectronics and Nanotechnology |
| Country | France |
| Sector | Academic/University |
| PI Contribution | NMR & theory |
| Collaborator Contribution | multidisciplinary research and measurements |
| Impact | Numerous outputs. See linked grants. Multidisciplinary: chemistry, physics |
| Start Year | 2015 |
| Description | Endofullerene consortium starting 2015 |
| Organisation | Jagiellonian University |
| Department | Jagiellonian University Medical College |
| Country | Poland |
| Sector | Academic/University |
| PI Contribution | NMR & theory |
| Collaborator Contribution | multidisciplinary research and measurements |
| Impact | Numerous outputs. See linked grants. Multidisciplinary: chemistry, physics |
| Start Year | 2015 |
| Description | Endofullerene consortium starting 2015 |
| Organisation | Johannes Gutenberg University of Mainz |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | NMR & theory |
| Collaborator Contribution | multidisciplinary research and measurements |
| Impact | Numerous outputs. See linked grants. Multidisciplinary: chemistry, physics |
| Start Year | 2015 |
| Description | Endofullerene consortium starting 2015 |
| Organisation | National institute of Chemical Physics, Tallinn |
| Country | Estonia |
| Sector | Academic/University |
| PI Contribution | NMR & theory |
| Collaborator Contribution | multidisciplinary research and measurements |
| Impact | Numerous outputs. See linked grants. Multidisciplinary: chemistry, physics |
| Start Year | 2015 |
| Description | Endofullerene consortium starting 2015 |
| Organisation | University of Nottingham |
| Department | School of Psychology Nottingham |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | NMR & theory |
| Collaborator Contribution | multidisciplinary research and measurements |
| Impact | Numerous outputs. See linked grants. Multidisciplinary: chemistry, physics |
| Start Year | 2015 |
| Description | Endofullerenes as laser materials |
| Organisation | Institute of Electronics Microelectronics and Nanotechnology |
| Country | France |
| Sector | Academic/University |
| PI Contribution | Materials, theory, concepts |
| Collaborator Contribution | Experiments, concepts, materials |
| Impact | none yet |
| Start Year | 2019 |
| Description | Field-cycling investigations of long-lived nuclear spin states |
| Organisation | New York University |
| Country | United States |
| Sector | Academic/University |
| PI Contribution | Samples, ideas, spin dynamical expertise |
| Collaborator Contribution | Equipment, personnel, spin dynamical expertise |
| Impact | Publications listed under grants |
| Start Year | 2018 |
| Description | Field-cycling investigations of long-lived nuclear spin states |
| Organisation | Russian Academy of Sciences |
| Department | International Tomography Center |
| Country | Russian Federation |
| Sector | Public |
| PI Contribution | Samples, ideas, spin dynamical expertise |
| Collaborator Contribution | Equipment, personnel, spin dynamical expertise |
| Impact | Publications listed under grants |
| Start Year | 2018 |
| Description | High-pressure NMR |
| Organisation | University of Basel |
| Department | Biozentrum Basel |
| Country | Switzerland |
| Sector | Academic/University |
| PI Contribution | Samples, principles, concepts, theory |
| Collaborator Contribution | Measurements, access to equipment |
| Impact | ongoing |
| Start Year | 2019 |
| Description | Hyperpolarization collaboration |
| Organisation | Cambridge Cancer Centre |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | NMR techniques, materials, theory, simulations |
| Collaborator Contribution | MRI techniques, materials, methodology |
| Impact | Too complex to report here. |
| Start Year | 2010 |
| Description | Hyperpolarization collaboration |
| Organisation | Swiss Federal Institute of Technology in Lausanne (EPFL) |
| Country | Switzerland |
| Sector | Public |
| PI Contribution | NMR techniques, materials, theory, simulations |
| Collaborator Contribution | MRI techniques, materials, methodology |
| Impact | Too complex to report here. |
| Start Year | 2010 |
| Description | Hyperpolarization collaboration |
| Organisation | University of Copenhagen |
| Country | Denmark |
| Sector | Academic/University |
| PI Contribution | NMR techniques, materials, theory, simulations |
| Collaborator Contribution | MRI techniques, materials, methodology |
| Impact | Too complex to report here. |
| Start Year | 2010 |
| Description | Hyperpolarization collaboration |
| Organisation | University of Pennsylvania |
| Country | United States |
| Sector | Academic/University |
| PI Contribution | NMR techniques, materials, theory, simulations |
| Collaborator Contribution | MRI techniques, materials, methodology |
| Impact | Too complex to report here. |
| Start Year | 2010 |
| Description | Hyperpolarization collaboration |
| Organisation | École normale supérieure de Lyon (ENS Lyon) |
| Country | France |
| Sector | Academic/University |
| PI Contribution | NMR techniques, materials, theory, simulations |
| Collaborator Contribution | MRI techniques, materials, methodology |
| Impact | Too complex to report here. |
| Start Year | 2010 |
| Description | Hyperpolarized 3He NMR |
| Organisation | Jagiellonian University |
| Country | Poland |
| Sector | Academic/University |
| PI Contribution | samples, background knowledge, ideas |
| Collaborator Contribution | 3He NMR and MRI |
| Impact | none yet |
| Start Year | 2018 |
| Description | Hyperpolarized fumarate |
| Organisation | Helmholtz Association of German Research Centres |
| Department | Helmholtz Institute Mainz |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | NMR expertise |
| Collaborator Contribution | NMR expertise |
| Impact | see publication list |
| Start Year | 2019 |
| Description | Hyperpolarized fumarate |
| Organisation | Johannes Gutenberg University of Mainz |
| Department | Mainz Microtron MAMI |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | NMR expertise |
| Collaborator Contribution | NMR expertise |
| Impact | see publication list |
| Start Year | 2019 |
| Description | Hyperpolarized fumarate |
| Organisation | Technical University Kaiserslautern |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | NMR expertise |
| Collaborator Contribution | NMR expertise |
| Impact | see publication list |
| Start Year | 2019 |
| Description | Hyperpolarized fumarate |
| Organisation | Technical University of Darmstadt |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | NMR expertise |
| Collaborator Contribution | NMR expertise |
| Impact | see publication list |
| Start Year | 2019 |
| Description | Hyperpolarized fumarate |
| Organisation | University of California, Berkeley |
| Country | United States |
| Sector | Academic/University |
| PI Contribution | NMR expertise |
| Collaborator Contribution | NMR expertise |
| Impact | see publication list |
| Start Year | 2019 |
| Description | Hyperpolarized fumarate |
| Organisation | University of Turin |
| Country | Italy |
| Sector | Academic/University |
| PI Contribution | NMR expertise |
| Collaborator Contribution | NMR expertise |
| Impact | see publication list |
| Start Year | 2019 |
| Description | Infrared and THz spectroscopy of endofullerenes |
| Organisation | Institute of Electronics Microelectronics and Nanotechnology |
| Country | France |
| Sector | Academic/University |
| PI Contribution | Provision of samples, theory, numerical simulations |
| Collaborator Contribution | Terahertz and infrared spectroscopy, and their interpretation |
| Impact | Numerous outputs listed under associated grants in ResearchFish |
| Start Year | 2015 |
| Description | Infrared and THz spectroscopy of endofullerenes |
| Organisation | Max Planck Society |
| Department | Fritz Haber Institute |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | Provision of samples, theory, numerical simulations |
| Collaborator Contribution | Terahertz and infrared spectroscopy, and their interpretation |
| Impact | Numerous outputs listed under associated grants in ResearchFish |
| Start Year | 2015 |
| Description | Infrared and THz spectroscopy of endofullerenes |
| Organisation | National Institute of Chemical Physics and Biophysics |
| Country | Estonia |
| Sector | Academic/University |
| PI Contribution | Provision of samples, theory, numerical simulations |
| Collaborator Contribution | Terahertz and infrared spectroscopy, and their interpretation |
| Impact | Numerous outputs listed under associated grants in ResearchFish |
| Start Year | 2015 |
| Description | Neutron scattering of endofullerenes |
| Organisation | Institut Laue–Langevin |
| Country | France |
| Sector | Academic/University |
| PI Contribution | Provision of samples, concepts, and theoretical expertise |
| Collaborator Contribution | PhD studentship; instrument time; expert help; accommodation and substistence |
| Impact | Numerous publications; listed under associated grants in` ResearchFish. |
| Start Year | 2015 |
| Description | Neutron scattering of endofullerenes |
| Organisation | Science and Technologies Facilities Council (STFC) |
| Department | ISIS Neutron and Muon Source |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Provision of samples, concepts, and theoretical expertise |
| Collaborator Contribution | PhD studentship; instrument time; expert help; accommodation and substistence |
| Impact | Numerous publications; listed under associated grants in` ResearchFish. |
| Start Year | 2015 |
| Description | Theory and investigations of nuclear spin isomer conversion (especially in water) |
| Organisation | National institute of Chemical Physics, Tallinn |
| Country | Estonia |
| Sector | Academic/University |
| PI Contribution | Experimental results, theory |
| Collaborator Contribution | Theory, interpretation |
| Impact | none yet |
| Start Year | 2019 |
| Description | Theory and investigations of nuclear spin isomer conversion (especially in water) |
| Organisation | Russian Academy of Sciences |
| Country | Russian Federation |
| Sector | Public |
| PI Contribution | Experimental results, theory |
| Collaborator Contribution | Theory, interpretation |
| Impact | none yet |
| Start Year | 2019 |
| Description | ZULF consortium |
| Organisation | Claude Bernard University Lyon 1 (UCBL) |
| Country | France |
| Sector | Academic/University |
| PI Contribution | Theory, simulations, NMR methodology |
| Collaborator Contribution | Collaborative research |
| Impact | publication DOIs: 10.1016/j.jmr.2019.106645 10.1039/C8CC06636A 10.1063/1.5089486 |
| Start Year | 2017 |
| Description | ZULF consortium |
| Organisation | Italian Institute of Technology (Istituto Italiano di Tecnologia IIT) |
| Country | Italy |
| Sector | Academic/University |
| PI Contribution | Theory, simulations, NMR methodology |
| Collaborator Contribution | Collaborative research |
| Impact | publication DOIs: 10.1016/j.jmr.2019.106645 10.1039/C8CC06636A 10.1063/1.5089486 |
| Start Year | 2017 |
| Description | ZULF consortium |
| Organisation | Jagiellonian University |
| Country | Poland |
| Sector | Academic/University |
| PI Contribution | Theory, simulations, NMR methodology |
| Collaborator Contribution | Collaborative research |
| Impact | publication DOIs: 10.1016/j.jmr.2019.106645 10.1039/C8CC06636A 10.1063/1.5089486 |
| Start Year | 2017 |
| Description | ZULF consortium |
| Organisation | Johannes Gutenberg University of Mainz |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | Theory, simulations, NMR methodology |
| Collaborator Contribution | Collaborative research |
| Impact | publication DOIs: 10.1016/j.jmr.2019.106645 10.1039/C8CC06636A 10.1063/1.5089486 |
| Start Year | 2017 |
| Description | ZULF consortium |
| Organisation | University of Cambridge |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Theory, simulations, NMR methodology |
| Collaborator Contribution | Collaborative research |
| Impact | publication DOIs: 10.1016/j.jmr.2019.106645 10.1039/C8CC06636A 10.1063/1.5089486 |
| Start Year | 2017 |
| Description | ZULF consortium |
| Organisation | University of Turin |
| Country | Italy |
| Sector | Academic/University |
| PI Contribution | Theory, simulations, NMR methodology |
| Collaborator Contribution | Collaborative research |
| Impact | publication DOIs: 10.1016/j.jmr.2019.106645 10.1039/C8CC06636A 10.1063/1.5089486 |
| Start Year | 2017 |
| Description | ZULF consortium |
| Organisation | University of Ulm |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | Theory, simulations, NMR methodology |
| Collaborator Contribution | Collaborative research |
| Impact | publication DOIs: 10.1016/j.jmr.2019.106645 10.1039/C8CC06636A 10.1063/1.5089486 |
| Start Year | 2017 |
| Description | ZULF consortium |
| Organisation | University of York |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Theory, simulations, NMR methodology |
| Collaborator Contribution | Collaborative research |
| Impact | publication DOIs: 10.1016/j.jmr.2019.106645 10.1039/C8CC06636A 10.1063/1.5089486 |
| Start Year | 2017 |
| Description | dDNP collaboration |
| Organisation | Technical University of Denmark |
| Country | Denmark |
| Sector | Academic/University |
| PI Contribution | NMR methodology, theory and experiments. |
| Collaborator Contribution | NMR methodology, theory and experiments. |
| Impact | see grant entries. |
| Start Year | 2016 |
| Description | dDNP collaboration |
| Organisation | University of Cambridge |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | NMR methodology, theory and experiments. |
| Collaborator Contribution | NMR methodology, theory and experiments. |
| Impact | see grant entries. |
| Start Year | 2016 |
| Description | dDNP collaboration |
| Organisation | École Normale Supérieure, Paris |
| Country | France |
| Sector | Academic/University |
| PI Contribution | NMR methodology, theory and experiments. |
| Collaborator Contribution | NMR methodology, theory and experiments. |
| Impact | see grant entries. |
| Start Year | 2016 |
| Description | dDNP collaboration |
| Organisation | École normale supérieure de Lyon (ENS Lyon) |
| Country | France |
| Sector | Academic/University |
| PI Contribution | NMR methodology, theory and experiments. |
| Collaborator Contribution | NMR methodology, theory and experiments. |
| Impact | see grant entries. |
| Start Year | 2016 |
| Title | SpinDynamica |
| Description | Large set of Mathematica packages for analyzing, simulating, and understanding NMR experiments. |
| Type Of Technology | Software |
| Year Produced | 2017 |
| Impact | widely used in NMR community |
| URL | http://www.spindynamica.soton.ac.uk |