Hyperpolarized Nuclear Magnetic Resonance

Lead Research Organisation: University of Southampton
Department Name: School of Chemistry

Abstract

The project involves the theory, development and application of hyperpolarized nuclear magnetic resonance spectroscopy. Theoretical and numerical tools will be developed to understand and predict the behaviour of nuclear spin systems which are far from equilibrium, including hyperpolarized nuclear spin systems. Equipment will be designed and constructed for generating samples in non-equilibrium spin states and for subjecting them to chemical and physical manipulations including some of the following: transport, phase changes, temperature changes, dissolution, and chemical reactions. Methods will be developed and demonstrated for applications of materials in non-equilibrium spin states to chemical, biochemical and/or physical problems.

Publications

10 25 50
publication icon
Bloodworth S (2019) First Synthesis and Characterization of CH 4 @C 60 in Angewandte Chemie International Edition

publication icon
Bloodworth S (2019) First Synthesis and Characterization of CH 4 @C 60 in Angewandte Chemie

Studentship Projects

Project Reference Relationship Related To Start End Student Name
EP/N509747/1 01/10/2016 30/09/2021
1934785 Studentship EP/N509747/1 28/09/2017 30/09/2020 George Bacanu
 
Description Physico chemical properties of non chemically bonded (non-covalent) molecular complexes, atoms/molecules enclosed in carbon cages:
- NMR Properties of methane enclosed in a (C60) carbon cage.
- Carbon-carbon NMR parameters (13C-13C isotope shifts) for carbon fullerene cages.
- Pressure of a single atom/molecule when enclosed in a (C60) carbon cage.
- Observation of textbook "particle in a box" system. Particle being a noble gas inside a (C60) carbon cage acting as the box. Measured by inelastic neutron scattering.
- Observation (far) Infra Red spectra of noble gases enclosed inside a (C60) carbon cage.
- Novel NMR parameter (J-coupling) between non chemically bonded (non-covalent) molecular complexes. J-coupling between 3Helium-13Carbon, which also constitutes the first J-coupling for 3Helium.
Exploitation Route As part of fundamental scientific background for any investigations/applications involving:
- Atomic/molecular confinement.
- Non-bonded (non-covalent) interactions.
- Infra Red and neutron scattering spectroscopy of (confined) molecules and noble gases.
- NMR of non-bonded molecular complexes and NMR of carbon materials.
Sectors Chemicals,Education,Pharmaceuticals and Medical Biotechnology,Other

 
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 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 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 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 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