Very-High Field NMR in the Physical and Life Sciences at the University of Liverpool

Lead Research Organisation: University of Liverpool
Department Name: Chemistry

Abstract

The objectives of the proposal are to upgrade and reconfigure the existing 800 MHz solution-state NMR spectrometer to a dual solution-solid NMR spectrometer. This dual configuration is similar to other NMR systems successfully used worldwide and is strategically differentiated from any of the existing UK high field provision. The upgraded system will provide opportunities to do new science not previously possible in Liverpool and the UK, in both academia and industry. In addition, the new system will become one component of the UK hub and spoke network of NMR instrumentation, with up to 30% of its time offered to the wider UK research community across the physical and life sciences, and is configured to complement other high field instruments (> 600 MHz), providing the flexibility for NMR infrastructure at the highest available field to respond to changes in research priorities and opportunities.
NMR spectroscopy is the most versatile of all the analytical tools; it provides insights into molecular structure, dynamics, and interactions. The higher sensitivity and resolution delivered with very-high field NMR are transformative, providing information not accessible at lower field strength.
The new dual solution-solid capabilities will support, extend and enhance research activities where there is excellence in the region and UK-wide (see Academic Beneficiaries) such as advanced chemical- and bio- materials, renewable energy, industrial biotechnology, personalised medicine and human/animal health. They will also strengthen and/or catalyse new academic-industrial collaborations, focusing on and exploiting areas of priority to the region and the UK. Examples include:
(1) Structure determination of biological and chemical molecules and supra-molecular aggregates in solution and solid states;
(2) Folding of linear polypeptides into complex biologically-active 3D structures, and the ways in which these processes can be altered or subverted in neurodegenerative diseases and cancer;
(3) Catalytic processes, and the detailed analysis of the structure and dynamics of complex materials;
(4) Metabolism within intact cells and organisms.
UK research support targets strengthening the UK's competitive position in key priority areas. By upgrading to state-of-the-art instrumentation, the proposed 800 MHz upgrade will enable UK research communities to continue to make major contributions across the range of research challenges aligned with national agendas and strategic priorities, and to respond rapidly and flexibly to initiatives such as the Industrial Strategy Challenge and the Global Challenges Research Funds.
We will deliver on this major investment in NMR by:
(1) Progressing a challenging scientific agenda based on national priorities such as advanced materials, renewable energy, industrial biotechnology and synthetic biology, and core health challenges;
(2) Ensuring that the UK is at the forefront of NMR technique development in both solution and solid state, by capitalising on our collective knowledge and experience, and providing training to the community through courses and summer schools;
(3) Attracting industrial support, partnerships and engagement, founded upon a strong collective track record of using our scientific capabilities and assets to support economic growth;
(4) Maximising the effective use of capital assets to ensure efficient provision of NMR access, building on our pioneering experience in equipment sharing of the N8, and operating and managing national facilities, within a long-term sustainability plan;
(5) Aligning with the core individual institutional strategy of the University, as demonstrated by substantial institutional contributions towards the costs;
(6) Developing annual reporting systems and symposia to disseminate findings and open new research strategies, and monitoring performance using defined Key Performance Indicators.

Planned Impact

The proposed upgrades will, through its interaction with the internationally-leading and interdisciplinary Centres of Excellence in the region and UK-wide, impact on a broad spectrum of UK industries, including:
(1) Supporting and growing the UK chemical industry. The sector has a turnover exceeding £50Bn and over 180,000 employees working in 3000 organizations, and represents around 10% of value added in UK manufacturing, equivalent to 2.2% of GDP;
(2) Strengthening the UK's competitiveness in the global market for advanced functional materials, which is expected to generate revenue of £85Bn by 2018 and is one of the UK government's 8 Great Technologies, representing 15% of the country's GDP. New and accelerated approaches to designing functionality into molecules, components and processes are required, which will be based on understanding structure- property-process relationships;
(3) Enhancing the UK's role in the development of renewable energy generation and storage and in the mitigation of anthropomorphic climate effects. Over the last six years, the UK's solar photovoltaic capacity has increased from virtually nothing to more than 11,000 MW, with significant economic impact (turnover > £6Bn, providing > 30,000 jobs in 2013). The development of more efficient solar photovoltaic devices, and of photocatalytic processes, relies on the characterization of ultrafast charge carrier dynamics and loss processes;
(4) Providing state-of-the-art infrastructure for the UK biomedical-life science sector, which has a turnover in the region of £50Bn. The life sciences cluster in the North of England alone accounts for between 21% and 23% of the UK sector, with 925 companies employing 38,000 people and generating £10.9Bn in turnover. This spans Pharmaceuticals, Biotechnology, Analytics, Diagnostics, Contract research, Contract manufacturing, Medical devices, Healthcare;
(5) Guiding advances in industrial biotechnology (IB), which is a burgeoning area and a cornerstone of the European IB economy that will transform industries as varied as chemicals, waste, energy and plastics with a combined value of £81Bn and 800,000 UK jobs. The N8 region is very well placed to capitalise on and contribute to this economic explosion, with its unique interdisciplinary profile in biotechnology and its strong connections with industrial stakeholders in Europe and internationally. For example the Centre of Excellence in Biopharmaceuticals alone has engaged with 52 companies, both SMEs and larger organisations, in the region, the UK and internationally;
(6) Advancing the UK's global standing in the emerging area of nanomedicines and nanomaterial-based therapies. Global clinical use of nanomedicines benefits patients daily and has considerable market value, predicted to be > £120Bn this year. The development and validation of new nanomedicines and delivery technologies require optimization of product performance, and demonstration of pharmaceutically-relevant manufacturing and in-man pharmacokinetic studies. Apart from their economic impact, development and optimization of nanomedicine and nanomaterial-based therapies will have a significant impact on life expectancy and quality of life.

Publications

10 25 50
 
Description The aim of this proposal is to upgrade the very-high (800 MHz) field NMR facility at the University of Liverpool (UoL) which will provide the UoL and UK research community with access to world-leading, state-of-the-art NMR instrumentation. The Facility will provide scientific expertise, technical support and assistance to users, benefiting the physical and life sciences research communities as a whole as well as the NMR research community.
The proposed Facility has so far:
(1) Procure and upgrade the existing 800 MHz solution-state NMR spectrometer in Liverpool to be reconfigured as a dual solution-solid state system to provide new capability for solid state NMR, meeting this local and regional need and ensuring that we can rapidly react to changes in demand.
(2) Underpin, enable and extend the world-leading research of the UoL, the north and the UK, greatly enhancing capability, capacity and efficiency in NMR infrastructure, and allow the UoL and the UK to continue to be internationally competitive in its ability to tackle important scientific problems across the physical and life sciences.
(3) Ensure that the very-high field solid-state system is available to the UK wide community and that this new capability is used optimally, for those experiments in any project that will obtain a decisive advantage from the use of the high field.
(4) Drive for a comprehensive UK-wide network of shared access and expertise, which will allow the UK high field NMR infrastructure to achieve scientific excellence and optimise resource allocation. This includes aspiration to facilitate a single point of access to cutting-edge NMR equipment and expertise for a wide range of academic and industrial users.
(5) Engage fully with the other UK NMR centres whose infrastructures constitute the spokes of a national hub and spoke network. These are invaluable both for resource-intensive NMR projects and for the development of next-generation experiments. Our engagement will be UK-wide wherever possible.
Exploitation Route Being strongly involved in the network of interconnected very and ultra high field NMR facilities in the UK; lead PI of the national Connect NMR UK network
Sectors Chemicals

Construction

Education

Energy

Environment

Healthcare

Culture

Heritage

Museums and Collections

Pharmaceuticals and Medical Biotechnology

Transport

URL https://www.connectnmruk.ac.uk
 
Description Regional research facilities used by the industrial sectors as capabilities are not accessible to them. This create cultural impact (ways of working, research partnership), and economic impact (product development for the industrial sector, research partnership).
First Year Of Impact 2020
Sector Chemicals,Digital/Communication/Information Technologies (including Software),Education,Electronics,Energy,Environment,Healthcare,Pharmaceuticals and Medical Biotechnology,Transport
Impact Types Cultural

Societal

Economic

 
Description PG course in NMR spectroscopy
Geographic Reach Local/Municipal/Regional 
Policy Influence Type Citation in systematic reviews
Impact Knowledge transfer
 
Description Connect NMR UK: A National NMR Network for the Physical and Life Sciences
Amount £344,249 (GBP)
Funding ID EP/S035958/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 09/2019 
End 09/2024
 
Description DTP CASE
Amount £81,000 (GBP)
Organisation Biotechnology and Biological Sciences Research Council (BBSRC) 
Sector Public
Country United Kingdom
Start 09/2020 
End 10/2024
 
Description Decarbonising the Surfactant and Functional Polymer Value Chains by enzymatic processes
Amount £4,091,214 (GBP)
Funding ID BB/Y003292/1 
Organisation Biotechnology and Biological Sciences Research Council (BBSRC) 
Sector Public
Country United Kingdom
Start 09/2024 
End 10/2029
 
Description How tensins transform focal adhesions into fibrillar adhesions and phase separate to form new adhesion signalling hubs.
Amount £676,865 (GBP)
Funding ID BB/Y005414/1 
Organisation Biotechnology and Biological Sciences Research Council (BBSRC) 
Sector Public
Country United Kingdom
Start 06/2024 
End 06/2027
 
Description NMR at 1.2 GHz: A World-Leading UK Facility to Deliver Advances in Biology, Chemistry, and Materials Science
Amount £23,187 (GBP)
Funding ID EP/X019756/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 01/2023 
End 12/2027
 
Description PhD studentship EPSRC iCASE Award with Johnson Matthey
Amount £119,000 (GBP)
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 08/2021 
End 08/2025
 
Description PhD studentship partiallly funded by BMS
Amount £65,000 (GBP)
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 08/2022 
End 08/2025
 
Description Post-Consumer Resin - Understanding the quality-performance linkage for packaging
Amount £751,327 (GBP)
Funding ID NE/V010778/1 
Organisation Natural Environment Research Council 
Sector Public
Country United Kingdom
Start 11/2020 
End 10/2023
 
Description Pushing the Limits of High-Field Solid-State NMR Technology: Enhancing Applications to Advanced Materials, the Life Sciences and Pharmaceuticals
Amount £1,500,000 (GBP)
Funding ID EP/Y026683/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 06/2024 
End 06/2027
 
Description Research Grant Institutional Sponsorship - BIOTECHNOLOGY & BIOLOGICAL SCIENCE RESEARCH COUNCIL BBSRC International Award
Amount £15,000 (GBP)
Organisation University of Liverpool 
Sector Academic/University
Country United Kingdom
Start 03/2024 
End 06/2024
 
Description The UK High-Field Solid-State NMR National Research Facility
Amount £2,431,377 (GBP)
Funding ID EP/T015063/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 01/2020 
End 01/2025
 
Description University of Liverpool Innov Placements
Amount £66,049 (GBP)
Funding ID EP/S515498/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 08/2018 
End 03/2020
 
Title Information sharing of available capabilities 
Description Website describing the available capabilities 
Type Of Material Improvements to research infrastructure 
Year Produced 2020 
Provided To Others? Yes  
Impact Wider engagement from the community 
URL https://www.connectnmruk.ac.uk
 
Title NMR analysis of complex mixtures 
Description We developed and implemented 2D NMR methodology for the analysis of complex biomolecules and mixtures. The method is based on a combination of NMR experiments and software for the automated analysis of NMR spectra. 
Type Of Material Improvements to research infrastructure 
Year Produced 2022 
Provided To Others? No  
Impact Introduced the method into the analysis of surfactant-based formulations and skin fat. 
 
Title Nuclear Magnetic Resonance UK Network Connect NMR UK 
Description Discussion forum between Nuclear Magnetic Resonance facilities 
Type Of Material Improvements to research infrastructure 
Year Produced 2019 
Provided To Others? No  
Impact N/A yet 
 
Title Nuclear Magnetic Resonance at Very High Field 
Description New Capital Equipment operating as Regional Research Facilities 
Type Of Material Improvements to research infrastructure 
Year Produced 2018 
Provided To Others? Yes  
Impact New chemical and biological systems can be studied 
URL https://www.liverpool.ac.uk/integrative-biology/facilities-and-services/nmr-centre-for-structural-bi...
 
Title Quantitative 2D NMR analysis 
Description zNMR software for the quantitative analysis of 2D HSQC NMR spectra 
Type Of Material Data analysis technique 
Year Produced 2022 
Provided To Others? No  
Impact We applied the method to analyse complex biomaterials and biological mixtures. 
 
Description 2D NMR analysis of complex mixtures 
Organisation Unilever
Department Unilever UK R&D Centre Port Sunlight
Country United Kingdom 
Sector Private 
PI Contribution We developed a quantitative method based on 2D NMR spectroscopy for the analysis of complex biological mixtures.
Collaborator Contribution Financial contribution funded the analysis software development and method validation.
Impact Prototype software for the integration of the high-resolutions 2D HSQC NMR spectra. Validation of the approach on a set of test mixtures of biodetergents. Pilot analysis of spectra.
Start Year 2022
 
Description Bruker UK 
Organisation Bruker Corporation
Country United States 
Sector Private 
PI Contribution Research team provides a platform for dissemination of best practise
Collaborator Contribution Partner provides expertise and best practice
Impact Provision of expertise by staff members and dissemination of best practice
Start Year 2019
 
Description GSK 
Organisation GlaxoSmithKline (GSK)
Country Global 
Sector Private 
PI Contribution User engagement
Collaborator Contribution User engagement
Impact Sharing of facilities
Start Year 2021
 
Description Innovia Films 
Organisation Innovis Films Ltd
Country United Kingdom 
Sector Private 
PI Contribution Provision of equipment time and consulting
Collaborator Contribution Provision of materials
Impact Not yet applicable. Multi-displinary
Start Year 2020
 
Description Koura Global 
Organisation Koura Global
Department Koura Global, UK
Country United Kingdom 
Sector Private 
PI Contribution Use of facilities
Collaborator Contribution Provision of research samples
Impact Multidisplinary - NMR and materials
Start Year 2020
 
Description NMR at 1.2 GHz: A World-Leading UK Facility to Deliver Advances in Biology, Chemistry and Materials Science 
Organisation University of Warwick
Country United Kingdom 
Sector Academic/University 
PI Contribution Collaborative project securing £17M from UKRI for the next generation of NMR system
Collaborator Contribution Collaborative project securing £17M from UKRI for the next generation of NMR system: partner led the bid
Impact Too early
Start Year 2022
 
Description NMR partnership across the Faculties at the University of Liverpool 
Organisation University of Liverpool
Country United Kingdom 
Sector Academic/University 
PI Contribution Access to facilities and expertise in solid-state NMR
Collaborator Contribution Access to facilities and expertise in liquid-state NMR
Impact Provision of access to facilities
Start Year 2017
 
Description Polysaccharide sulfation 
Organisation Unilever
Department Unilever UK R&D Centre Port Sunlight
Country United Kingdom 
Sector Private 
PI Contribution We conducted the NMR analysis of biomaterials.
Collaborator Contribution In-kind contribution to cover part of the research project.
Impact Publications: 10.1039/D1OB02071D, 10.1039/d2ra01463g, 10.1016/j.carres.2020.108225
Start Year 2021
 
Description The UK Solid State NMR National Research Facility 
Organisation University of Warwick
Country United Kingdom 
Sector Academic/University 
PI Contribution Management of the UK Solid State NMR National Research Facility
Collaborator Contribution Co-management of the UK Solid State NMR National Research Facility
Impact Scientific output from the Facility at https://warwick.ac.uk/fac/sci/physics/research/condensedmatt/nmr/850/publications/
Start Year 2020
 
Description The collaborative computational project for NMR (CCPN): supporting biological NMR for the biosciences, medicine and industry (PI Prof G Vuister, University of Leicester,MRC grant: MR/V000950/1) 
Organisation University of Leicester
Department Department of Molecular and Cell Biology
Country United Kingdom 
Sector Academic/University 
PI Contribution We collaborate with CCPN on two important areas: - We have jointly designed and implement and new deposition module to efficiently prepare datasets for deposition, including the associated metadata and annotation of the metabolites, in a much more rapid and consistent manner as promoted by community standards - We are implementing and testing the specific tools and workflows for the non-expert users (i.e. clinicians) and delivering subsequent training
Collaborator Contribution CCPN has developed a graphics-based, adaptable and easy extendable NMR data analysis software platform for users which covers all aspects of biological NMR, including small molecule applications in NMR-based metabolomics and NMR-based screening. Their efforts are focused on easy spectrum visualisation and interpretation, smart tools for data analysis, NMR-based structure calculation and validation.
Impact Alpha version of software developed. Dissemination, Publications and Software roll-out expected in 12-18 months.
Start Year 2020
 
Description Bruker UK Users Meeting - Satellite Workshop - SampleJet Automation 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact Monday 20th of November SampleJet Automation and Optimisation for the BioSciences Workshop
IconNMR Optimisation for Samplejet & SampleJet Optimisation. Training and dissemination of best practice in automation routines for NMR within the field of biosiences. Inddustry and national facilities in attandence to discuss best practice and ways in which the technology can be developed further for highthroughput and standarised analysis.
Year(s) Of Engagement Activity 2023
URL https://www.bruker.com/it/news-and-events/events/uk-um.html?utm_source=Email&utm_medium=Enews&utm_ca...
 
Description EPSRC Analytical Science workshop 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Industry/Business
Results and Impact Food for thoughts gathering exercise from the council
Year(s) Of Engagement Activity 2019
 
Description Organisation of a workshop "how to run NMR facilities under Covid" 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact Workshop to discuss access to scientific instrument during Covid
Year(s) Of Engagement Activity 2020
 
Description Pint of Science Outreach Event 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach Regional
Primary Audience Public/other audiences
Results and Impact Outreach even to the general public highlighting recent research output in Chemistry at Liverpool
Year(s) Of Engagement Activity 2018
URL https://pintofscience.co.uk/event/invisible-science
 
Description Research Tours for Applicant Discovery Activities - Prospective students 
Form Of Engagement Activity Participation in an open day or visit at my research institution
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Schools
Results and Impact Applicant Discovery Activities are a unique series of events designed to give our offer holders a thorough understanding of what to expect from their chosen subject area, plus a sneak peek into student life at Liverpool.
All prospective students who have an offer to begin their studies will receive an email inviting them to book their Applicant Discovery Activities.
Year(s) Of Engagement Activity 2018,2019,2021,2022,2023,2024
URL https://www.liverpool.ac.uk/undergraduate/applying/after-you-apply/applicant-discovery-activities/