2023

2. 6. 2023 (Eleventh Annual Meeting of the Centre of Magnetic Resonance, Purdie Theatre B)
Maxie Roessler (Imperial College London): Mechanistic insights into bio- and electrocatalytic reactions from EPR spectroscopy

Valentina Vitali: Basics of BioNMR in solution

Stephen Lee: Using Muon-Spin Rotation (µSR) to Study Exotic Screening Effects in Superconductors

Katrin Ackermann: Investigating native metal ion binding sites in mammalian histidine-rich glycoprotein

Emma Borthwick: Using ¹⁷O solid-state NMR spectroscopy to investigate AlPO-34 and SAPO-34

Stephan Sauer (University of Copenhagen): Calculations of NMR spin-spin coupling constants: New methods and recent successes

Yujie Zhao: Dynamic nuclear polarization on a high-power EPR spectrometer

Russell Morris: ADORable NMR: Studies of the ADOR mechanism for the synthesis of zeolites

Olga Semenova (University of Dundee):Solution conformational analysis of drug-like molecules

Flemming Hansen (University College London):Using deep learning to unleash the full potential of NMR spectroscopy

Yaroslav Khimyak (University of East Anglia): Probing organisation of soft matter using NMR spectroscopy: from supramolecular hydrogels to biomaterials"

List of posters Scientific program Pictures

2022

2. 6. 2022 (Tenth Annual Meeting of the Centre of Magnetic Resonance, Purdie Theatre B)
Melinda Duer (University of Cambridge): Heavy mice and lighter things: using solid-state NMR to understand tissues diseases.

John Walton: Exploring the Chemistry of N-Heterocyclic Carbene Boryl Radicals with EPR Spectroscopy

Janet Lovett: Pulsed Dipolar Spectroscopy: The What and the Why?

David Keeble: EPR studies of Perovskite Oxide Materials

Tomas Lebl: NOMAD and challenges of NMR data mining

Michael Bühl: First-Principles Computation of NMR Chemical Shifts of Paramagnetic Metal-Organic Frameworks

Bela Bode: Rise of the machines - deep learning and AI bring new opportunities for pulse dipolar EPR

Ben Griffiths: Investigating Zeolite Frameworks Utilizing Solid-State NMR Spectroscopy

Justin Ales:Using MRI and fMRI to Study Human Brain Function

Olav Schiemann (University Bonn, Germany): Pulsed Dipolar EPR Spectroscopy: Following Conformational Changes in Biomacromolecules in Vitro and in Cells

List of posters Scientific program Pictures

2021

5.4.21 (online via Zoom)
Prof. Jochen Autschbach (University of Buffalo, NY): Spectroscopy in silico

16.4.21 (online via Teams)
Prof. Marina Benatti (University of Göttingen, Germany): Polarizing nuclear spins with electron and microwaves for magnetic resonance spectroscopy

3.6.21 Second Virtual Meeting of the Centre of Magnetic Resonance (online via Teams)
Scientific program Pictures

2020 25.6.20 First Virtual Meeting of the Centre of Magnetic Resonance (online via Teams) Scientific program Pictures 2019 17.6.19 (Ninth Annual Meeting of the Centre of Magnetic Resonance, Purdie Theatre C) Charlotte Martineau-Corcos (Universilty of Versailles, France): Host-guest interactions in phosphorus-containing microporous solids: a solid-state NMR point of view Euan Kay: Simple NMR experiments for studying multicomponent nanoparticles Maria Oranges: Multi-frequency orientation selective copper(II)-nitroxide RIDME in model systems and proteins David Norman (University of Dundee): An exploration of the structure of a ubiquitin ligase using EPR and crosslinking Ilia Kuprov (University of Southampton): Simulating the whole of Magnetic Resonance Martin Kaupp (Technical University Berlin, Germany): Progress in the computation of magnetic resonance parameters Suzi Pugh A solid-state NMR study of quadrupolar nuclei in zeolites Dusan Uhrin (University of Edinburgh): Removing signal overlap and spin-spin couplings from NMR spectra Christopher Wedge (University of Huddersfield): Optically generated DNP for solution-state NMR spectroscopy Daniel Dawson: Introducing Dynamics to NMR Crystallography of Zeolitic Frameworks Thomas Prisner (University Frankfurt/Main, Germany): Conformational dynamics of DNA and RNA deciphered by EPR List of posters Scientific program Pictures 2018 16.4.18 Enrica Bordignon (University of Bochum, Germany): Why you should use EPR to detect protein conformational changes and local hydration dynamics. 11.6.18 (Eighth Annual Meeting of the Centre of Magnetic Resonance, Purdie Theatre C) Frederic Blanc (Liverpool): High Throughput Structure Determination of Supramolecular Assemblies by Dynamic Nuclear Polarization enhanced NMR Alan Stewart: Circulatory zinc dynamics: its role in coagulation control Charalampos Kapsalis: Identifying the conformational change of a mechanosensitive ion channel using PELDOR spectroscopy John Parkinson (University of Strathclyde): Of Insects, Reptiles and Arachnids: NMR spectroscopy in the landscape of whole venom chemistry Graham Smith: Three Grand Challenges in EPR Ian Marshall (University of Edinburgh): Clinical Magnetic Resonance Joseph McDouall (University of Manchester): Quantum Chemical Studies of Paramagnetic NMR Shifts in f-Element Compounds Arantxa Fernandes: Investigating local structure and disorder in ceramic oxides by NMR crystallography Anokhi Shah: Using gadolinium spin labels to aid in understanding protein structure and function Nicholas Westwood: Saved by the NMR expert: where collaboration has led to new science Eric McInnes (University of Manchester): EPR as a tool in actinide chemistry List of posters Scientific program Pictures 2017 10.2.17 Clare Grey (University of Cambridge): Developing and applying new tools to understand how materials for Li and "beyond-Li" battery technologies function 27.1.17 Chris Kay (University College London): Applications of Paramagnetism in Structural Biology and Materials Research 8.6.17 (Seventh Annual Meeting of the Centre of Magnetic Resonance, Purdie Theatre C) Marina Bennati (MPI Göttingen): From EPR to DNP: polarization of spins for sensitivity enhancement in magnetic resonance Conny Yu: Protein characterization using a combined approach of NMR and EPR Tomas Lebl: Fractionation and DOSY-NMR as a tool for lignin analysis John Griffin (University of Lancaster): New Methods in Solid-State NMR for the study of Functional Materials David Keeble (Dundee): EPR of acceptor doped ferroic perovskite oxides Giulia Bignami Exploiting Isotopic Enrichment to Understand Microporous Solids Patrick Fowler (University of Sheffield): Modelling ring currents in aromatics Sonia Chabbra: Monitoring ethylene tetramerization catalysis using in-situ EPR spectroscopy Michael Bühl: Modelling paramagnetic NMR chemical shifts of phenolic oxime copper complexes Claire Motion: Improving sensitivity using composite pulses at 94 GHz Marcel Utz (Univerity of Southampton): Integration of NMR with Microfluidic Devices for the Study of Live Systems List of posters Scientific program Pictures 2016 18.5.16 Benesh Joseph (University of Frankfurt,Germany): In-cell EPR spectroscopy of membrane transporters in E. coli 6.6.16 (Sixth Annual Meeting of the Centre of Magnetic Resonance, Purdie Theatre C) Jason Schnell (Oxford): Molecular mechanisms in stabilisation of ER tubules by the DP1/Reticulon proteins Michael Stevens (Dundee) Investigating the conformation of Muscle Ring Finger Protein 1 using pulsed electron paramagnetic resonance Christos Pliotas Investigation of the gating mechanism of ion channels by pulsed-EPR Stephen Sproules (Glasgow) Carbonaceous Fallout from Methanol Conversion Petr Kilian NMR of sterically interlocked molecules: Magnetic inequivalence and through space couplings Karen Johnston (Durham) Natural abundance 14N and 15N solid-state NMR studies of pharmaceuticals and their polymor phs Olga Malkina (Bratislava): New tools for interpretation of indirect nuclear spin-spin couplings Andrew Rankin Applications of Solid-State NMR to the Characterisation of Industrial Catalysts David McKay Solid-State Structure and NMR Parameters from Random Geometries and DFT Will Kew (Edinburgh) Analysis of Scotch Whisky by NMR and Statistical Methods Klaus Lips (Berlin): Ultra-Sensitive in-operando detection and imaging of paramagnetic defects in silicon solar ce lls List of posters Scientific program Pictures 2015 8.6.15 (Fifth Annual Meeting of the Centre of Magnetic Resonance, Purdie Theatre C) Jonathan Yates (Oxford): Recent developments in the prediction of NMR parameters in solids Paula Sanz Camacho: Studying non-covalent interactions in chalcogen-containing materials Derek Woollins: My life and times using NMR and EPR John Walton: EPR Study of the Radicals Released by Designer Oximes David Norman: What is the limit of distance measurement by EPR? Beat Meier (ETH Zürich): Protein stucture determination from microgramm sample amounts using fast MAS Laurent Le Polles (Rennes): 95Mo solid state NMR for the characterisation of molybdenum cluster compounds Daniel Dawson: Structural Insights into Metallophosphate Zeolites from Solid-State NMR Angeliki Giannoulis: Spin 1/2 Transition Metal Ions in PELDOR Spectroscopy Graham Smith: Low or Zero Deadtime Pulsed EPR Heinz-Jürgen Steinhoff (Osnabrück): EPR and DEER reveal conformational heterogeneity and dynamics of membrane protein complexes List of posters Scientific program Pictures 2014 13.2.14 Prof. Frank Neese (MPI Mülheim, Germany): Combined spectroscopic and quantum chemical studies on single molecule magnets 2.6.14 (Fourth Annual Meeting of the Centre of Magnetic Resonance, Purdie Theatre C) Sabine van Doorslaer (Antwerp): Globin proteins - a surprising playground for EPR spectroscopy Janet Lovett: Current Progress and Plans for using Dipolar Spectroscopy to Investigate Biological Structure Fanny Tran: Use of NMR to characterise and analyse lignins Silvia Valera: PELDOR and multi-spin systems: on the way to true distance distributions Michael Bühl: Computational NMR spectroscopy of fluorinated hydrocarbons Christian Ochsenfeld (Munich): Quantum-chemical calculation of NMR spectra for large molecules Scott Sneddon: Calculating NMR parameters in aluminophosphates David Keeble: Electrically detected magnetic resonance: methods, and application to solar cell materials Russell Morris: Solid-state NMR of MOFs and Zeolites Graham Smith Orientational Peldor Melinda Duer (Cambridge): Heavy mice and lighter things: using NMR to elucidate molecular structure in tissues List of posters Scientific program Pictures 2013 7.2.13 Prof. Jörg Matysik (Uni Leipzig, Germany): The solid-state photo-CIDNP effect 10.6.13 (Third Annual Meeting of the Centre of Magnetic Resonance, Purdie Theatre C) Mark Newton: Spin Physics with colour centres in diamond Steve Wimperis: Some new developments in solid-state NMR David O'Hagan: Some fluorinated rings and things Chris Pickard: Computational high throughput NMR Sharon Ashbrook: Disorder in high-pressure silicates: Multinuclear NMR spectroscopy and first-principles calculations Michael Bühl: Weak Te,Te bonding through the looking glass of NMR spin-spin coupling Dave Norman: Characterisation and use of the Rx bifunctional spin label in orientational measurements by pulsed EPR Katrin Ackermann: Structural studies of streptococcal M protein - What can we learn from NMR and EPR? Hassane El Mkami: EPR and magnetic studies of a novel copper Metal Organic Framework (STAM-I) Jim Naismith : Using PELDOR to look at conformational states of membrane proteins. Burkhard Luy: Residual Dipolar Couplings and Optimal Control Theory: New Developments in Modern NMR Spectroscopy List of posters Scientific program Pictures 11.6.13 (Short talks by PhD students from the iCMR Centre for Doctoral Training, Warwick) Stephen Day: Complimentary GIPAW DFT computational and solid state NMR approaches to studying disordered apatite systems Mika Tamski: Electrochemical Electron Paramagnetic Resonance utilizing micro-electrodes and loop gap resonators Matthew Dale: Quantifying NV- 2012 8.6.12 (Second Annual Meeting of the Centre of Magnetic Resonance, Purdie Theatre C) Paul Hodgkinson (Durham University): Using NMR and computational chemistry to study solid-state structure and dynamics Paul A. Wright: How solid-state NMR can help us in the study of microporous zeolites and MOFs as catalysts and adsorbents Doug Philp: Integrating Replication Processes with Mechanically-interlocked Molecular Architectures Jonathan Goodman (University of Cambridge): Small molecule structures: how can calculations help experiments? Tanja van Mourik: Modelling zwitterions in solution through computation of NMR spin-spin couplings: 3-fluoro-gamma-aminobutyric acid (3F-GABA) Michael Bühl: On the origin of isotope effects on 195Pt NMR chemical shifts. Daniel Dawson: Acquisition, Assignment and Uses of Solid-State 13C NMR Spectra of Paramagnetic Metal-Organic Frameworks Gunnar ieginsson: Trityl: A new spin label for nanometer distance measurements Peter Heathcote: Studying the geometry of radical pairs in Photosystem I: Quantum oscillations in two-dimensional EPR. Bela Bode: The R-factor of pulsed dipolar spectroscopy - do we need quality assurance? Gunnar Jeschke (ETH Zürich): New developments in dipolar EPR of spin labels List of posters Scientific program Pictures 2011 12.3.11 (Annual Meeting of the Centre of Magnetic Resonance, Purdie Theatre C) Christiane Timmel (University of Oxford): Spin-selective recombination kinetics of a carotenoid- porphyrin-fullerene biradical: an EPR study. Graham Smith: Extracting Quantitative Orientational Information from PELDOR measurements Janet Lovett: How do you solve a problem like mtssl? Martin Kaupp (Technical University Berlin): Recent results from the quantum-chemical route to NMR and EPR parameters. Ragnar Bjornsson: Modelling environmental effects on transition metal NMR properties. John Griffin: Structural Insight into Hydrated Inner-Earth Minerals by Solid-state NMR and DFT Calculations. Jeremy Titman (University of Warwick): What has solid-state NMR ever done for us? Structure and Dynamics of Molecules and Materials. Tomas Lebl: Residual Dipolar Couplings Analysis of Small Molecules. Uli Schwarz-Linek: NMR Analysis of Bacterial Surface Proteins David Keeble: Electron paramagnetic resonance and electrically detected magnetic resonance of organic semiconductor thin films and devices. Olav Schiemann: Assessing conformational states of Biomacromolecules with PELDOR. List of posters Scientific program Pictures 11.5.11 Prof. Eric Hustedt (Vanderbilt University): Site-Directed Spin-Labeling Studies of the Cytoplasmic Domain of Band 3 Protein (CDB3) 15.9.11 Dr. Alan Drew (Queen Mary University London) Local probe investigation of spin transport and dynamics in organic semiconductors) 2010 14.1.10 Uli Schwarz-Linek: NMR analysis of bacterial surface proteins 11.2.10 Thomas Lebl: 3D Adventures in the World of Small Molecules 25.2.10 Jerome Cuny (Ecole Nationale Superieure de Chimie de Rennes, France): 95Mo Solid-state NMR and modelling: convergent tools for new material development 11.3.10 Tanja van Mourik: NMR parameters of small molecules computed with electronic structure theory: From FGABA to guanine quartets. 18.3.10 David Norman: The effect of protein deuteration on EPR relaxation and its application to distance measurement 7.4.10 (Wednesday) Snorri Sigurdsson (University of Iceland): Novel Spin Labels for Nucleic Acids 15.4.10 Douglas Philp: Analyse this... Using NMR to unravel the workings of chemical systems 20.5.10 David Keeble: Point Defect Physics and Chemistry of Perovskite Oxides: Insight from Electron Magnetic Resonance 29.6.10 (Purdie Theatre D) Klaus R. Koch (University of Stellenbosch, South Africa): What's in a 195Pt chemical shift? Isotope effects in 195Pt high-resolution NMR: Unambiguous assignment method of all [PtX6-n(H2O)n]n-2 (X = 35/37Cl / 79/81Br, n = 0-5) complexes in aqueous solution. 16.12.10 Graeme Hanson (University of Queensland, Australia): Insights into Metal Ion Mutagenesis and Catalysis of Dinuclear Mn Metallohydrolases Utilising EPR Spectroscopy 2009 8.1.09 Dr. Chandrima Pal (St Andrews, Biology): EPR studies on DNA damaged by heavy atom irradiation 22.1.09 Dr. Walter Köckenberger (Nottingham, Physics): Solution DNP combined with fast 2D techniques 12.2.09 Dr. David J. Keeble (Dundee, Physics): EPR and EDMR Studies of Organic Semiconductors 26.2.09 Prof. Lesley Yellowlees (Edinburgh, Chemistry): EPR Spectroelectrochemical Studies of Reduced Species 12.3.09 Dr. John W. Ingledew (St Andrews, Biology): Use of EPR to investigate interactions in DNA processing enzymes 19.3.09 Prof. Jens Wöhnert (Frankfurt (Germany), Biology): Structure and ligand recognition of riboswitches and the ribosome assembly factor Nep1 26.3.09 Prof. Steve Lee (St Andrews, Physics): Using Muon Spin Rotation to Probe Classical Correlations in Superconducting Vortex Systems 8.4.09 (Wednesday, Chemistry Colloquium) Prof. Mark E. Smith (Warwick, Chemistry): Recent Progress in Solid-State NMR at Warwick: Low-Gamma Nuclei, 17O NMR of Biomolecular Solids and Dynamic Nuclear Polarization 24.4.09 Prof. Malcolm H. Levitt: Singlet Nuclear Magnetic Resonance 4.6.09 Prof. Andrew J. Thomson: Title t.b.a. 29.10.09 Graham Smith: Application Potential for HIPER 19.11.09 Robert Hagan: Mapping of the solution structure of a coiled-coil protein 3.12.09 Sharon Ashbrook: Investigating Structure, Order and Dynamics in Silicates using Multinuclear NMR and First-Principles Calculations 17.12.09 Michael Bühl Computational Transition Metal NMR Spectroscopy 2008 10.1.08 Prof Douglas Philp: Self-replicating systems and NMR Dr Petr Kilian: Synthesis of stable phosphorus centred radicals 23.1.08 Prof Peter Heathcote: The structure and function of the photosystem I reaction centre and the contribution from advanced EPR spectroscopy 24.1.08 Dr Sharon Ashbrook: Solid State NMR Dr Tim Craggs: CIDNEP 14.2.08 Dr Tanja van Mourik: Calculating MR parameters of single molecules Dr Uli Schwarz-Linek: Protein NMR 13.3.08 Dr Graham Smith: High-Field EPR and DNP 20.3.08 Dr David Keeble: EPR of Materials and Devices; a focus on electrically detected EPR 27.3.08 Prof Michael Bühl: Calculating NMR Parameters Dr Richard Ward: PELDOR on biological systems 19.4.08 Prof Eric McInnes: EPR spectroscopy a probe for electronic structure in molecular magnets 15.5.08 Dr Bela Bode: PELDOR involving Copper and Spin Counting 22.5.08 Dr John Walton: Reaction mechanisms studied by EPR 19.6.08 Dr Paul Wright: NMR studies of Structure and Dynamics in Microporous Solids 16.10.08 Dr. Robert Hunter: Millimetre Wave Instrumentation for Magnetic Resonance Applications 23.10.08 Dr. Tomas Lebl (St Andrews, Chemistry): Stereochemistry and Dynamic Behaviour of Molecules in Solution 30.10.08 Dr. David J. Tozer (Durham, Chemistry): Magnetic response parameters from density functional theory 6.11.08 Prof. Russell E. Morris (St Andrews, Chemistry): X-ray diffraction and solid state NMR - Complementary studies of zeolites and porous materials 20.11.08 Dr. John Griffin (St Andrews, Chemistry): Probing Dynamics in Inner-Earth Materials using First-Principles DFT calculations and 17O Solid-State NMR 11.12.08 Prof. Christian Griesinger (MPI Göttingen, Germany): Bruker Lecture and Opening Lecture of the Centre 18.12.08 Dr. David G. Norman (Dundee, Biology): PELDOR and CW EPR studies on the structure and dynamics of the core histone tetramer and octamer 2007 20.12.07 O. Schiemann: PELDOR beyond Distance measurements C. Pickard: Computation of Magnetic Resonance Parameters University of St Andrews/ Schools of Biology/ Physics/ Chemistry/ Centre for Biomolecular Science Last modified 12 Jan 2024 /mb