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 Reginsson: 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
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
Prof. Eric Hustedt (Vanderbilt University):
Site-Directed Spin-Labeling Studies of the Cytoplasmic Domain of Band 3 Protein (CDB3)
Dr. Alan Drew (Queen Mary University London)
Local probe investigation of spin transport and dynamics in organic semiconductors)
Uli Schwarz-Linek: NMR analysis of bacterial surface proteins
Thomas Lebl: 3D Adventures in the World of Small Molecules
Jerome Cuny (Ecole Nationale Superieure de Chimie de Rennes, France): 95Mo Solid-state NMR and modelling:
convergent tools for new material development
Tanja van Mourik: NMR parameters of small molecules computed with electronic structure theory: From FGABA to guanine quartets.
David Norman: The effect of protein deuteration on EPR relaxation and its application
to distance measurement
Snorri Sigurdsson (University of Iceland): Novel Spin Labels for Nucleic Acids
Douglas Philp: Analyse this... Using NMR to unravel the workings of chemical systems
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.
Graeme Hanson (University of Queensland, Australia): Insights into Metal Ion Mutagenesis and Catalysis of Dinuclear Mn Metallohydrolases Utilising EPR Spectroscopy
Dr. Chandrima Pal (St Andrews, Biology):
EPR studies on DNA damaged by heavy atom irradiation
Dr. Walter Köckenberger (Nottingham, Physics):
Solution DNP combined with fast 2D techniques
Dr. David J. Keeble (Dundee, Physics):
EPR and EDMR Studies of Organic Semiconductors
Prof. Lesley Yellowlees (Edinburgh, Chemistry):
EPR Spectroelectrochemical Studies of Reduced Species
Dr. John W. Ingledew (St Andrews, Biology):
Use of EPR to investigate interactions in DNA processing enzymes
Prof. Jens Wöhnert (Frankfurt (Germany), Biology):
Structure and ligand recognition of riboswitches and the ribosome assembly factor Nep1
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
Prof. Malcolm H. Levitt:
Singlet Nuclear Magnetic Resonance
Prof. Andrew J. Thomson:
Graham Smith: Application Potential for HIPER
Robert Hagan: Mapping of the solution structure of a coiled-coil protein
Sharon Ashbrook: Investigating Structure, Order and Dynamics in Silicates using Multinuclear NMR and First-Principles Calculations
Michael Bühl Computational Transition Metal NMR Spectroscopy
Prof Douglas Philp: Self-replicating systems and NMR
Dr Petr Kilian: Synthesis of stable phosphorus centred radicals
Prof Peter Heathcote: The structure and function of the photosystem I reaction centre and the contribution from advanced EPR spectroscopy
Dr Sharon Ashbrook: Solid State NMR
Dr Tim Craggs: CIDNEP
Dr Tanja van Mourik: Calculating MR parameters of single molecules
Dr Uli Schwarz-Linek: Protein NMR
Dr Graham Smith: High-Field EPR and DNP
Dr David Keeble: EPR of Materials and Devices; a focus on electrically detected EPR
Prof Michael Bühl: Calculating NMR Parameters
Dr Richard Ward: PELDOR on biological systems
Prof Eric McInnes: EPR spectroscopy a probe for electronic structure in molecular magnets
Dr Bela Bode: PELDOR involving Copper and Spin Counting
Dr John Walton: Reaction mechanisms studied by EPR
Dr Paul Wright: NMR studies of Structure and Dynamics in Microporous Solids
Dr. Robert Hunter:
Millimetre Wave Instrumentation for Magnetic Resonance Applications
Dr. Tomas Lebl (St Andrews, Chemistry):
Stereochemistry and Dynamic Behaviour of Molecules in Solution
Dr. David J. Tozer (Durham, Chemistry):
Magnetic response parameters from density functional theory
Prof. Russell E. Morris (St Andrews, Chemistry):
X-ray diffraction and solid state NMR - Complementary studies of zeolites and porous materials
Dr. John Griffin (St Andrews, Chemistry):
Probing Dynamics in Inner-Earth Materials using First-Principles DFT calculations and
17O Solid-State NMR
Prof. Christian Griesinger (MPI Göttingen, Germany):
Bruker Lecture and Opening Lecture of the Centre
Dr. David G. Norman (Dundee, Biology):
PELDOR and CW EPR studies on the structure and dynamics of the core histone tetramer and octamer
O. Schiemann: PELDOR beyond Distance measurements
C. Pickard: Computation of Magnetic Resonance Parameters