Videos
1H Detection, MAS & High Fields for Membrane Proteins
During the 49th session of the Global NMR Discussion Meetings held on June 14, 2022 via Zoom, Dr. Loren Andreas from Max Planck Institute for Multidisciplinary Sciences gave a talk on the topic "Proton Detection, Magic-Angle Spinning and High Magnetic Fields for Membrane Protein Structural ". The recording serves as a tutorial.
Abstract:
I will present several topics, starting with the practical aspects of setting up proton-detection measurements with 1.3 mm and 0.7 mm rotors capable of 60 and greater than 100 kHz spinning. From there, I will highlight some of our recent results including detection of bound water, hydrogen bonding interaction, as well as new developments in pulse sequences aimed at global structure determination. I may also briefly mention some DNP results.
Speaker's Biography:
2016-Present: Professor, Group Leader, MPI Göttingen, Germany
2014-2016: Postdoc ENS, Lyon, France
2014: Ph.D. MIT, Boston, USA
Website: https://www.mpinat.mpg.de/andreas
Google scholar: https://scholar.google.com/citations?...
Structure and Dynamics of Viruses by MAS NMR
During the 48th session of the Global NMR Discussion Meetings held on May 17, 2022 via Zoom, Gal Porat-Dahlerbruch from the University of Delaware gave a talk on the topic "Structure and Dynamics of Viruses by MAS NMR". The recording serves as a tutorial.
Abstract:
Magic angle spinning (MAS) NMR has been widely used to characterize the structure and dynamics of viruses at all levels of organization. In this talk, I will cover the basics of MAS NMR spectroscopy with specific emphasis on experiments designed to study viruses, discuss the advantages and complementarity of MAS NMR with respect to other structural biology techniques, and present examples of unique insights gained into HIV-1, Influenza A, Hepatitis B, and other viruses.
Read their recent review here:
Gal Porat-Dahlerbruch, Amir Goldbourt, Tatyana Polenova (2021) Virus Structures and Dynamics by Magic-Angle-Spinning NMR. Annual Review in Virology. 8(1):219-237. DOI: 10.1146/annurev-virology-011921-064653.
Speaker's biography:
2015-2018: BS Chemistry, Tel Aviv University, Israel
2018-2019: Graduate Research Assistant, Tel Aviv University, Israel (Prof. Amir Goldbourt)
2019-Present: Ph.D. Candidate, University of Delaware, USA (Prof. Tatyana Polenova)
Twitter: @MagicAngleGal
Polenova laboratory website: https://sites.udel.edu/polenova-group/
Electrophoretic NMR: an ion speedometer for concentrated electrolytes
During the 47th session of the Global NMR Discussion Meetings held on April 19, 2022 via Zoom, Dr. David Halat from UC Berkeley gave a talk on the topic "Electrophoretic NMR: an ion speedometer for concentrated electrolytes". The recording serves as a tutorial.
Abstract: Pulsed field gradient (PFG) NMR techniques are powerful probes of self-diffusion but remain insensitive to the charged nature of the mobile species. For example, Li-ion battery electrolyte performance is strongly affected by the drift velocity of the working (Li+) cation under an applied potential, and not necessarily to its diffusivity. By synchronizing PFG pulse programs with a simultaneous electric field, electrophoretic NMR (eNMR) can selectively measure cation, anion, and solvent motion and provide a full accounting of ion transport in concentrated electrolytes. I will discuss the experimental and practical underpinnings of eNMR, as well as its complementarity to MD simulations to reveal the migration of specific solvation structures.
Speaker's biography:
2009 — 2013: B.S. Mathematics and Chemistry, Montana State University, USA.
2013 — 2018: Ph.D., University of Cambridge, UK, (with Clare P. Grey)
2018 : Postdoc and FRS Research Associate, University of Cambridge, UK (with Clare P. Grey)
2018 — present: Postdoc, University of California Berkeley, USA (with Jeffrey A. Reimer and Nitash P. Balsara)
Google Scholar: https://scholar.google.com/citations?...
Twitter: @davidhalat
Structure & Thermodynamics of Sorption Equilibria using NMR
During the 46th session of the Global NMR Discussion Meetings held on April 5, 2022 via Zoom, Prof. Vincenzo Venditti from Iowa State University gave a talk on the topic "Solution NMR methods for structural and thermodynamic investigation of sorption equilibria". The recording serves as a tutorial.
Abstract:
Nanoparticles are highly tunable materials that owe some of their unique properties to the ability to efficiently and selectively adsorb their target ligands. In this tutorial we will discuss the use of DEST, relaxation dispersion, and R1 experiments for investigating structure, kinetics, and thermodynamics of sorption with atomic resolution.
Venditti group website: https://group.chem.iastate.edu/Venditti/
Google Scholar: https://scholar.google.com/citations?...
Speaker's biography: Vincenzo Venditti received a Ph.D. from the University of Siena in 2009 for his work with Neri Niccolai and Sam Butcher on the surface accessibility of biopolymers. From 2009 to 2014 he was a Postdoctoral Fellow at the National Institutes of Health in the group of Marius Clore where he specialized in biomolecular NMR techniques for the investigation of protein structure, dynamics and interactions. Vincenzo joined the Department of Chemistry at ISU in January 2015.
Heteronuclear Spin Decoupling in Static & Rotating Samples
During the 45th session of the Global NMR Discussion Meetings held on March 22nd, 2022 via Zoom, Prof. Matthias Ernst from ETH Zürich gave a talk on the topic "Heteronuclear Spin Decoupling in Static and Rotating Samples". The recording serves as a tutorial.
Abstract: I will discuss the fundamentals of heteronuclear decoupling with an emphasis on the differences between static and rotating samples. The talk will highlight the importance of the interaction-frame transformation in both cases and the new aspects that come up in rotating solids. In the end, I will give qualitative recommendations which sequences to use.
Speaker's biography:
1993: Ph.D, ETH Zürich (with Richard Ernst)
1994-1996: Postdoc, UC Berkeley (with Alex Pines)
1996-1998: Scientist, University of Nijmegen
1998-2011: Senior Scientist and Professor, ETH Zürich
Social Media:
Twitter: @maer
Website: https://www.nmr.ethz.ch/~maer/
Google Scholar: https://scholar.google.com/citations?...
Paramagnetic NMR: Motion, Migration, Charge Compensation in a Na+ Battery
During the 44th session of the Global NMR Discussion Meetings held on March 8th, 2022 via Zoom, Euan Bassey from Prof. Clare Grey's research group at the University of Cambridge gave a talk on the topic below. The recording serves as a tutorial.
Topic: Motion, Migration and Charge Compensation in a Na+ Ion Battery Cathode: Tales from the Paramagnetic NMR Storybook
Abstract: Sodium-ion batteries (NIBs) are a more sustainable and significantly cheaper energy storage alternative to lithium-ion batteries (LIBs) and as such are poised to play a vital role in future grid-based energy storage. To date, the capacities and rate capabilities of NIBs—limited by the cathode—are too low for many real-world applications, and the sources of NIB degradation during charge and discharge have not received the attention that LIBs have. If we are to address the energy storage problem and improve the electrochemical performance of NIB cathodes, we must understand the sources of energy losses of this poor rate behaviour in terms of the changes to the chemical structure of the cathode during charge and discharge.
Solid-state NMR (ss-NMR) is ideally suited to studying such structural changes; variable-temperature 23Na ss-NMR is invaluable in assessing the extent of Na+ ion mobility (and hence the charge-discharge rates possible in NIB cathodes), whilst 17O NMR provides a local handle on the charge compensation scheme. Amongst the families of NIB cathode materials, layered NIB cathodes are particularly attractive, owing to their high Na+ mobility and good gravimetric capacities.
In this presentation, we provide an overview of paramagnetic NMR, the effect of motion on NMR spectra and the assignment of highly paramagnetic NMR spectra. We introduce Na0.67[Mg0.28Mn0.72]O2, a high-capacity, high-rate Na+-ion cathode and go on to report the changes in Na+ ion dynamics during its first charge-discharge cycle. Using a combination of variable temperature 23Na NMR and ab initio calculations of the NMR shifts and energy barriers, we assess the mobility of Na+ ions in the structure and hopping routes of these ions. For the first time, we elucidate the superstructure of P2-Na0.67[Mg0.28Mn0.72]O2 through powder synchrotron X-ray diffraction, powder neutron diffraction and pair distribution function analysis. We examine the structural changes in this material using 25Mg and 17O NMR and use these to develop a mechanism for charge compensation.
Speaker's biography: Euan completed his BA(Cantab) and MSci in Natural Sciences at the University of Cambridge. Having fallen in love with magnetic resonance techniques and solid-state chemistry, he is currently pursuing a PhD in Chemistry, supervised by Prof. Clare Grey. Now in his fourth year, he wishes to enthuse and inspire others to use magnetic resonance techniques to understand novel systems.
Twitter: @EuanBassey
Solid-State NMR and DNP of Cellular Carbohydrates
During the 43rd session of the Global NMR Discussion Meetings held on February 22nd, 2022 via Zoom, Prof. Tuo Wang gave a talk on the topic "Cellular Carbohydrates: Limitations and Opportunities from Solid-State Nuclear Magnetic Resonance (NMR) and Dynamic Nuclear Polarization (DNP)". The recording serves as a tutorial.
Abstract: Solid-State NMR has demonstrated its unique capability of characterizing the highly polymorphic structure of carbohydrate polymers in living cells or intact tissues. Here we will present the recent applications to plant, fungi, and microalgal systems and discuss the new opportunities enabled by ultrahigh-field magnets and DNP.
Website: https://www.chemistry.msu.edu/faculty-research/faculty-members/wang-tuo.aspx
Google Scholar: https://scholar.google.com/citations?...
Long-lived states: some unexpected applications
During the 42nd session of the Global NMR Discussion Meetings held on February 8th, 2022 via Zoom, Prof. Geoffrey Bodenhausen gave a talk on the topic "Long-lived states: some unexpected applications". The recording serves as a tutorial.
Abstract: The invention of singlet states, also known as long-lived states (LLS), by Malcolm Levitt was to be followed by many further inventions by scores of creative co-workers in Southampton and Novosibirsk: the quest for molecules immersed in environments capable of supporting singlet states with very long lifetimes, magnetization-to-singlet conversion (M2S), extremely low frequency (ELF) excitation, classification of decay rates according to the eigenvalues of the Liouvillian, effects of exchange on the lifetimes of LLS, etc. Our laboratories at EPFL and ENS have focused on a few applications of long-lived states, such as the study of slow diffusion of macromolecules, long-lived states in substrates of enzymatic reactions, long-lived states in systems with many spins, long-lived population imbalances in systems containing quadrupolar nuclei, elusive long-lived states in water (“para-water”), and long-lived states in drug molecules binding to macromolecular targets.
Speaker's biography:
1996-present: Professor, Department of Chemistry, Ecole Normale Supérieure, Paris
2001-2016: Professor, Ecole Polytechnique Fédérale de Lausanne
1985-2001: Université de Lausanne
1994-1996: National High Magnetic Field Laboratory and Florida State University, Tallahassee
1980-1985: Post-doc at ETH with Richard Ernst
1977 :D. Phil. Oxford with Ray Freeman Corresponding member of the Netherlands Academy of Sciences (KNAW), Fellow of the American Physical Society, Latsis Prize of the Swiss National Science Foundation
Follow Prof. Bodenhausen's work here:
Google scholar: https://scholar.google.fr/citations?u...
From genome to NMR spectrum
During the 41st session of the Global NMR Discussion Meetings on Zoom held on 25th January 2022, Prof. Rachel W. Martin, University of California, Irvine, USA, gave a talk on the topic "From genome to NMR spectrum".
The slides in the talk can be downloaded here: https://drive.google.com/file/d/1OPde...
Abstract: As structural biologists, we spend much of our time preparing samples for biomolecular NMR and collecting and analyzing the data. These experimental efforts are very time- and resource-intensive, suggesting that we should pay closer attention to systematically choosing targets for investigation. The advent of inexpensive nucleic acid sequencing technology has led to the rapid proliferation of genome and transcriptome data. Thus, tens of thousands of unique and potentially valuable enzymes have been “discovered” in principle, but in reality are languishing uncharacterized in databases. Furthermore, in many enzyme discovery studies, researchers choose proteins for investigation based on factors such as expression level in the host organism, which may not reflect suitability for the desired chemical application. In this talk, I will discuss our recent efforts toward developing a workflow for efficient target selection using bioinformatics and in silico methodology. Finally, I will present molecular modeling and experimental results, including NMR spectra, for Droserasin 1, a novel antimicrobial peptide we discovered from the genome of the carnivorous plant Drosera capensis.
Prof. Martin's Biography:
2002: PhD, Yale University, USA (with Prof. Kurt W. Zilm)
2002-2005: Postdoc, University of California, Berkeley (with Prof. Alex Pines)
2005-present: Professor, Department of Chemistry and Biochemistry, University of California, Irvine
Follow Prof. Rachel W. Martin and her work on social media:
Twitter: @rachelwmartin
Website: https://probemonkey.com/
Free online resources (sequence level):
• GenBank (repository of annotated DNA sequences): https://www.ncbi.nlm.nih.gov/genbank/
• BLAST (find similar nucleic acid/protein sequences to a given sequence): https://blast.ncbi.nlm.nih.gov/Blast.cgi
• Expasy translate tool (translate nucleic acid to protein): https://web.expasy.org/translate/
• Clustal Omega (align multiple sequences, can use nucleic acid or protein): https://www.ebi.ac.uk/Tools/msa/clust...
• UniProt (find what has been published for your protein): https://www.uniprot.org/
• SignalP (predict signal sequences / targeting sequences) https://services.healthtech.dtu.dk/se...
• Scampi (predict whether your protein is a membrane protein, if yes, predict topology): https://scampi.cbr.su.se/pred/help/ Free online resources (structure level):
• Rosetta, iTasser, AlphaFold (predict protein structures from amino acid sequence) https://www.rosettacommons.org/software https://zhanggroup.org/I-TASSER/ https://alphafold.ebi.ac.uk/ https://colab.research.google.com/git...
• Modeller (Make homology models if you have the structure of a similar protein) https://salilab.org/modeller/
• Protein Data Bank (find solved structures of biological macromolecules) https://www.rcsb.org/ (North America) https://www.ebi.ac.uk/pdbe/node/1 (Europe)
Overhauser Dynamic Nuclear Polarization in the Liquid State
During the 40th session of the Global NMR Discussion Meetings held on December 7th, 2021 via Zoom, Marcel Levien, Ph.D. student in Prof. Marina Bennati's laboratory at Max Planck, Göttingen, Germany, gave a talk on "Overhauser Dynamic Nuclear Polarization in the liquid state at room temperature at low and high magnetic fields". The recording serves as a tutorial.
Abstract: Dynamic Nuclear Polarization (DNP) is a tool that promises to overcome the long-standing sensitivity issues in modern Nuclear Magnetic Resonance (NMR). While it is already commercially available in the solid-state, in the liquid state at room temperature the development at high magnetic field is still in its infancy. However, recent advances in the understanding of the polarization transfer mechanisms and in the hardware technology demonstrate the viability of DNP in liquids at high magnetic fields. During this talk, the general Overhauser mechanism for the liquid state will be discussed. Particularly, the polarization transfer via scalar interaction, its frequency dependence as well as the role of the polarizing agent will be explained. Finally, an overview about recent applications at low field as well as developments at high magnetic field will be given.
Speaker's biography:
2012 – 2015: BSc. Chemistry, University of Göttingen, Germany
2015 – 2017: MSc. Chemistry, University of Göttingen, Germany
2018 – present: PhD student, Max Planck Institute for Biophysical Chemistry, Göttingen, Germany
What goes on inside the nucleus?
During the 39th session of the Global NMR Discussion Meetings held on November 23rd, 2021 via Zoom, Prof. Ilya Kuprov gave a talk on "What goes on inside the nucleus: origins of nuclear magnetogyric ratio and quadrupole moment". The recording serves as a tutorial.
Prof. Kuprov is a world renowned magnetic resonance spectroscopy and imaging specialist with a particular focus on large-scale computer simulation of magnetic processes in chemical and biological systems; this includes quantum optimal control and machine learning methods.
2005: DPhil, Chemistry, University of Oxford (with Prof. Peter Hore)
2005-2010: Fellow by Examination, Magdalen College, Oxford
2007-2009: Lecturer in Chemistry, University of Durham
2009-2011: EPSRC Early Career Fellow, University of Oxford
2011-present: Associate Professor of Chemical Physics at the University of Southampton
2018-present: Associate Editor, Science Advances.
Website: https://spindynamics.org
Google Scholar: https://scholar.google.com/citations?...
Time-resolved solid-state NMR: Overview, Application in Biophysics
During the 38th session of the Global NMR Discussion Meetings on Zoom, Dr. Blake Wilson, National Institute of Health (NIH) Bethesda, gave a tutorial on "Time-resolved solid-state nuclear magnetic resonance (NMR) spectroscopy: an overview, with applications to biophysical systems".
Bio of Dr. Blake Wilson:
2013: B.S. Physics, Massachusetts Institute of Technology (Prob. Bob Griffin)
2013 - 2019: PhD, University of California, Santa Barbara (Prof. Mark Sherwin and Prof. Songi Han)
2019 - Present: Postdoctoral fellow, NIH Bethesda (Dr. Rob Tycko)
Follow Dr. Wilson and his work:
Twitter: https://twitter.com/blkwiln
Google scholar: https://scholar.google.com/citations?...
Abstract: I will give an overview of time-resolved solid-state NMR techniques, and how they can be used to study structural conversion processes in biophysical systems. A variety of methods, including rapid pH jumps, rapid temperature jumps, and rapid mixing of different species, can be used to initiate biophysical processes, which can subsequently be probed with millisecond time resolution by sudden freezing followed by interrogation with solid-state NMR. I will discuss how dynamic nuclear polarization (DNP) has been shown to dramatically improve the sensitivity of time-resolved NMR techniques, with the aim of capturing structural information from sparsely populated intermediate states.
Dual NMR-EPR Detection in an Ultra Low Temperature DNP Spectrometer
During the 37th session of the Global NMR Discussion Meetings on Zoom, Kan Tagami, University of California, Santa Barbara (UCSB), gave a talk on the instrumentation aspects of a dynamic nuclear polarization spectrometer with dual nuclear magnetic resonance (NMR) and electron paramagnetic resonance (EPR) detection at ultra-low temperatures.
Speaker's biography:
2012 - 2016: B.S., Chemistry, College of William and Mary, USA.
2016 - present: Graduate Student Researcher, Chemistry, University of California - Santa Barbara, USA (Advisor: Prof. Songi Han)
Kan's research interest is in the spin physics and instrumentation of dynamic nuclear polarization (DNP) in solid state NMR. His goal is to improve the efficiency of solid state DNP under MAS through development of both EPR and NMR instruments, as well as use a wide variety of existing magnetic resonance techniques to characterize and exploit the underlying mechanisms of DNP. Currently, his focus is on development of a low temperature (30K), high field (7T) pulsed EPR/DNP spectrometer with magic angle spinning capabilities.
For more information, see the Han Lab website: https://han.chem.ucsb.edu
Characterization of Metal Halide Perovskites using Solid-State NMR
During the 36th session of the Global NMR Discussion Meetings on Zoom, Dr. Dominik Kubicki, University of Warwick, gave a talk on the characterization of metal halide perovskites using solid-state nuclear magnetic resonance (NMR).
Abstract: Determining the structure-property relationships at multiple length scales is one of the key tenets of rational design of new materials. I will use the example of metal halide perovskites to discuss how we can determine the atomic-level structure of solids in an element-specific manner using solid-state NMR. The range of problems includes quantifying dopant incorporation, phase segregation, halide mixing, decomposition pathways, passivation mechanisms, short-range and long-range dynamics. I will focus on the experimental challenges and discuss practical aspects of recording solid-state NMR data on this class of materials.
Bio: Dominik J. Kubicki is an assistant professor in the Department of Physics at the University of Warwick. He graduated from the Warsaw University of Technology and completed his PhD in solid-state NMR with Lyndon Emsley at EPFL (Switzerland) in 2018. He then worked in the group of Michael Grätzel and subsequently held a Marie Curie-Skłodowska Fellowship at the University of Cambridge working with Sam Stranks and Clare Grey. His research focuses on new materials for sustainable optoelectronic technologies.
Website: https://kubickilab.wordpress.com/
Google scholar: https://scholar.google.ch/citations?u...
Twitter: @DominikJKubicki
NMR Studies of DNA Structure and Dynamics
During the 35th session of the Global NMR Discussion Meetings on Zoom, Dr. Bharathwaj Sathyamoorthy, IISER Bhopal, India, gave a talk on the Nuclear Magnetic Resonance (NMR) studies of DNA structure and dynamics.
Abstract: Characterizing conformational preferences of biomolecules is essential to understand their function. NMR spectroscopy has been instrumental in unravelling the conformational polymorphism of DNA and sequence-specific signatures, both of which are critical for their function. This talk shall describe the journey over the past five decades towards our current understanding of DNA structure and dynamics obtained from solution-state NMR spectroscopy.
Dr. Sathyamoorthy's Biography:
2005: B.Sc. (Chemistry), University of Madras, India
2007: M.Sc. (Chemistry), Indian Institute of Technology Madras, India
2013: Ph.D. (Chemistry), State University of New York at Buffalo, USA (Prof. Thomas Szyperski)
2013-2015: Postdoctoral Research Fellow, University of Michigan/Duke University, USA (Prof. Hashim M. Al-Hashimi)
2016 – present: Assistant Professor, IISER Bhopal, India
Follow Dr. Sathyamoorthy and his work on social media:
Twitter: @bwajtweeting
Website: https://bionmr.wordpress.com
Google Scholar: https://scholar.google.com/citations?...
NMR Hardware
In Session 34 of the Global NMR Discussion Meetings, Dr. Mark Conradi gave a talk on NMR hardware.
Abstract: Many NMR spectroscopists are uncomfortable with hardware issues. This discussion will cover debugging techniques, so that malfunctions can be narrowed to particular components of the spectrometer. The testing of probes will be covered, as well as the basics of building special purpose probes. While you may not want to build your own 1.3 mm MAS probe, a probe for high-T, high-P, or in situ examination of batteries may be of interest.
Download Dr. Conradi's slides here: https://docs.google.com/presentation/... S
peaker's biography: Prof. Mark Conradi received his PhD in Physics under R.E. Norberg at Washington University in Saint Louis MO. He did a postdoctoral stint at Oak Ridge where he learned about free radicals and ESR. An assistant/ associate professorship followed at College of William and Mary in Virginia. He was a professor at Washington University for 29 years, moving five years ago to ABQMR, a small NMR contract research firm in New Mexico. Conradi's research themes included motions in molecular solids and metal-hydrogen systems and later the imaging of human lungs with hyperpolarized helium-3. Throughout, he has been interested in NMR hardware issues and techniques, such as NMR in diamond-anvil high-pressure cells and NMR in coin-cell batteries.
Google scholar: https://scholar.google.com/citations?...
Practicalities of SPINACH - a tutorial lecture
In Session 33 of the Global NMR Discussion Meetings, Prof. Ilya Kuprov gave a second talk on performing nuclear magnetic resonance (NMR) simulations using the SPINACH program, with an emphasis on practical aspects.
Watch Part 1 here: https://youtu.be/3fnRgGCKnLU
Download related resources from Prof. Kuprov: https://www.dropbox.com/sh/55kn4enfve...
Website and SPINACH download: https://spindynamics.org
Google Scholar: https://scholar.google.com/citations?...
Prof. Kuprov is a world renowned magnetic resonance spectroscopy and imaging specialist with a particular focus on large-scale computer simulation of magnetic processes in chemical and biological systems; this includes quantum optimal control and machine learning methods.
Bio:
2005: DPhil, Chemistry, University of Oxford (with Prof. Peter Hore)
2005-2010: Fellow by Examination, Magdalen College, Oxford 2
007-2009: Lecturer in Chemistry, University of Durham
2009-2011: EPSRC Early Career Fellow, University of Oxford
2011-present: Associate Professor of Chemical Physics at the University of Southampton
2018-present: Associate Editor, Science Advances.
Large-scale liquid state NMR and MRI Simulations
In Session 32 of the Global NMR Discussion Meetings, Prof. Ilya Kuprov gave a talk on "Large-scale liquid state NMR and MRI Simulations" and the inner workings of the magnetic resonance simulation software SPINACH.
Prof. Kuprov is a world renowned magnetic resonance spectroscopy and imaging specialist with a particular focus on large-scale computer simulation of magnetic processes in chemical and biological systems; this includes quantum optimal control and machine learning methods.
Website and SPINACH download: https://spindynamics.org
Google Scholar: https://scholar.google.com/citations?...
Bio:
2005: DPhil, Chemistry, University of Oxford (with Prof. Peter Hore)
2005-2010: Fellow by Examination, Magdalen College, Oxford
2007-2009: Lecturer in Chemistry, University of Durham
2009-2011: EPSRC Early Career Fellow, University of Oxford
2011-present: Associate Professor of Chemical Physics at the University of Southampton
2018-present: Associate Editor, Science Advances.
The Art of Long-Lived Nuclear Spin Order: Methods and Applications
In session 31 held on 20th July 2021, Dr. Mohamed Sabba gave a talk on "The Art of Long-Lived Nuclear Spin Order: Methods and Applications", via Zoom. The video was recorded live during the presentation and serves as an educative lecture.
Bio:
BSc at University of Greenwich with Prof. Jeremy Everett 2014-2017
PhD at University of Southampton with Prof. Malcolm Levitt 2017-2021
Postdoc with Prof. Malcolm Levitt 2021-
Follow Dr. Sabba:
Twitter: @ma_sabba
Research Gate: https://www.researchgate.net/profile/...
Abstract:
All physical systems are bound by entropy. In particular, nuclear spin order undergoes relaxation through several distinct modes. The cases of the relaxation of longitudinal and transverse order, characterized by the familiar time constants T1 and T2, are textbook examples in the field of liquid-state NMR which are routinely probed and fairly well-studied. For many years it was popularly believed that T1 was the ultimate upper bound on experimentally accessible relaxation times.
However, in coupled spin systems, it is possible to access a range of interesting configurations which had been almost completely overlooked in the formative decades of magnetic resonance. These configurations have often been organized under the loose umbrella term "long-lived nuclear spin order" owing to their exceptional lifetimes. The most prominent of these is nuclear singlet order which our group in 2004 demonstrated could be accessed easily in 2-spin-1/2 systems from ordinary room-temperature magnetization via simple pulse sequences. Since then the field has grown rapidly with insightful contributions from several excellent groups. There have been striking discoveries, such as room-temperature solution-state lifetimes beyond 1 hour in certain spin systems, which is orders of magnitude larger than T1 in the same conditions.
This talk will be an attempt at summarizing the basic theory and practice of generating, preserving, and reading out long-lived spin order in 2-spin-1/2 systems, with a pragmatic focus tailored towards the experimental spectroscopists curious in these techniques, as well as chemists interested in probing the dynamical properties of their molecules through the potentially unique and symmetry-sensitive relaxometry of long-lived order. We hope to portray this subfield of NMR as readily available rather than exotic and inscrutable. We discuss seminal experiments of the field and also present some of our recent experimental results on robust, highly efficient pulse sequences for accessing 2-spin-1/2 long-lived order in a wide range of chemical inequivalence regimes.
Two-dimensional lineshape analysis of biomolecular interactions
In session 30 held on 22nd June 2021, Dr. Chris Waudby gave a talk on Two-dimensional lineshape analysis of biomolecular interactions, via Zoom. The video was recorded live during the presentation and serves as an educative lecture. For more information on TITAN 2D NMR lineshape analysis, see https://www.nmr-titan.com.
Bio: Dr. Chris Waudby
2000-2004: BA MSci, Natural Sciences (Chemistry), University of Cambridge, UK
2004-2009: PhD, Chemistry, Prof. Chris Dobson, University of Cambridge, UK
2010-present: Postdoc, Prof. John Christodoulou, University College London, UK
Follow Dr. Waubdy: Google scholar: https://scholar.google.com/citations?...
Website: https://www.ucl.ac.uk/biosciences/dep...
Twitter: https://twitter.com/chris_waudby
Abstract: NMR titration experiments are a rich source of structural, mechanistic, thermodynamic and kinetic information on biomolecular interactions, which can be extracted through the quantitative analysis of resonance lineshapes in 2D spectra. We will review the basic principles of chemical exchange in one-dimensional NMR, and then discuss a range of surprising and useful effects that can arise when these principles are applied to multi-dimensional experiments. We will touch on the optimal design of titration experiments and selection of pulse programs, and give a tutorial on data analysis using the TITAN software package.
References:
https://www.nature.com/articles/srep2...