Videos
Dihedral Angle Measurements by Solid-State NMR
During the 70th session of the Global NMR Discussion Meetings held on August 29th, 2023 via Zoom, Prof. Patrick van der Wel gave a talk on the topic "Dihedral angle measurements by solid-state NMR". The recording serves as a tutorial.
Prof. Patrick van der Wel is an Associate Professor at the University of Groningen, Netherlands.
Abstract: Dihedral angle measurements represent an important complement to distance-based structural data in solid-state NMR studies of (bio)molecular structure. In this tutorial I will discuss the role of angular restraints in ssNMR structure analysis, historical and recent case studies, and the underlying principles of representative approaches.
Website: https://vanderwellab.org/
Google scholar: https://scholar.google.com/citations?...
Twitter: https://twitter.com/p_vanderwel
Magnetic Resonance Spectroscopy Using Spin Defects in Diamond
During the 69th session of the Global NMR Discussion Meetings held on June 13th, 2023 via Zoom, Prof. Dominik Bucher gave a talk on the topic "Nano- and Microscale Magnetic Resonance Spectroscopy Using Spin Defects in Diamond". The recording serves as a tutorial.
Abstract: Nuclear magnetic resonance (NMR), one of the most powerful analytical techniques in chemistry and life sciences, is typically limited to macroscopic volumes due to its inherent low sensitivity. This excludes NMR spectroscopy from the analysis of microscopic sample sizes, such as in single-cell biology or microfluidic applications. In recent years, it has been shown that NMR signals from nano- to microscale volumes can be detected by a new class of sensors - quantum sensors based on defects in the diamond lattice - the nitrogen vacancy (NV) centre. In this talk, I will first introduce NV centres and explain how these atom-sized sensors can be used to detect NMR signals. In the second part, I will provide an overview of this rapidly developing technology and discuss potential applications ranging from surface and materials science to lab-on-a-chip applications.
Prof. Dominik Bucher is a Rudolf-Mößbauer Professor at the Technical University of Munich (TUM), Germany.
Website: https://www.ch.nat.tum.de/en/qsens/home/
Google scholar: https://scholar.google.de/citations?u...
Twitter: https://twitter.com/Bucherlab
Measuring Dynamics Using Anisotropic Interactions in MAS-NMR
During the 68th session of the Global NMR Discussion Meetings held on May 30th, 2023 via Zoom, Dr. Kaustubh Mote gave a talk on the topic "Measuring dynamics using anisotropic interactions in MAS-NMR". The recording serves as a tutorial.
Abstract: Solid-state MAS NMR gives direct access to anisotropic interactions such as CSA, dipole-dipole and quadrupolar couplings. The precise measurement of these interactions, in addition to providing structural features, also gives access to dynamics via their partial averaging due to molecular motion. This tutorial will explore various techniques that are available to extract details of molecular motion via the measurement of these anisotropic interactions, with a particular focus on the measurement of dipole-dipole couplings.
Dr. Kaustubh Mote is a Reader at Tata Institute of Fundamental Research (TIFR) Hyderabad, India.
Website: https://www.tifrh.res.in/~kaustubh/
Google scholar: https://scholar.google.com/citations?...
Twitter: https://twitter.com/kaustubhmote_?lan...
Understanding Pure Shift NMR Spectroscopy
During the 67th session of the Global NMR Discussion Meetings held on May 16th, 2023 via Zoom, Dr. Laura Castañar Acedo gave a talk on the topic "Understanding Pure Shift NMR Spectroscopy". The recording serves as a tutorial.
Abstract: In recent years, a high interest has emerged in the development and application of Pure Shift NMR spectroscopy. Such techniques greatly enhance resolution of NMR spectra by suppressing the effects of homonuclear coupling interactions, turning multiplet signals into singlets, drastically reducing spectral complexity. This tutorial aims to provide a concrete introduction to the theoretical and practical aspects of pure shift NMR, facilitating the development and adoption of the technique to a wider community.
Dr. Laura Castañar Acedo is a Research Fellow at the Department of Organic Chemistry, University Complutense of Madrid.
Triplet Dynamic Nuclear Polarization
During the 66th session of the Global NMR Discussion Meetings held on May 2nd, 2023 via Zoom, Prof. Nobuhiro Yanai gave a talk on the topic "Triplet Dynamic Nuclear Polarization: New Polarizing Agents and Targets". The recording serves as a tutorial.
Abstract:
Triplet dynamic nuclear polarization (triplet-DNP), which utilizes the polarized electron spins of the photo-excited triplet, is an excellent method to obtain large nuclear spin polarization even under mild conditions below 1 T near room temperature. This talk will highlight the potential of triplet-DNP and the exciting new possibilities that have emerged with recent advancements in polarizing agents and targets. Specifically, I will cover the following topics:
- Mechanism of triplet-DNP as an introduction
- Expanding the targets using supramolecular polarizing agents
- Improving air stability and solubility with non-pentacene polarizing agents
- Challenging polarization transfer with the use of nanomaterials.
Nobuhiro Yanai is an Associate Professor, Department of Chemistry and Biochemistry, Kyushu University, Japan.
Website: https://sites.google.com/view/nobuhiroyanai/
Google scholar: https://scholar.google.com/citations?...
Twitter: https://twitter.com/nobuhiroyanai?lang=en
NMR Chemical Shifts Beyond Numbers
During the 65th session of the Global NMR Discussion Meetings held on April 4th, 2023 via Zoom, Prof. Christophe Copéret gave a talk on the topic "NMR Chemical shifts Beyond Numbers: From Understanding Electronic Structures to Reactivity Descriptor". The recording serves as a tutorial.
Abstract: NMR chemical shift is successfully used to identify the structure of molecules (and materials) making NMR an invaluable tool of characterisation. Because of its power to elucidate molecular structure, NMR interpretation is taught at an early stage, often in laboratory courses, even before one understands the fundamentals of spectroscopy and their selection rules. This lecture will concentrate on developing a detailed understanding of the origin of NMR chemical shift, and show how it can be used to reconstruct the electronic structure of molecules, in particular organometallic intermediates. This lecture will illustrate why the symmetry of the angular momentum operator makes NMR a privilege spectroscopic descriptor of reactivity.
Christophe Copéret is a Professor of Chemistry and Head of the Laboratory of Inorganic Chemistry at ETH Zürich, Switzerland.
Website: https://coperetgroup.ethz.ch/
Google scholar: https://scholar.google.com/citations?...
Twitter: https://twitter.com/CoperetGroup
NMR Crystallography: Integrative Foundations and Applications
During the 64th session of the Global NMR Discussion Meetings held on March 21st, 2023 via Zoom, Prof. Leonard Mueller gave a talk on the topic "NMR Crystallography: Integrative Foundations and Applications to Materials Chemistry and Structural Biology". The recording serves as a tutorial.
Abstract: NMR crystallography – the integrated application of solid-state NMR, X-ray diffraction, and first-principles computational chemistry – is rapidly developing as an atomic-resolution probe of structure and function across the molecular sciences. Here, I will discuss critical aspects in the integration of these three techniques, including the need for a priori determination of linear rescaling parameters and rigorous methods of statistical analysis. I will present two recent examples from my group's work that highlight these factors. The first is to photomechanical materials, connecting the molecular-level structural rearrangement to the experimentally-observed macroscopic response. The second is to integrative structural biology, revealing chemically-detailed structure and dynamics in the enzyme active site of tryptophan synthase, and how this has changed our understanding of its mechanism and inhibition.
Prof. Leonard Mueller is a Professor of Chemistry at the University of California Riverside, USA.
Website: https://sites.google.com/ucr.edu/muel...
Google scholar: https://scholar.google.com/citations?...
The Basics of Ultra-Wideline Solid-State NMR Spectroscopy
During the 63rd session of the Global NMR Discussion Meetings held on March 7th, 2023 via Zoom, Prof. Robert W. Schurko gave a talk on the topic "The Basics of Ultra-Wideline Solid-State NMR Spectroscopy". The recording serves as a tutorial.
Abstract:
This tutorial will cover the basic concepts surrounding the acquisition of ultra-wideline solid-state NMR spectra, including the use of WURST pulses for direct excitation and broadband cross polarization, new methods for indirect detection, and applications to a wide range of nuclides from elements across the Periodic Table.
Robert Schurko is a Professor of Chemistry at Florida State University (FSU) and Director of the NMR and MRI User Program at the National High Magnetic Field Laboratory (MagLab) at FSU.
Website: https://www.chem.fsu.edu/~schurko/
Google scholar: https://scholar.google.ca/citations?u...
Twitter: https://twitter.com/schurkofsu
Chemical Exchange Saturation Transfer (CEST) MRI
During the 62nd session of the Global NMR Discussion Meetings held on February 21st, 2023 via Zoom, Prof. Elena Vinogradov gave a talk on the topic "Chemical Exchange Saturation Transfer (CEST) MRI: from basic principles to potential clinical applications". The recording serves as a tutorial.
Abstract:
Novel MRI methods are focusing on imaging events and structures at the molecular level. One of the methods gaining popularity is Chemical Exchange Saturation Transfer (CEST). Here we will discuss basic physical principles of this approach, followed by potential applications and challenges associated with the translation to in-vivo and human imaging.
Prof. Elena Vinogradov is an associate Professor at UT Southwestern Medical Center in Dallas, Texas.
Solid-State NMR for Investigating Crystallization from Solution
During the 61st session of the Global NMR Discussion Meetings held on February 7th, 2023 via Zoom, Dr. Giulia Mollica gave a talk on the topic "Solid-state NMR for investigating crystallization from solution". The recording serves as a tutorial.
Abstract:
Crystallization underpins essential processes in our everyday life, creating exceptional materials. Yet, fundamental understanding of the mechanisms underlying crystallization processes is still lacking because of the scarcity of experimental approaches allowing atomic-level investigation of the sequence of intermediate phases formed during crystallization as a function of time. After introducing the basic principles of crystallization and the associated experimental challenges and current analytical approaches, I will discuss how NMR, coupled with hyperpolarization methods, can contribute to solve long standing questions on crystallization, with particular attention to organic polymorphic compounds. Current limitations and possible future directions will be discussed.
Dr. Giulia Mollica is a Research Director at the CNRS at the Institut de Chimie Radicalaire in Marseille, France.
Website: https://mollicalab.fr/
Google scholar: https://scholar.google.co.uk/citation...
twitter: https://twitter.com/giuliamollica
Microfluidics & Magnetic Resonance: A multidisciplinary challenge
During the 60th session of the Global NMR Discussion Meetings held on January 24th, 2023 via Zoom, Prof. Marcel Utz gave a talk on the topic "Microfluidics & Magnetic Resonance: A multidisciplinary challenge". The recording serves as a tutorial.
Abstract:
Microfluidic technology has rapidly advanced over the last two decades, and is increasingly transforming the practice of life science research, as well as (arguably more slowly) medical diagnostics. In particular, microfluidic assays are ideal platforms for the culture of cells, cell aggregates, and tissue slices, and form the basis of increasingly predictive disease models. Nuclear magnetic resonance, due to its non-invasive nature and ability to provide rich and detailed information on biological systems, is ideally suited to follow life processes in such microfluidic culture devices. However, the integration of high-performance NMR spectroscopy with microfluidic lab-on-a-chip devices is technically challenging due to the small sample volumes involved. Recent advances in hyperpolarization and alternative detection approaches offer important opportunities in this field. In this talk, I will give an overview of the opportunities and challenges in microfluidic NMR, and present some recent examples.
Prof. Marcel Utz is Professor of Magnetic Resonance, Microfluidics, and Complex Materials within Chemistry at the University of Southampton.
Website: https://utzgroup.ddns.net
Google scholar: https://scholar.google.com/citations?...
Surprising Consequences of High Electron Spin Polarization
During the 59th session of the Global NMR Discussion Meetings held on January 10th, 2023 via Zoom, Dr. Quentin Chappuis Stern gave a talk on the topic "The surprising consequences of near unity electron spin polarization". The recording serves as a tutorial.
Abstract:
The inherent low sensitivity of NMR can be overcome by hyperpolarization techniques, which increase the polarization of nuclear spins far beyond the Boltzmann equilibrium. One such method is dynamic nuclear polarization (DNP), which consists of transferring the high polarization of unpaired electron spins to surrounding nuclear spins via microwave irradiation. In the case of dissolution DNP (dDNP), the sample is hyperpolarized in the solid state at low temperature (1-2 K) and moderate magnetic field (3-7 T), where the Boltzmann polarization of electron spins approaches unity, translating into equally high nuclear polarization under DNP. In addition to yielding high nuclear polarization, the high electron polarization has other interesting consequences for NMR. Indeed, as the electron polarization tends towards unity, the electron flip-flop probability vanishes, an effect sometimes referred to as “bath quenching”. By switching on and off microwave irradiation (microwave gating), one switches on and off electron flip-flops and hence paramagnetic relaxation. This has been shown to have a dramatic effect on transverse nuclear relaxation and on nuclear spin diffusion. In this talk, I will review the basic concepts of paramagnetic relaxation and its dependence on electron polarization. I will then present experiments where we used microwave gating to perform efficient CP, to detect EPR properties indirectly via NMR properties, and finally to study nuclear spin diffusion in the vicinity of electron spins.
Speaker's biography:
2014- Undergraduate and Masters, EPFL (Switzerland). Thesis with Prof. Bodenhausen
2022- PhD, CRMN Lyon (France), with Prof. Sami Jannin
Follow Dr. Stern's work here:
Twitter: https://twitter.com/quentinchapp
Google scholar: https://scholar.google.fr/citations?u...
Room Temperature DNP via P1 Centers in Diamond
During the 58th session of the Global NMR Discussion Meetings held on December 14th, 2022 via Zoom, Prof. Chandrasekhar Ramanathan from Dartmouth College, USA , gave a talk on the topic "Room Temperature DNP via substitutional-nitrogen (P1) centers in diamond". The recording serves as a tutorial.
Abstract:
Electron spins in diamond have long coherence and relaxation times at room temperature, making them an exciting platform for EPR and DNP experiments under ambient conditions. In this talk I will describe our recent W-band DNP experiments using the substitutional nitrogen (or P1) defect to hyperpolarize the 13C spins in both single crystal and diamond powders. The DNP spectra measured in these samples show signatures of multiple mechanisms including the solid effect, the cross effect, the truncated cross effect and the Overhauser effect. I will discuss how variations in the microscopic environments of the spins could lead to these observations.
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Twitter: https://twitter.com/sekharspins
Google scholar: https://scholar.google.com/citations?...
Website: https://sites.dartmouth.edu/quantum-s...
EPR-NMR for Protein Modeling
During the 57th session of the Global NMR Discussion Meetings held on November 29th, 2022 via Zoom, Prof. Gunnar Jeschke from ETH Zurich, gave a talk on the topic "Integrating EPR distance distribution restraints with NMR data in protein models". The recording serves as a tutorial.
Abstract:
This zoominar will start with a short explanation of in silico spin labelling, which is useful for planning paramagnetic relaxation enhancement (PRE) NMR experiments as well as DEER EPR experiments for measuring distance distributions. I will continue with a primer on converting DEER data into distance distributions. The zoominar concludes with an example of using distance distributions in modelling a weakly structured low-complexity domain of an RNA-binding protein.
Speaker's biography:
1993-1996 PhD at ETH Zurich, Switzerland, with A. Schweiger
1998-2006 Group Leader, Max Planck Institute for Polymer Science in Mainz, Germany, with H. W. Spiess
2006-2008 Professor at the University of Konstanz, Germany
2008- Professor at ETH Zurich
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Website: https://epr.ethz.ch/
NMR Studies of Gases Adsorbed in Materials and of CO2 Capture
During the 56th session of the Global NMR Discussion Meetings held on November 15th, 2022 via Zoom, Dr. Alexander Forse from University of Cambridge, gave a talk on the topic "A guide to NMR studies of gases adsorbed in materials, with examples on carbon dioxide capture". The recording serves as a tutorial.
Abstract:
In this zoominar I will introduce methods for carrying out NMR spectroscopy experiments on gas adsorption in porous materials. I will introduce the main approaches that are used for these experiments in the literature, and will give examples from our own research on carbon dioxide capture in metal-organic frameworks. Examples will include solid-state NMR studies of carbon dioxide capture in amine-functionalized MOFs, as well as pulsed-field gradient NMR measurements of anisotropic gas diffusion.
Speaker's biography:
2012-2015: PhD in Chemistry, University of Cambridge, UK (Prof. Grey)
2016-2019: Postdoctoral Fellow, UC Berkeley, USA (Prof. Reimer & Prof. Long)
2019-present: Assistant Professor, University of Cambridge, UK
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Twitter: https://twitter.com/alexforse1?lang=en
Google scholar: https://scholar.google.com/citations?...
Website: https://www.ch.cam.ac.uk/group/forse/
Using Deep Learning to Transform and Analyse NMR Data
During the 55th session of the Global NMR Discussion Meetings held on November 1st, 2022 via Zoom, Prof. Flemming Hansen from University College London, gave a talk on the topic "Using Deep Learning to Transform and Analyse NMR Data". The recording serves as a tutorial.
It will be shown how deep neural networks (DNNs) can be trained for reconstruction of sparsely sampled NMR spectra and for virtual homonuclear decoupling. Another area covered in the talk will be autonomous analysis of chemical exchange saturation transfer (CEST) data, where the trained DNN accurately predicts both the chemical shifts and the uncertainties associated with these.
Speaker's biography:
1997-2003: BSc+MSc, Chemistry + Physics, University of Copenhagen
2003-2005: PhD in Biophysical Chemistry (Prof. Jens Led) , University of Copenhagen
2005-2010: Postdoctoral fellow (Prof Lewis E. Kay), University of Toronto
2010-present: PI, University College London. Full Professor since 2017.
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Twitter: https://twitter.com/dflemminghansen?l...
Google scholar: https://scholar.google.com/citations?...
Website: https://www.ucl.ac.uk/hansen-lab/flem...
Emerging frontiers in solution NMR of large protein systems
During the 54th session of the Global NMR Discussion Meetings held on October 18th, 2022 via Zoom, Prof. Haribabu Arthanari from Harvard Medical School, gave a talk on the topic "Emerging frontiers to address large protein systems by solution NMR". The recording serves as a tutorial.
Speaker's biography:
1994-1996: MSc Chemistry - IIT Madras, India
1996-2003: PhD - Wesleyan University, USA
2003-2010: Research Associate - Harvard Medical School, USA
2010-2016: Lecturer - Harvard Medical School, USA
2016-present: Professor - Harvard Medical School, USA
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Google scholar: https://scholar.google.com/citations?...
Website: https://artlab.dana-farber.org/
Q&A: NMR in Structural Biology
During this session of the Global NMR Discussion Meetings held on October 11th, 2022 via Zoom, Prof. Kurt Wüthrich from ETH gave a talk on the topic "NMR in Structural Biology: History Placed in Perspective". Featured here, is the Q&A that followed his talk.
Prof. Kurt Wüthrich is the 2002 Nobel Laureate in Chemistry for development of nuclear magnetic resonance spectroscopy for determining the three-dimensional structure of biological macromolecules in solution.
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Semantic scholar: https://www.semanticscholar.org/autho...
Websites: https://wuthrich-group.ethz.ch/
https://www.scripps.edu/wuthrich/inde...
https://ihuman.shanghaitech.edu.cn/Ku...
Paramagnetic effects in NMR: From PRE to metal ions DNP
During the 52nd session of the Global NMR Discussion Meetings held on October 4th, 2022 via Zoom, Dr. Daniel Jardon Alvarez from Weizmann Institute of Science gave a talk on the topic "Paramagnetic effects in NMR: From PRE to metal ions based DNP ". The recording serves as a tutorial.
Abstract:
DNP enhancements are distance independent as long as the nuclear relaxation is governed by paramagnetic relaxation enhancement (PRE) from the polarizing agents. This enables large and homogeneous enhancements in the bulk of inorganic materials upon doping with paramagnetic metal ions. In this talk I will present the basics of PRE and solid effect DNP and, from there, justify the initial statement.
Speaker's biography:
2006-2012: BSc, MSc - Ludwig-Maximilians University, Germany
2012-2016: PhD - University of São Paulo, Brazil
2016-2019: Postdoc - Ohio State University, USA
2019-2021: Postdoc - Weizmann Institute, Israel
2021-present: Senior Intern - Weizmann Institute, Israel
Follow Dr. Jardon Alvarez's work here:
Google scholar: https://scholar.google.com/citations?...
Twitter: @dani_jardon
Review on DNP from metal ion dopants: https://www.sciencedirect.com/science...
Parahydrogen-based Exchange Chemistry for Next-Generation MR
The Fall 2022 series of meetings began on September 20th with a talk by Dr. Danila Barskiy on the topic "Parahydrogen-based Exchange Chemistry for Next-Generation Magnetic Resonance". The recording serves as a tutorial.
Abstract:
In my talk, I will present our recent work demonstrating that parahydrogen-based spin chemistry can generate hyperpolarized molecules (urea, alcohols, amino acids, ammonium, glucose, etc.) for benchtop (1 tesla) NMR as well as for zero- to ultralow-field (ZULF) NMR. I will describe the basics of exchange-based hyperpolarization and discuss potential applications for chemical analysis.
Speaker's biography:
Dr. Danila A. Barskiy
PhD - Novosibirsk University, 2012 - 2015
Postdoc - Vanderbilt University, 2015 - 2017
Postdoc - University of California Berkeley, 2017 - 2020
Presently, he is a research Group Leader at the Helmholtz Institute, Johannes Gutenberg University Mainz. His group works on chemistry-oriented hyperpolarization technologies for affordable nuclear magnetic resonance (NMR) spectroscopy and imaging (MRI).
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Google scholar: https://scholar.google.com/citations?...
Website: https://budker.uni-mainz.de/?page_id=70
Twitter: https://twitter.com/tovarishbarskiy