Videos
NMR Metabolomics in Drug Discovery and Disease Diagnosis
During the 82nd session of the Global NMR Discussion Meetings held on March 12th, 2024 via Zoom, Prof. Robert Powers from the University of Nebraska-Lincoln, United States, gave a talk on the topic "The Application of NMR Metabolomics to Drug Discovery and Disease Diagnosis". The recording serves as a tutorial.
Abstract: NMR-based metabolomics has benefited a variety of fields including drug discovery and disease diagnosis. Metabolomics is technically very challenging and requires expertise in a diversity of scientific areas. In this regard, this tutorial will discuss best practices for sample preparation and handling, data collection and analysis, and statistical modeling and interpretation to achieve biologically and clinically significant results.
Prof. Robert Powers' research group website and bio: https://chem.unl.edu/robert-powers
Advances in the Computation of NMR Interactions in Materials
During the 81st session of the Global NMR Discussion Meetings held on February 27th, 2024 via Zoom, Dr. Sean T. Holmes from the Florida State University, United States, gave a talk on the topic "Advances in the computation of NMR interactions in materials". The recording serves as a tutorial.
Abstract: This lecture will discuss recent advances in the computation of NMR interactions in materials using density functional theory methods. These include methods for accounting for intermolecular interactions, the role of relativistic effects (especially for heavy atoms), and the choice of density functional approximation. Applications to elements from across the Periodic Table will be presented.
Why Is DOSY So Different From COSY?
During the 80th session of the Global NMR Discussion Meetings held on February 13th, 2024 via Zoom, Prof. Gareth Morris from the University of Manchester, United Kingdom, gave a talk on the topic "Why is DOSY so different from COSY?". The recording serves as a tutorial.
Abstract:
Peaks in COSY, NOESY, ROESY and HSQC 2D spectra either appear where they should, or not at all. In DOSY spectra, it is all too common to see peaks at incorrect positions in the diffusion domain. This tutorial will explore why this happens, what we can do about it, and how to avoid being misled by DOSY spectra.
Prof. Gareth Morris' research group website and bio: https://nmr.chemistry.manchester.ac.uk/?q=node%2F13
Characterization of polymeric materials in bioapplications
During the 79th session of the Global NMR Discussion Meetings held on January 30th, 2024, via Zoom, Prof. Ann-Christin Pöppler from the University of Würzburg, Germany, gave a talk on the topic "Challenges in the characterization of polymeric materials for drug delivery and tissue engineering applications". The recording serves as a tutorial.
Abstract:
NMR spectroscopy is sensitive to subtle changes in local environment and dynamics over multiple length and time scales making it a versatile technique to study polymeric materials and incorporated molecules. Challenges, which will be discussed in this presentation arise from the size (distribution), rigidity and intrinsic disorder of the samples.
Prof. Ann-Christin Pöppler's research group website: https://www.chemie.uni-wuerzburg.de/oc/poeppler-group/
Single Chip Dynamic Nuclear Polarization Microsystems
During the 78th session of the Global NMR Discussion Meetings held on January 16st, 2024 via Zoom, Dr. Nergiz Sahin Solmaz from EPFL in Lausanne, Switzerland, gave a talk on the topic "Single Chip Dynamic Nuclear Polarization Microsystems". The recording serves as a tutorial.
Abstract:
Dynamic nuclear polarization (DNP) is one of the most powerful and versatile hyperpolarization methods to enhance nuclear magnetic resonance (NMR) signals. A major drawback of DNP is the cost and complexity of the required microwave hardware, especially at high magnetic fields and low temperatures. To overcome this drawback and with the focus on the study of nanoliter and subnanoliter samples, I will present single chip DNP microsystems where the microwave excitation and detection are performed locally on chip without the need of external microwave generators and transmission lines.
Dr. Nergiz Sahin Solmaz's website: https://people.epfl.ch/nergiz.sahin?lang=en
NMR Strategies for Examining Interactions with Nanoparticles
During the 77th session of the Global NMR Discussion Meetings held on December 19st, 2023 via Zoom, Prof. Leah B. Casabianca from Clemson University, United States, gave a talk on the topic "NMR Strategies for Examining Interactions Between Small Molecules and Nanoparticle Surfaces". The recording serves as a tutorial.
Abstract:
Interactions between small molecules and the surface of nanoparticles are important in a variety of fields, from drug delivery to the fate of nanoparticles in the environment. In this talk, I will discuss several NMR techniques that can be used to gain structural and dynamic information about these interactions, with a focus on saturation-transfer difference (STD)-NMR.
Prof. Leah Casabianca's research group website: https://chemistry.sites.clemson.edu/c...
High-Dimensional Spectroscopy to Tackle Complexity in Bio-NMR
During the 75th session of the Global NMR Discussion Meetings held on November 21st, 2023 via Zoom, Prof. Jan Stanek from the University of Warsaw in Poland, gave a talk on the topic "High-dimensional spectroscopy and other tools to tackle complexity in biological solid-state NMR". The recording serves as a tutorial.
Abstract:
Fast (sup. 60 kHz) magic-angle spinning provides high sensitivity and narrowed 1H linewidths. However, spectral analysis of large proteins are often severely hampered by peak overlap and/or ambiguity, depending on system size and sample quality. In this tutorial lecture, I will discuss several experimental techniques to address this, namely high-dimensional (4D, 5D) spectroscopy with non-uniform sampling, projection spectroscopy and time-shared acquisition. Additionally, I will explore selected tools for automation of resonance assignment and present early data on protein dynamics measurement as pseudo-4D series.
Website: http://nmr.cent3.uw.edu.pl/stanek
Scaling Analyses of Hyperpolarization Transfer in Solids
During the 74th session of the Global NMR Discussion Meetings held on November 7th, 2023 via Zoom, Prof. Bradley F. Chmelka from the University of California in the U.S., gave a talk on the topic "Scaling Analyses of Hyperpolarization Transfer in Solids and across Interfaces". The recording serves as a tutorial.
Abstract: Classical scaling analyses, with analogies to heat conduction and mass transfer, quantitatively describe the propagation and dissipation of non-Boltzmann spin polarization in heterogeneous solids. The analyses yield general design criteria for predicting, analyzing, and optimizing polarization transfer within solids and across interfaces between dissimilar materials.
Inside an NMR Spectrometer
During the 73rd session of the Global NMR Discussion Meetings held on October 24th, 2023 via Zoom, Prof. Kazuyuki Takeda from Kyoto University in Japan, gave a talk on the topic "Inside an NMR Spectrometer". The recording serves as a tutorial.
Abstract: Let us take a brief look at what is happening inside an NMR spectrometer when we operate it, running pulse sequences and acquiring NMR signals. In particular, I will focus on open-resource, home-built NMR spectrometers we routinely use in our lab, and show how we apply them in the conventional and unconventional NMR experiments.
Website: http://kuchem.kyoto-u.ac.jp/bun/indiv/takezo/index_en.html http://www.kuchem.kyoto-u.ac.jp/organization/member/bk_200710/takezo_e.html
Explorations in NMR Relaxation
During the 72nd session of the Global NMR Discussion Meetings held on October 10th, 2023 via Zoom, Prof. Alexej Jerschow gave a talk on the topic "Explorations in NMR Relaxation by Experiments and MD/Ab Initio Computation". The recording serves as a tutorial.
Prof. Alexej Jerschow is a Professor of Chemistry at New York University, USA.
Website: https://wp.nyu.edu/jerschow/
Google scholar: https://scholar.google.com/citations?...
X (previously Twitter): https://twitter.com/ajerschow
NMR Pulse Sequence Basics and Design Principles
During the 71st session of the Global NMR Discussion Meetings held on September 26th, 2023 via Zoom, Prof. Tairan Yuwen gave a talk on the topic "NMR pulse sequence basics and design principles". The recording serves as a tutorial.
Prof. Tairan Yuwen is an Assistant Professor at Peking University, China
Abstract: NMR is commonly used for studying structure and dynamics of molecules, and many NMR experiments have been developed for different purposes. In each NMR experiment it is necessary to choose the most suitable NMR pulse sequence to obtain optimal results, which requires understanding about the basic theory. During NMR pulse sequence the studied system is evolved under different types of interactions, which can be represented by density matrix or product operator. The basic syntax for NMR pulse sequence programming will be briefly introduced together with several examples, which helps to understand how NMR pulse sequences work and make further optimization.
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.