Videos
Electron spin-lattice relaxation: the direct and Raman process
During the 94th session of the Global NMR Discussion Meetings held on December 17th, 2024, via Zoom, Prof. Tom Wenckebach from the Paul Scherrer Institute, Switzerland, gave a talk on the topic "Electron spin-lattice relaxation: the direct and Raman process of spin 1/2 systems". The recording serves as a tutorial.
Abstract: Electron spin-lattice relaxation represents the interface between the spin on paramagnetic centres -- transition metal ions, radicals, defects etc. -- and lattice vibrations. This interface is indirect and requires two interactions: the spin-orbit interaction between the spin and the orbits of the paramagnetic centres and the orbit-lattice interaction between the latter and the lattice. The purpose of this talk is to provide an overview of all these elements of the process and to show how the spin-orbit interaction relates the relaxation rates to the deviation of the g-factor from that of a free electron spin.
Find out more about Prof. Tatyana Polenova's research: https://www.researchgate.net/profile/Tom-Wenckebach
Integrative Structural Biology: Challenges and Opportunities for MR
During the 93rd session of the Global NMR Discussion Meetings held on December 3rd, 2024, via Zoom, Prof. Tatyana Polenova from the University of Delaware, USA, gave a talk on the topic "Integrative Structural Biology of Protein Assemblies: Challenges and Opportunities for Magnetic Resonance". The recording serves as a tutorial.
Abstract: I will present recent developments in MAS NMR techniques for atomic-resolution structural analysis of large biological assemblies. Drawing on studies of diverse systems from our lab, including the kinesin motor domain with polymerized microtubules, cofilin bound to filamentous actin, and HIV-1 protein assemblies interacting with small-molecule maturation inhibitors, I will illustrate how with MAS NMR, structural and dynamic details, as well as drug interactions were uncovered, that are inaccessible using other approaches. Additionally, I will discuss the benefits of combining MAS NMR with medium-resolution cryo-EM and MD simulations to enhance structural understanding, and address the current challenges and future directions for magnetic resonance in integrative structural biology.
Find out more about Prof. Tatyana Polenova's research: https://www.udel.edu/faculty-staff/experts/tatyana-polenova/
Understanding DNP : Insights from Average Hamiltonian Theory
During the 90th session of the Global NMR Discussion Meetings held on October 22nd, 2024 via Zoom, Prof. Sheetal Kumar Jain from the Indian Institute of Science, Bengaluru, India, gave a talk on the topic "Understanding Dynamic Nuclear Polarization: Insights from Average Hamiltonian Theory". The recording serves as a tutorial.
Abstract: Average Hamiltonian Theory (AHT) effectively explains the mechanisms, efficiencies, and optimal conditions for solid-state NMR pulse sequences. In Dynamic Nuclear Polarization (DNP), AHT describes how electron-nuclear spin couplings drive polarization transfer under microwave irradiation. By simplifying spin dynamics, AHT offers insights into polarization mechanisms like the solid effect, cross effect, and pulsed DNP, helping predict conditions to maximize nuclear spin polarization and enhance NMR signal sensitivity.
Find out more about Prof. Sheetal Kumar Jain's research: https://sscu.iisc.ac.in/sheetal-kumar-jain/
Low-Field Magnetic Resonance for Detection and Other Applications
During the 89th session of the Global NMR Discussion Meetings held on October 8th, 2024 via Zoom, Dr. Adam Altenhof from the Los Alamos National Laboratory, New Mexico, US, gave a talk on the topic "Low-Field Magnetic Resonance for Detection and Other Applications". The recording serves as a tutorial
Abstract: Low-field NMR can offer better resolution than at high-field. Extremely homogeneous B0 fields and low susceptibility broadening results in signal lifetimes around 1 – 10’s of seconds. Earth’s field NMR and nuclear quadrupole resonance (NQR) both offer low cost, high portability, and applications for detection of illicit materials, including fentanyl.
Find out more about Dr. Adam Altenhof's work: https://orcid.org/0000-0002-8095-6373
Electron Paramagnetic Resonance Advancing MAS-DNP
During the 88th session of the Global NMR Discussion Meetings held on October 1st, 2024 via Zoom, Dr. Frédéric Mentink-Vigier from the National High Magnetic Field Laboratory, Florida, US gave a talk on the topic "Electron Paramagnetic Resonance Advancing Magic Angle Spinning Dynamic Nuclear polarization". The recording serves as a tutorial.
Abstract: Electron Paramagnetic Resonance (EPR) is crucial for analyzing paramagnetic species used in Dynamic Nuclear Polarization (DNP). This overview covers EPR fundamentals and its application to studying biradicals, which are key for high-field Magic Angle Spinning (MAS) DNP.
Find out more about Dr. Frédéric Mentink-Vigier's work: https://nationalmaglab.org/staff/?name=FredericMentink-vigier
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.
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
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
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...
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
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