Videos
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/
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
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...
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
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
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
Follow Dr. Forse's work here:
Twitter: https://twitter.com/alexforse1?lang=en
Google scholar: https://scholar.google.com/citations?...
Website: https://www.ch.cam.ac.uk/group/forse/
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/
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?...
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
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.
Proton detection solid-state NMR of exotic & unreceptive nuclei
In session 27 held on 11th May 2021, Dr. Amrit Venkatesh gave a talk on "Proton detection solid-state nuclear magnetic resonance (NMR) of exotic & unreceptive nuclei", via Zoom. The video was recorded live during the presentation and serves as an educative lecture.
Bio: Dr. Amrit Venkatesh received his MSc in Chemistry from the Sri Sathya Sai Institute of Higher Learning, India in 2013. Amrit worked as a research fellow at the M.S. University of Baroda for two years where he gained experience in coordination chemistry and provided solution NMR support. Following a brief internship at the NMR center at IISc Bangalore with Dr. Raghothama, Amrit moved to Iowa State University, USA where he completed his PhD under the guidance of Dr. Aaron Rossini in 2020. Amrit is currently a Marie-Curie postdoctoral fellow in Prof. Lyndon Emsley’s group at EPFL, Switzerland.
Follow Amrit: Twitter: https://twitter.com/amrit_venkatesh
Google Scholar: https://scholar.google.com/citations?...
Abstract: NMR is a powerful atomic-level characterization technique but it suffers from an intrinsically poor sensitivity. Fast magic angle spinning and 1H detection in solids improve NMR sensitivity, but these are mainly applied to common spin-1/2 isotopes such as 13C, 15N, 29Si and 31P. Whereas, over 75% of the periodic table consists of unreceptive nuclei that are under-studied using NMR due to the lack of sensitive approaches. In this contribution 1H detection methods for low-gyromagnetic ratio nuclei, half-integer quadrupolar nuclei and high-Z spin-1/2 nuclei with high chemical shift anisotropy will be discussed. Practical considerations and some recent advances will be highlighted.
For detailed information, please refer to these articles:
Low-gyromagnetic ratio nuclei:
https://pubs.acs.org/doi/abs/10.1021/...
https://www.sciencedirect.com/science...
Half-integer quadrupolar nuclei:
https://www.sciencedirect.com/science...
https://pubs.rsc.org/hy/content/artic...
Spin-1/2 nuclei with high chemical shift anisotropy:
https://www.sciencedirect.com/science...
Optimal control and its application in solid-state NMR
In session 26 held on 27th April 2021, Dr. Jan Blahut gave a talk on "Optimal control and its application in solid-state Nuclear Magnetic Resonance (NMR) spectroscopy", via Zoom. The video was recorded live during the presentation and serves as an educative lecture.
Optimal-NMR webpage: https://optimal-nmr.net
Bio:
Dr. Jan Blahut
2008-2013 M.S. in Organic Chemistry, Charles University in Prague
2013-2018 Ph.D. in Inorganic Chemistry, group of prof. P. Hermann, Charles University in Prague
2018-2020 Postdoctoral position in the group of prof. G. Pintacuda, High-filed NMR centre Lyon
2020-present: Postdoctoral position in the group of Dr. Zdenek Tosner, Charles University in Prague
Publons profile: https://publons.com/researcher/216308...
Abstract: Optimal control has its origins in economy and engineering as a mathematical tool to maximize profit or minimize disposed energy. Magnetic resonance is well suited for optimal-control application to design new pulse sequences with improved properties. We will focus on application in solid-state NMR, where the combination of sample spinning, powder averaging, dense network of involved interactions and RF field inhomogeneity render analytical approaches based on Average Hamiltonian Theory unfeasible. Despite the complexity of the problem, the practical application of optimal control based techniques is straightforward. It this tutorial we will also demonstrate how they can be implemented to your work-flow in a simple copy-paste manner, replacing traditional recoupling techniques.
Statistical Learning of NMR tensors
Session 22 held virtually via zoom on 16th February 2021 featured Dr. Deepansh Srivastava, postdoc in Prof. Philip Grandinetti's research group at Ohio State University, U.S.A. Dr. Srivastava gave a talk on "Statistical Learning of Nuclear Magnetic Resonance (NMR) tensors from 2D Isotropic/Anisotropic Correlation NMR Spectra". The video was recorded live during the presentation and serves as an educative lecture.
Follow Dr. Srivastava:
Website: https://deepanshs.github.io/home/
Google scholar: https://scholar.google.com/citations?...
Short abstract: The talk features a direct inversion of 2D isotropic/anisotropic correlation ss-NMR spectra to 3D NMR tensor parameter distribution. The problem, regularized with TSVD and smooth-LASSO methods, promote stability, sparsity, and smoothness in the solution. An application of this method on spectra of non-crystalline material will be shown.
Abstract: Many linear inversion problems involving Fredholm integrals of the first kind are frequently encountered in the field of magnetic resonance. One important application is the direct inversion of a solid-state NMR spectrum containing multiple overlapping anisotropic sub-spectra to obtain a distribution of the tensor parameters. Because of the ill-conditioned nature of this inverse problem, we investigate the use of the truncated singular value decomposition (TSVD) and smooth least absolute shrinkage and selection operator (S-LASSO) based regularization method, which (a) stabilizes the solution and (b) promotes sparsity and smoothness in the solution. We also propose an unambiguous representation for the anisotropy parameters using a piecewise polar coordinate system to minimize rank deficiency in the inversion kernel. To obtain the optimum tensor parameter distribution, we implement the k-fold cross-validation, a statistical learning method, to determine the hyperparameters of the regularized inverse problem. In this talk, I'll show the details of the linear-inversion method along with numerous illustrative applications on purely anisotropic NMR spectra, both synthetic as well as experimental two-dimensional spectra correlating the isotropic and anisotropic frequencies.
Theoretical Understanding of MAS Dynamic Nuclear Polarization
The 14th session of the Global NMR Discussion Meeting was held on 15th September 2020 via Zoom. Dr. Asif Equbal gave a talk on the theoretical Understanding of magic angle spinning (MAS) Dynamic Nuclear Polarization (DNP). The video was recorded live during the presentation and serves as an educative lecture.
Dr. Asif Equbal is currently a postdoctoral scientist in the research group of Prof. Songi Han at the University of California Santa Barbara (UCSB), U.S.A.
Follow Dr. Equbal on Twitter: @asifequbal313
Website: https://han.chem.ucsb.edu/people/asif...
Programming Basics and How to Write NMR Simulation Software
The 13th session of the Global NMR Discussion Meeting was held on 21st August 2020 via Zoom. Dr. Frédéric Perras gave a talk on some programming basics and writing NMR simulation software with static and magic angle spinning (MAS) chemical shift anisotropy (CSA) lineshapes as examples. The video was recorded live during the presentation and serves as an educative lecture.
The programs described in the video can be found and run online:
https://repl.it/@fperras/staticCSA
https://repl.it/@fperras/MASCSA
Dr. Frédéric Perras is an Associate Scientist at Ames Laboratory, Iowa, U.S.A.
Follow Dr. Perras on Twitter: @Fred_A_Perras
Website: https://www.ameslab.gov/directory/fre...
Google Scholar: https://scholar.google.ca/citations?u...
Methodology for 17O Solid-State NMR Spectroscopy
The 11th session of the Global NMR Discussion Meeting was held on 24th July 2020 via Zoom. Suzi Pugh gave a talk on the following topic: Methodology for 17O Solid-State NMR Spectroscopy. The video was recorded live during the presentation and serves as an educative lecture. Suzi Pugh is currently a graduate student at the University of St. Andrews (U.K.), working in the research group of Prof. Sharon Ashbrook. She received her B.Sc. from Keele University in 2015.
Follow Suzi Pugh on Twitter: @suzimay_pugh
Research Gate: https://www.researchgate.net/profile/...
NMR Observation of Quadrupolar Nuclei & their Neighbors in Solids
The 8th session of the Global NMR Discussion Meeting was held on 26th June 2020 via Zoom. Dr. Olivier Lafon gave a talk on the following topic: Nuclear Magnetic Resonance (NMR) Observation of Quadrupolar Nuclei and their Neighbors in Solids. The video was recorded live during the presentation and serves as an educative lecture. Dr. Olivier Lafon is a University Professor at the Ecole Nationale Supérieure de Chimie de Lille, France. He primarily works on the development and application of solid-state NMR spectroscopy to inorganic and hybrid materials at the Unité de Catalyse et Chimie du Solide (UCCS).
Follow Prof. Olivier Lafon on Twitter: @LafonOlivier
Website: http://uccs.univ-lille1.fr/index.php/...
Google Scholar: https://scholar.google.fr/citations?u...
Link: https://youtu.be/kweEn2db6Zg
Practical Aspects of Fast MAS Solid-State NMR
In the fifth session of the Global NMR Discussion Meeting held on 5th June 2020 via Zoom, Dr. Yusuke Nishiyama from RIKEN and JEOL (Japan) gave a talk on the following topic: Practical Aspects of Fast Magic Angle Spinning (MAS) Solid-State Nuclear Magnetic Resonance (NMR). The video was recorded live during the presentation and serves as an educative lecture. Please see 55:55 in the video for some additional resources. Dr. Yusuke Nishiyama is currently a Unit Leader in RIKEN, Japan, and a Researcher in JEOL, Japan.
Website: https://www.riken.jp/en/research/labs...
Google Scholar: https://scholar.google.co.jp/citation...
DNP in Materials Science: Touching the Surface
In the fourth session of the Global NMR Discussion Meeting held on 29th May 2020 via Zoom, Dr. Pierrick Berruyer from EPFL, Lausanne (Switzerland) gave a talk on the following topic: Dynamic Nuclear Polarization Solid-State Nuclear Magnetic Resonance (NMR) Spectroscopy in Materials Science: Touching the Surface. The video was recorded live during the presentation and serves as an educative lecture for those wanting to learn about the use of Magic Angle Spinning Dynamic Nuclear Polarization for studying the surfaces of materials.
Dr. Pierrick Berruyer is currently a postdoc in Prof. Lyndon Emsley's laboratory at the Swiss Federal Institute of Technology (EPFL), Lausanne.
Follow Dr. Pierrick Berruyer on Twitter: @pierrickberruye