Videos
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.
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...
Numerical Simulations in Solid-State NMR (SIMPSON)
The 12th session of the Global NMR Discussion Meeting was held on 7th August 2020 via Zoom. Prof. Thomas Vosegaard gave a talk on Numerical Simulations in Solid-State NMR Spectroscopy with a particular emphasis on SIMPSON. The video was recorded live during the presentation and serves as an educative lecture.
Prof. Thomas Vosegaard is a Professor of Chemistry at the Aarhus University in Denmark.
Follow Prof. Thomas Vosegaard on Twitter: @TVosegaard
Website: https://pure.au.dk/portal/en/persons/...
Google scholar: https://scholar.google.co.uk/citation...
Useful links: SIMPSON website: https://inano.au.dk/about/research-ce...
Chapter with examples of SIMPSON: https://www.sciencedirect.com/science...
Online examples from the chapter: https://easynmr.pastis.dk/arns/
Link: https://youtu.be/47p-LRDhVuE
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/...
Relaxation-Assisted Spectral Editing in Biological Solid-State NMR
The 10th session of the Global NMR Discussion Meeting was held on 10th July 2020 via Zoom. Dr. Ieva Goldberga gave a talk on the following topic: Relaxation-Assisted Spectral Editing in Solid-State Nuclear Magnetic Resonance (NMR) Spectroscopy of Biological Materials. The video was recorded live during the presentation and serves as an educative lecture.
Dr. Ieva Goldberga is currently a postdoc at the University of Montpellier (France), working in the research group of Dr. Danielle Laurencin. She received her Ph.D. in 2020 from Prof. Melinda Duer's group at the University of Cambridge, U.K.
Follow Dr. Ieva Goldberga on Twitter: @ieva_goldberga
Google Scholar: https://scholar.google.com/citations?...
Line Shape Analysis and Tensor Interplay
The 9th session of the Global NMR Discussion Meeting was held on 3rd July 2020 via Zoom. Prof. David Bryce gave a talk on the following topic: Solid-State Nuclear Magnetic Resonance (SSNMR) Spectra Line Shape Analysis and Tensor Interplay. The video was recorded live during the presentation and serves as an educative lecture. Prof. David Bryce is the University of Ottawa Research Chair in Nuclear Magnetic Resonance and the Chair of the Department of Chemistry and Biomolecular Sciences. He is also the Editor-in-Chief of the journal Solid State Nuclear Magnetic Resonance.
Follow Prof. David Bryce on Twitter: @BryceNation
Website: https://mysite.science.uottawa.ca/dbr...
Google Scholar: https://scholar.google.ca/citations?u...
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...