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Homemade tabletop MR microscopy
Ryo Yashiro – @yashiro_ld
This presentation will describe the development of a home-made MR microscope. This MR microscope is currently under development and you can check the development and assembly process in the following tag(#HomeMadeMRI). Stay tuned!
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Imaging local diffusion in microstructures using NV-based pulsed field gradient NMR
Robin D. Allert – @robinallert
Understanding diffusion in microstructures is crucial in many scientific fields. Here, we introduce nitrogen-vacancy (NV) center-based nuclear magnetic resonance (NMR) spectroscopy as a powerful tool to probe diffusion. We combined pulsed gradient spin echo (PGSE) with NV-NMR spectroscopy, allowing local quantification of the anisotropic molecular diffusion and flow within microstructures.
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Comparative and Comprehensive Study of Two Enantiomer Ofloxacin and Levofloxacin by NMR Crystallography
Manasi Ghosh – @ManasiGhosh20
The atomic-level structure and dynamics of two enantiomers, ofloxacin and levofloxacin, were studied through various solid-state NMR techniques. The investigation involved measuring the principal components of the chemical shift anisotropy (CSA) tensor, spatial proximity of 1H and 13C nuclei, and site-specific 13C spin-lattice relaxation time. Additionally, the correlation between biological activity and nuclear spin dynamics was established through these investigations. NMR crystallography approaches played a crucial role in the in-depth chemical analysis of antibiotics, which is essential for advanced drug design.
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Probing Spin-Photon Systems with Double Split-Ring Surface Resonator at 4.2 T and 115 GHz
Michael Coumans – @Mike_coumans13
Biochemical structures and 2-dimensional materials are not easily studied using Electron Paramagnetic Resonance at high magnetic fields using conventional resonators. Surface resonators, like our Double Split-Ring Resonator for 115 GHz, improve the microwave coupling by up to 80X, providing scientists the capability to study these materials with ~ns temporal resolution!
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First 125Te MAS NMR of tellurium halide perovskites
Dominik J. Kubicki – @DominikJKubicki
We developed 125Te MAS NMR of A2TeX6 compounds, where A = Cs, MA, and X = I, Br, Cl. In addition to exploring the chemical shift range, we observed a range of fascinating spin physics phenomena and determined how to use them to study dynamic processes.
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Investigating rare earth doping in a halide perovskite using solid-state NMR
Thiago Rubio – @thi_53
Ytterbium-doped halide perovskites are known to display the quantum cutting effect: one high-energy photon is converted into two low-energy photons. Dry mechanosynthesis, a simple, yet powerful method, was used to make the chloride perovskites, and NMR spectroscopy was used to analyze the effects of the doping in the perovskite structure.
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Using Machine Learning to Aid in NMR Crystallographic Refienements of Siliceous Zeolites
Maxwell Venetos – @MaxwellVenetos
By combining Si-29 2D J spectra with equivariant graph neural networks, we have developed a rapid structure refinement strategy for crystalline solids. We demonstrate the use of this strategy with the refinement of siliceous zeolite ZSM-12.
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Investigating the Surface Adsorption Dynamics of Lithium Ions at the Anode-Electrolyte Interface using Nuclear Magnetic Resonance Spectroscopy
Shakked Schwartz – @ShakkedSchwartz
Efficient cationic transport at the anode-electrolyte interface is crucial for Li-ion battery performance. Directly observing this interface and surface-adsorbed Li-ions is a great challenge, which we address by implementing Lithium – Dark-State Exchange Saturation Transfer, enabling the elucidation of the surface adsorption process and its correlation with the corresponding surface chemistry.
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Operando magnetic resonance spectroscopy in sodium ion batteries
Isuru Eranda Gunathilaka Adikari Mudiyanselage – @IsuruGunathila5
Sodium-ion batteries are emerging as a viable alternative to lithium battery technology. Our current project uses operando NMR techniques to study internal chemical changes of certain sodium battery systems, investigating the effect of a small amount of water in an ionic liquid electrolyte on the growth of microstructural sodium metal.
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Understanding the Stages of Lithium Ion Intercalation in Graphite Electrode in Lithium-Ion Batteries (LIBs) using NMR Spectroscopy
Maria George – @Maria_Shebin
7Li MAS-NMR is used to characterise the stages of lithiation in graphite electrode in LIBs. Results are paired with XRD spectra of each stage to understand the stoichiometry of lithiation. Deeper understanding of the lithiation mechanism combined with lithium ion diffusion studies will be used to improve electrode performance.
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Solid-state NMR Application in Lithium Polymer Batteries
Vestince Balidi Mbayachi – @vestince
NMR is an exceptional and a practical advanced diagnostic technique for studying energy storage materials. Its accuracy and high resolution make NMR essential for investigating the phase structure and ion mobility of batteries. My presentation focuses on ex-situ characterization of polymer electrolyte in lithium batteries using solid-state NMR.
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NMR experiments to study inhibition of enzymes that confer bacterial resistance
Yara Lins Rocha – @YaraLRocha
Enzymes belonging to the Carbapenem-Hydrolyzing Class D β-lactamases (CHDL’s) confer bacterial resistance to β-lactam antibiotics and are often associated with outbreaks involving the pathogenic bacteria Acinetobacter baumannii. We report the inhibition of CHDL OXA-143 by the reaction product with meropenem, a carbapenem antibiotic, in addition to describing its effect on protein structure and dynamics. Kinetic 1H-NMR experiments were performed to assess how hMER interferes with the catalytic efficiency of the enzyme against ampicillin and meropenem itself, indicating a clear inhibition. Chemical shift perturbation (CSP) was performed using 15N-HSQC and 15N-TROSY titration experiments. The results indicate that hMER acts as a competitive inhibitor blocking the active site and decreasing the dynamics of essential motifs around the binding site.
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