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Mechanism of methane functionalization over copper-containing zeolites
Mikalai Artsiusheuski – @martsiush
Employing in situ solid-state NMR spectroscopy and label tracing, we elucidated the pathways of methane transformations over copper-containing zeolites. Reaction of methane with copper(II)-oxo sites leads to partial oxidation products, namely methanol, methoxy species and dimethyl ether. These products can undergo coupling over acid sites leading to C2+ hydrocarbons.
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Neurotopographical Transformations: Dissecting Cortical Reconfigurations in Auditory Deprivation
Kalpana Dhanik – @kalpanadhanik
This groundbreaking study reveals that people who are born deaf having unique brain strengths. Using advanced MRI to study cortical morphology, we found remarkable neuroplasticity. These findings highlights the brain incredible ability to adjust and open doors for better education and therapy for the deaf community.
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Next-Generation Radical Designs for Direct Polarization Transfer in High-Field DNP
Ribal Jabbour – @JabbourRibal
Traditional DNP transfer employs an indirect, spin-diffusion mediated process, transferring polarization from nuclei on the PA to solvent nuclei, and then to the target molecule nuclei. In contrast, direct transfer involves immediate polarization from the PA to the target molecule, bypassing any intermediary nuclei. We show the distinctions between indirect and direct transfer methods using AMUPol, a widely-used bis-nitroxide, at magnetic fields ranging from 9 T to 14 T. We demonstrate that with ASYMPol-POK (larger e-e couplings), superior direct transfer performance in deuterated DNP solvent is shown compared to AMUPol.
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NMR Metabolomics for Assessing the Probiotics Efficacy in the Treatment of Renal Insufficiency
Sofia Mariasina, Ulyana Bulgakova, Olga Gavrilova, Anna Kuzmina – @SMariasina with @uliana_buv, @GavrilovaO25732 and @AnnaKuz38797
Kidney disorders dramatically change the blood composition. We use NMR-metabolomics to assess the effectiveness of probiotics supplementation in the treatment of renal insufficiency in human. For that purpose metabolic profiling of the blood of patients with chronic kidney disease was carried out before and after probiotic supplementation.
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NMR spectroscopy – based metabolomics in variants of Non Alcoholic – Steatohepatitis (NASH) and Cryptogenic Cirrhotic patients
Shreya Pandey – @shreyapandey171
The global prevalence of NASH is 1.5-6.5%. In India, NAFLD affects 9-32%, with unclear NASH prevalence. NAFLD is marked by excess liver triglycerides (TG), while NASH includes steatosis, hepatocyte damage, inflammation, and fibrosis, leading to severe liver issues. Current NASH diagnosis relies on biopsies, but metabolomic and lipidomic profiling offers non-invasive diagnostic potential. This study aims to identify specific metabolites to improve non-invasive diagnosis and treatment.
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NMR-Based Structural Insight into DNA G-Quadruplex
Julia Pakuła – @x_yuliya_x
Emerging as a promising area in anticancer research, noncanonical DNA structures such as G-quadruplexes are studied using NMR spectroscopy. NOESY spectra reveals crucial interactions between ligands and G-quadruplexes, helping to understand non-covalent binding mechanisms. This knowledge is essential for rational drug design targeting these structures.
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NORD-NOESY modified NMR of Deep Eutectic Solvents
Kelsey Marr – @kelsey_marr
Deep eutectic solvents (DES) are low-cost, no-waste mixtures made of hydrogen bond acceptors (HBA) and hydrogen bond donors (HBD). One of the most common DES is ethaline, 1:2 choline chloride to ethylene glycol. The aim of this work is to fully elucidate the hydrogen bond network structure by 2D NMR, specifically through Nuclear Overhauser spectroscopy (NOESY). Previous attempts for ethaline have been hindered by multiple effects, one of the most prominent being radiation dampening. We have successfully utilized a NO Radiation Dampening (NORD) pulse sequence modification to the NOESY sequence and obtained build up curves of NOE and of chemical exchange.
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Optimal Control Pulse (OPTIANS) for Optimal Polarization Transfer with Anisotropic Nuclear Spin Interactions
Shovik Ray – @ray_shovik
Cross-polarization (CP) is an indispensable part of solid-state nuclear magnetic resonance (NMR) spectroscopy to enhance sensitivity and extract structural information. However, the most common CP experiments are susceptible to anisotropic interactions (CSA and QC). A new OC pulse, OPTIANS will be presented which shows 50% better 19F-7Li/23Na PT efficiency compared to ramped CP, both in simulations and experimentally.
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Optimal control pulses for the 1.2-GHz (28.2-T) NMR spectrometers
David Joseph – @DaJo_1729
In this work we overcome the high-power demands by designing optimal control (OC) pulses with up to 20 times lower power requirements than currently necessary at a 1.2-GHz spectrometer. We show that multidimensional biomolecular NMR experiments constructed using these OC pulses can bestow improvement in the S/N ratio of up to 26%. With the expected power limitations of a 5-mm cryoprobe, we observe an enhancement in the S/N ratio of more than 240% using our OC sequences. This motivates the development of a cryoprobe with a larger volume than the current 3-mm cryoprobes at 1.2 GHz spectrometer.
One response to “Optimal control pulses for the 1.2-GHz (28.2-T) NMR spectrometers”
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Dear David, Thank you for your presentation!
Could these pulses be adapted for other systems, such as solid-state NMR where the RF requirements are much higher or low-field systems?
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Probing Dynamics of an Intact Virus Using Pseudo 3D REDOR-based MAS Experiments
Orr Lusky – @ItIsLusk
We present a robust method using ssNMR to characterise the protein dynamics in an intact virus using pseudo 3D experiments. We show an automated protocol to quantify site-specific order parameters in the backbone, and demonstrate it on the fd-Y21M bacteriophage.
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Probing Molecular Interactions between Formate and Supported Ionic Liquid Phases by Solid-State NMR Spectroscopy
Yufei Wu – @YufeiWu811
Generation of formate on the surface of supported ionic liquid phases (SILPs) is related to the catalytic selectivity of hydrogenation reactions. We use solid-state NMR to study molecular interactions between formate and different SILPs. The findings indicate electrostatic interactions which explain the improved immobilization of formate on the surface.
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Probing the Molecular and Macroscopic Structure of Solid Solutions by Dynamic Nuclear Polarization (DNP) Enhanced 13C and 15N Solid-State NMR
Jiashan Mi – @JiashanMi
Crystallization is crucial for purifying pharmaceutical ingredients, but similar molecular structures can complicate separation. This study used dynamic nuclear polarization and 15N isotope enrichment to investigate solid solutions of salicylic acid and anthranilic acid. Solid-state NMR and DFT calculations showed homogeneous alloying, aiding purification strategy development and understanding of APIs.
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