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The power of 19F-NMR: peptide-membrane binding is not that basic!
Tran Thanh Tam Pham – @tammyphamily
My research focuses on a hormone, Apelin, important in forming new blood vessels and progressing chronic illnesses. It is not uncommon for peptides like Apelin to bind membrane before receptor-binding. Using 19F-Nuclear Magnetic Resonance, I characterize this binding suggesting a mechanism for Apelin that highlights membrane role in therapeutic delivery.
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Towards Pulsed DNP at 100 Tesla
Alexander Barnes – @MagnetXander
I have a dream. I dream of hundreds and thousands of 100 Tesla Pulsed Dynamic Nuclear Polarization NMR spectrometers sitting on bench-tops and equipped with magic angle spinning spheres spinning a million times a second. To make this dream a reality, talented, ambitious, and dedicated scientists at the ETH Zurich are developing new magnets, microwave technology, and MAS instrumentation. Let me tell you about it.
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Dynamic nuclear polarization by two-pulse phase modulation
Venkata SubbaRao Redrouthu – @rvsubbarao
The coherent transfer of electron spin polarization to nuclei by means of a microwave pulse sequence is a promising new approach to enhancing the sensitivity of solid-state nuclear magnetic resonance (NMR). The development of pulse sequences for dynamic nuclear polarization (DNP) of bulk nuclei is far from complete, as is the understanding of what makes a good DNP sequence. In this context, we introduce a new sequence, termed Two-Pulse Phase Modulation (TPPM) DNP. We provide a general theoretical description for electron–proton polarization transfer by periodic DNP pulse sequences and find it in excellent agreement with numerical simulations.
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NMR spectroscopy -Introduction
Zamir Shekh – @ProfZamirShekh
Nuclear magnetic resonance, or NMR, is a physical phenomenon that occurs when atomic nuclei are exposed to a specific frequency of electromagnetic radiation and a magnetic energy level resonance transition. One can obtain the NMR spectrum by identifying the absorption signals. It helps to investigate the architectures of molecules quantitatively based on the locations, intensities, and fine structure of resonance peaks. The size of the molecules of interest ranges from small chemical molecules to middle-sized biological molecules and even certain macromolecules like proteins and nucleic acids.
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17O nuclear spin relaxation and its dependence on concentrated electrolyte system
Chengtong Zhang – @zhang_chengtong
The effects of different ion compositions and concentrations on the 17O relaxation time were investigated and some principles of ion-water interactions were deduced. Notably, we find that the water diffusion and solution viscosity correlate with 17O relaxation rate of water when different electrolytes were dissolved in D2O.
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High-pressure, high-temperature MAS NMR for catalysis science
Nicholas Jaegers – @njaegers
Accurate descriptions of chemical interactions proceeding on catalytic surfaces necessitate characterization under conditions relevant to catalysis to avoid challenges imposed by environment-dependent catalyst properties. As a non-destructive tool, NMR is well-suited to study chemical interactions in catalysis; we describe methods of MAS NMR for systems at high pressure and temperature.
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The Search for a Universal qNMR Standard
Jared Scott Wood – @jaredscottwood
Quantitative NMR (qNMR) is a robust technique used in a variety of chemical applications due to its numerous analytical advantages. We report a selectively-tunable standard for 1H/19F quantitation and its vast potential in qNMR analyses.
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Electrophoretic NMR Reveals Migrating Solvation Structures in Li-ion Battery Electrolytes
David Halat – @davidhalat
We report 1H, 19F, and 7Li electrophoretic NMR (eNMR) measurements, which directly quantify ion and solvent motion under an electric field, to reveal solvent motion driven by cation–solvent coordination in Li-ion battery electrolytes. We further corroborate molecular dynamics solvation motifs by rationalizing concentration-dependent 1H NMR shifts through DFT calculations.
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Partitioning of small molecules in biomolecular condensates
Julie Maibøll Buhl – @ll_buhl95024
The environment of biomolecular condensates, formed by LLPS, can be investigated using determined partitioning coefficients from a wide range of molecules. The time-zero 1H-13C HSQC was proposed and tested on a model system, where repetitions of the pulse sequence allows for correction of signal attenuation leading to precise quantification.
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Exploring the Effect of Aerogel on Mefenamic Acid Structure and Properties
Valentina Sobornova – @VSobornova7121
https://twitter.com/VSobornova7121/status/1681239368332132353?s=20
The effect of mefenamic acid on the physicochemical and sorption properties of aerogel was studied. 1H and 13C MAS, T1-T2 RRCOSY and 1H-1H NOESY NMR experiments were carried out to study the conformational state of mefenamic acid and its effect on the aerogel structure. The results show that the group fraction of conformer groups of mefenamic acid changes by 53% in the presence of aerogel.
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Determination of the predominant conformation of Arbidol solvates in scCO2 by NMR
Eventova Varvara – @evarvara24
Crystalline forms of medicinal compounds in the form of crystalline solvates have increased solubility in water and can be used to improve therapeutic properties. When obtaining solvates, the choice of solvent is important. In this work, the predominant conformations of arbidol in scCO2+2% DMSO-d6 were determined by NMR and X-Ray methods. The results showed the promise of using scCO2 as an alternativevto organic solvents.
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Deuterium Relaxation as a Probe to investigate Conformational Analysis of Beta-lactoglobulin (β-lg)
Sakshi Bhagat – @sakszi
Being the most dynamic component of majority of biological processes solvent plays a crucial role in changing the protein’s conformation in the system. The structural evolution of protein in various media, such as co-solvents, electrolytes, and others indicates existence of various intra- and intermolecular interactions that are responsible for maintaining protein stability. In the present study we focussed on the spin-lattice relaxation of deuterium nuclei present in co-solvents deciphering conformational changes in β-LG at variable concentration of co-solvent at a neutral pH. Β-LG is a milk protein with 162 Amino acids and is found abundantly in milk and is one the most extensively studied β-sheet protein. Presently, tri-fluorethanol (TFE) and Acetonitrile (ACN) are the two organic solvents under investigation. Spin-lattice relaxation rates of 2H nuclei can provide solitary insights into time dependent conformational fluctuation of β-LG from beta sheet to the α-helix structure.
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