NMR Methods / Theory

  • Baseline Correction in NMR Spectroscopy

    Ruoru Ma – @ruoruma

    In NMR, the baseline distortion usually appears as a curve displaced from the ideal flat line at Zero intensity. Corrections of these distortions is a necessary step in NMR spectra data processing to ensure the peak assignment as well as concentration prediction. The automatic baseline distortion correction method was reviewed.

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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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  • 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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