Ran Wei – @RanWei_NMR
A new stopped-flow NMR apparatus was constructed to capture the fleeting information from irreversible chemical reactions at the millisecond timescale. With the aid of this technique, we are able to study short-lived intermediates, and evolving reactions that occur beyond the measurement deadtime of traditional NMR experiments (t1/2 = 45 ms).
Raj Chaklashiya – @RajChaklashiya
It is the NMR spectroscopist’s dream to perform Magic-Angle Spinning (MAS) NMR at temperatures below 100 K for significant Boltzmann polarization signal gains. Here we demonstrate this using NMR with stable MAS spinning at 24 – 100 K using a novel helium gas recirculation system developed in collaboration with JEOL.
Simon P. Skinner – @nmronline
NMR Online is an NMR spectroscopy data analysis platform. It’s NMR community-led, web-based, cloud-driven. Built with leading tech, and a test-driven approach. NMR Online – BETA features a CEST workflow to demonstrate how this analysis can be done in under 10 clicks! Please DM for login information.
Matthew D. Giammar – @Matth__3w
Mrsimulator is an open-source and free Python package for fast computation and analysis of NMR spectra compatible with other modern packages like Scikit-learn, Keras, and nmrglue. Mrsimulator offers least-squares fitting of 1D and 2D spectra out-of-the-box and can run in Jupyter Notebooks. Documentation: https://mrsimulator.readthedocs.io/en/latest/
James J. Kimball – @jimmy_kimball97
In this work, we present new research on the successful implementation of the Broadband Adiabatic-Inversion Cross Polarization pulse sequence for the acquisition of Ultra-Wideline NMR spectra of half-integer quadrupolar nuclei using low power pulses. Numerical simulations are used to explore underlying mechanisms and are correlated with experimental results.
Isha Yadav – @IshaYadav_1809
Battery is efficient and safer energy storage device . We will use advanced NMR instrumentation and pulse sequence (19 F – 7 Li correlation ) to study solid polymer electrolytes to establish ion conductivity – structural relationship , stability- structural relationship and through DNP we can deal with electrode-electrolyte interface.
Soumendu Boral – @BoralSoumendu
Inteins perform protein splicing reaction. We solved solution NMR structure (PDB code: 7CFV) of a 136-residue DnaX mini-intein. The NMR structural ensemble has backbone and heavy atom RMSD of 0.27 and 0.52 Å, respectively. NMR-based HX and 15N-relaxation experiments showed the presence of a very stable core and conserved motions.
Benjamin Atterberry – @BenjaminAtterb1
The noble metal platinum is widely utilized in numerous catalytic processes. However, the structure of Pt sites in heterogeneous catalysts are often ill-defined. Herein, we introduce a series of solid-state NMR experiments that use indirect detection of a sensitive spy nucleus (1H or 31P) to rapidly acquire 195Pt NMR spectra.
Shubha Gunaga – @sgshubha_
We have studied the dynamics of methyl group rotations experimentally as well theoretically in brominated and chlorinated cocrystals of 2,3,5,6-tetramethylpyrazine. Five novel cocrystals were synthesized and characterized via single crystal and X-ray powder diffraction. 2H NMR spin-echo experiments were carried out over the temperature range of 140 K to 320 K.
Jared Scott Wood – @jaredscottwood
Quantitative analysis of heteroatoms in small molecule active pharmaceutical ingredients is crucial for the development of modern therapeutics. Here we present a robust and generally applicable 35Cl solution qNMR method to assay the level of chloride in pharmaceutical compounds.
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