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Characterization of phosphorus clusters via multiple quantum solid state NMR
Lokeswara Rao Potnuru – @lokeswarnmr
Nonclassical growth pathways are generally confined to analysis via microscopy and X-Ray techniques due to prenucleation cluster size and stability constraints. Herein, we describe a novel technique for analyzing prenucleation cluster formation via 31P NMR spin counting of vitrified samples, which allows for atomic systems to be analyzed at varying time points.
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Electrochemical Complexation of Polyatomic Aluminum Ions to Heterogeneous Organic Electrode Samples Investigated Using Solid-State Dipolar-Mediated NMR Methods
Leo W. Gordon – @Leowgordon
https://twitter.com/LeoWGordon/status/1554864028702343168?s=20&t=w6CYn9NvW42_bVr3GgCU6Q
Rechargeable aluminum-organic batteries consist of Earth-abundant materials with tunable properties. However, due to the complexity of these systems there is no complete, experimentally validated mechanism in the literature. We employ solid-state NMR methodologies to investigate the electrochemical enolization mechanism of quinones, while also elucidating the nature of their electroactive ions.
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Local structure of dopants in metal halide perovskites
Dominik Kubicki – @DominikJKubicki
Doping with metals, non-metals, and small organic molecules is essential for enhancing the optoelectronic properties of metal halide perovskites. Those dopants are typically present in only very small quantities, so it is challenging to study them. I will show how solid-state MAS NMR can help.
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2D EXSY NMR and molecular dynamics (MD) simulations of anions of an RTIL (BMIM+-TFSI-)
Jinlei Cui – @cui_jinlei
2D EXSY NMR and molecular dynamics (MD) simulations are applied to investigate the diffusivity of anions of an RTIL (BMIM+–TFSI–), dissolved in five different organic solvents, in the micropores of activated carbon. The comparisons of ion diffusivities between the experiments and the MD simulations suggest the need to consider also the surface functionalities of activated carbon for the simulation of ion diffusion in the micropores of activated carbon.
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Case study of a protein-based biopolymer using solid-state NMR
Bhargy Sharma – @BhargySharma
In our research, we study a protein-based biopolymer – the slime from velvet worms. This slime has unique physico-chemical properties which can inspire novel recyclable sustainable materials. Combining bioinformatics and biophysical tools, we propose the mechanism of structural transitions from viscous crude slime solution to fibers with high tensile stiffness.
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Mere Anarchy is Loosed: Structural Disorder in Cu2Zn1–xCdxSnS4
Amit Bhattacharya – @AmitB0021
Solid-state NMR spectroscopy is used to delve into the local structural variation in photovoltaic Cu2Zn1–xCdxSnS4 materials and their conversion to a stannite phase upon critical Cd-loading. 113Cd NMR spectroscopy reveals the coexistence of stannite and kesterite. 63Cu NMR data combined with DFT computations resolve the conundrum of Cu/Zn disorder.
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Protein Methyl-Side Chain Dynamics via Nanoparticle-Assisted NMR Spin Relaxation
Xinyao Xiang – @xxiang2022
The nanoparticle-assisted NMR spin relaxation (NASR) method measures the enhancement in transverse spin relaxation in the presence of slowly tumbling nanoparticles. It uncovers protein internal motions on the previously unobservable nanosecond to microsecond regime. We recently extended our NASR method to methyl-side chains using 2H or 13C spin relaxation.
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Composited pulses and dynamical decoupling at zero to low-field NMR
Sven Bodenstedt – @SvenBodenstedt
We will show procedures of error-tolerant, fast and general spin control of heteronuclear spin systems in zero to low-field environments. Experimental examples include dynamical decoupling of spin decoherence pathways as well as for optimized selective rotations of different spin species.
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Characterization of soil organic matter (SOM) using Solid State NMR
Nikita Rao – @raoniki96
Soil is a vital component of our ecosystem and soil organic matter (SOM) is the key to a healthy soil. We aim to improve the sensitivity, resolution and instrumentation of NMR and use the results to study the impact of various environmental and other factors on the soil.
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Catch me if you can – new stopped-flow NMR methods
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).
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Stable MAS NMR at Ultralow Temperatures from 24 – 100 K
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.
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NMR Online – Leave the desktop behind
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.
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