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Triggered functional dynamics of AsLOV2 by time-resolved electron paramagnetic resonance at high magnetic fields
Brad D. Price – @braddprice
An in-depth functional understanding of proteins requires a technique for tracking their movement in real time. We present high-field, (tr)EPR ‘filming’ of room-temperature protein motion as progress toward real-time distance tracking in lifelike environments.
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DNP of high spin radicals with a spin 1/2 sensitizer
Santiago Bussandri Mattia – @SantiBussandri
High-spin paramagnetic systems do not give rise to DNP effects by themselves, but in theory, this can be achieved by mixing these radicals with spin 1/2 radicals. In this work, we seek to demonstrate DNP using a mixture of spin 1/2 and higher spin radicals at high magnetic field.
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Attenuation of Double-Quantum Cross-Relaxation in Overhauser DNP
Ravi Shankar Palani – @rshankarpalani
The Overhauser Effect DNP observed in insulating solids doped with BDPA radicals is investigated comprehensively for the role of individual 1H nuclear spins in hyperpolarizing the bulk, prompting us to selectively eliminate the 1H spins experiencing dominant DQ cross-relaxation, thereby obtaining improved bulk enhancements.
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Understanding DNP through the lens of the EPR
Asif Equbal – @asifequbal313
Dynamic nuclear polarization (DNP) is a technique for increasing the sensitivity of NMR by transferring the polarization from electron spins to nuclear spins. DNP has great potential, but experimental efficiencies are still far below the theoretical optimum, for reasons that are not well understood. In this poster, I will present some case studies showing how EPR can be used to measure electron spin dynamics and decipher the DNP mechanism.
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Revealing the Dehydration/Deuteration Processes at the Liquid-Solid Interface by Nuclear Magnetic Resonance Spectroscopy
Chuanyu Yan – @yan_chuanyu
The liquid-solid interface is of great importance in fundamental and applied research. However, the in-situ characterization of liquid-solid interfaces is very challenging. In this work, we demonstrated that {1H–29Si-}1H multiple-contact cross polarization with indirect detection (MCPi) solid-state nuclear magnetic resonance (ssNMR) spectroscopy is an excellent tool for studying dehydration and deuterium exchange at the solvent-silica interface.
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Understanding the interfacial region in organic ionic composite materials
Yady Senayda Garcia Castillo – @yadygarcia89
Composites between OIPCs and polymer particles have recently been of interest because they combine the non-flammability, non-volatility, plasticity, electrochemical, and thermal stability of OIPCs, while at the same offering the mechanical stability provided by the polymer. ssNMR is implemented to study the structural changes and ions dynamics and is correlated with Electrochemical Impedance Spectroscopy (EIS) to determine the ion transport in the composite. It is expected that the composite will take advantage of the intrinsic properties of the OIPC like plasticity, the mechanical strength of the polymer, and the formation of the interphase between them, which will add new properties.
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Overhauser Dynamic Nuclear Polarization to study local water dynamics in polymer solution
Thomas Webber – @ThomasW35463255
Overhauser Dynamic Nuclear Polarization (ODNP) is a novel magnetic resonance tool which combines NMR and EPR to study local (within 1 nm) water dynamics near spin-labeled surfaces. I apply ODNP to study water diffusion in aqueous polymer systems, showing that polymer crowding slows molecular water significantly.
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Resonance with a cause: applying NMR and NQR spectroscopy to inorganic metal bromides
Riley W. Hooper – @rileyhooper97
Halogen NMR and NQR spectroscopy is often challenging due to large quadrupole moments for the NMR-active nuclei of Cl, Br, and I. Nevertheless, these nuclei can provide invaluable structural and dynamic information for materials. We have studied two such examples of lead-bromide materials via 79/81Br NMR and NQR spectroscopy.
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Probing the atomic-level structure of LiPON amorphous electrolytes of microbatteries using solid-state NMR
Racha Bayzou – @RBayzou
Amorphous LiPON thin-films are the standard electrolytes for all-solid microbatteries. They are prepared by the radiofrequency sputtering from Li3PO4 targets under a pure N2 atmosphere. In this work, we elucidate the relationships between deposition conditions and local atomic-level structure using 31P, 7Li and 14N solid-state NMR.
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Towards Endogeneous DNP-NMR in semiconducting nanoparticles
Ran Eitan Abutbul – @RanEitanAbutbul
This work demonstrates the endogenous DNP approach in nanoparticles where the polarizing agents are transition metal ions with unpaired electrons incorporated in the inorganic lattice. CdS:Mn nanoparticles were synthesized and characterized using TEM, EPR, and ICP-MS. Significant DNP enhancement for 113Cd nuclei surface and core moieties was observed.
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NMR insights into the impact of Al incorporation on the structure and dynamics of β-Li3PS4
Hongtao Qu – @QuHongtao
We investigate the impact of Al incorporation on the structure and dynamics of Al-doped lithium thiophosphates (Li3-3xAlxPS4) based on β-Li3PS4. 27Al and 6Li MAS NMR spectra confirm that Al3+ ions occupy octahedral sites in the structure. Quantitative analyses of 27Al NMR that the maximum Al incorporation is x=0.06 in Li3-3xAlxPS4. NMR relaxometry shows that the activation barrier for long-range Li ion diffusion in β-Li3PS4 hardly changes upon Al incorporation, but the onset temperature for doping comes down significantly. The activation barrier in the subsequently formed multiphase material decreases significantly, however, indicating a different more efficient Li ion conduction pathways.
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Solid-state 31P NMR study of Ca/Mg modified biochars aiming application as slow-release phosphate fertilisers
Mariana Coelho Santoro – @marianacsantoro
This work describes a solid-state 31P NMR investigation of the chemical nature of adsorbed phosphate groups in Ca/Mg modified biochars. Biomass was used to synthesise steam-activated biochars, followed by precipitation of Ca or Mg metals for later adsorption of phosphates from phosphate-rich solutions, aiming the obtention of a material with bioavailable phosphate forms to be used as slow-release fertilisers. The 31P NMR results showed that the Mg/modified biochars had a higher phosphate adsorption capacity. Also, signals with distinct chemical shifts and linewidths were observed in the spectra of samples immersed in different phosphate solutions.
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