2022

  • Structural properties of the SARS-CoV-2 Envelope viroporin

    Joao Medeiros Silva – @JMSism

    The Envelope Protein of SARS-CoV-2 forms a viroporin that induces inflammation and acute respiratory symptoms associated with COVID-19. Using ssNMR, we describe the structure and gating mechanisms governing this viroporin. 19F-NMR experiments revealed an aromatic network regulating the channel, which adopts an open-configuration at acidic pH and presence of calcium.

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  • A New solid-state NMR Homonuclear Correlation Method and its Application for Detecting Nucleotides and Their Hydrogen Bonds in Intact Viral RNA

    Orr Simon Lusky – @ItIsLusk

    We present a new solid state NMR method we developed for studying biological macromolecules called ‘Pulse induced resonance with angular dependent total enhancement’ (PIRATE). We demonstrate a new resonance condition, and the application on finding hydrogen bond patterns in intact viral RNA harvested directly from the MS2 bacteriophage.

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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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