2024

  • Optimal control pulses for the 1.2-GHz (28.2-T) NMR spectrometers

    David Joseph – @DaJo_1729

    In this work we overcome the high-power demands by designing optimal control (OC) pulses with up to 20 times lower power requirements than currently necessary at a 1.2-GHz spectrometer. We show that multidimensional biomolecular NMR experiments constructed using these OC pulses can bestow improvement in the S/N ratio of up to 26%. With the expected power limitations of a 5-mm cryoprobe, we observe an enhancement in the S/N ratio of more than 240% using our OC sequences. This motivates the development of a cryoprobe with a larger volume than the current 3-mm cryoprobes at 1.2 GHz spectrometer.

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  • Fluorine-19 Decoupling in Solid-state NMR

    Zeba Qadri – @ZebaQadri92778

    Fluorine-19 solid-state NMR offers significant advantages in pharmaceutical and material studies, providing atomic-level insights into structure and dynamics due to its high sensitivity and abundance. Despite its potential, F-19 decoupling remains challenging due to high chemical shift anisotropy. This presentation would bring forth the issues associated with f-19 decoupling while applying the traditional decoupling strategies and possible solutions to overcome it and enhance their efficacy towards spectral resolution.

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  • Spin-Rotation Relaxation: Experiment/Computation

    Alexej Jerschow – @ajerschow

    We discuss here several situations where effective SR relaxation is observed experimentally, and aim to model these relaxation interactions using MD simulations and ab initio calculations. We show examples of where SR becomes a dominant relaxation contribution in the study of nuclear spin singlet order, and examine in particular the situation of free and hindered methyl rotations.

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  • How Do We Teach Nuclear Magnetic Resonance?

    Scott Carnahan – @scarnaha_smumn

    I wish to start a conversation on how NMR is taught. I’ll discuss how we approach education of NMR at my University, and solicit input from the community on how NMR is taught elsewhere. As NMR is a significantly important technique, how we teach our students NMR is likewise vital.

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  • Sensitivity enhancement by theoretical optimization of Rydberg sensor

    Samaneh Birzhandi

    Rydberg sensors are developed based on their high sensitivity and ability to track the field frequency. Based on the fact that low field measurement is favorable to open up more applications, we offer a method to increase both the resolution and accuracy of these devices. Two detuned resonances are measured and the difference of the two measurements provides higher response to the applied field.

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  • Ultralow-field nuclear magnetic resonance for direct nondestructive observation of electrolyte composition in batteries

    Roman Picazo-Frutos – @PicazoFrutosN

    Rechargeable batteries represent a key transformative technology for electric vehicles, portable electronics, and renewable energy. Despite enormous developments in battery research, there are few nondestructive diagnostic techniques compatible with realistic commercial-type cell enclosures. Many battery failures result from the loss or chemical degradation of electrolyte. Here we show measurements that allow quantification of electrolyte amount, composition, and potentially degradation, through battery enclosures. Instrumentation and techniques developed in the context of zero-to-ultralow-field nuclear magnetic resonance (ZULF NMR) with optically pumped atomic magnetometers as the detection elements are used for this study. In contrast to conventional NMR methodology, the reduced background magnetic fields employed here make even potentially thick stacks of battery housing and electrodes transparent to the lower-frequency electromagnetic fields involved. Both the solvent and lithium-salt components of the chemical signature can be quantified, as the results described herein demonstrate.

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