NMR Methods / Theory

  • Optimal Control Pulse (OPTIANS) for Optimal Polarization Transfer with Anisotropic Nuclear Spin Interactions

    Shovik Ray – @ray_shovik

    Cross-polarization (CP) is an indispensable part of solid-state nuclear magnetic resonance (NMR) spectroscopy to enhance sensitivity and extract structural information. However, the most common CP experiments are susceptible to anisotropic interactions (CSA and QC). A new OC pulse, OPTIANS will be presented which shows 50% better 19F-7Li/23Na PT efficiency compared to ramped CP, both in simulations and experimentally.

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  • 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.

    One response to “Optimal control pulses for the 1.2-GHz (28.2-T) NMR spectrometers”

    1. KSHAMA SHARMA Avatar
      KSHAMA SHARMA

      Dear David, Thank you for your presentation!

      Could these pulses be adapted for other systems, such as solid-state NMR where the RF requirements are much higher or low-field systems?

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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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  • Probing NV and SiV charge state dynamics using high-voltage nanosecond pulse and photoluminescence spectral analysis

    Artur Pambukhchyan – @APambukhch86933

    Nitrogen-vacancy (NV) and silicon-vacancy (SiV) color defects in diamond carry multiple charge states that possess various electronic, optical and spin properties important for quantum technology. We demonstrate that high-voltage pulses shift chemical potential and convert the charge states of NV and SiV centers with the transition rates of ∼ MHz.

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  • Minimizing the Perturbation of the Applied Magnetic Field by Optimizing Solid-State NMR Probe Structures

    Jasmin Schoenzart – @SchoenzartJas

    In this work we present ways to minimize the perturbation of the applied magnetic field by optimizing solid-state NMR probe structures. This is achieved by a combination of simulations and experiments, which take susceptibilities of all parts in the NMR probe into account to then study the net effect upon the sample. Based on those results, modifications to NMR probes can be made, to minimize unwanted contributions. The smaller the perturbation of the applied magnetic field, the narrower the observed possible linewidth and the higher the resolution of the experiment.

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  • Off-the-Shelf Gd(NO3)3 as an Efficient High-Spin Metal Ion Polarizing Agent for Magic Angle Spinning Dynamic Nuclear Polarisation

    Daniel Cheney – @DanielCheney14

    Paramagnetic metal ion complexes have been demonstrated as an alternative to traditionally-used biradical polarising agents for DNP, which are typically not commercially available. Based on this, we have introduced Gd(NO3)3 as an easily accessible and inexpensive “off-the-shelf” polarising agent, providing significant sensitivity enhancements for 13C and 15N.

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  • Nuclear Magnetic Resonance spectroscopy technique for Identification of Designer Drugs

    Annwesha Mazumdar – @Annwesha9

    It’s a challenging task to detect the metabolites of designer drugs in the body. NMR spectroscopy is one of the validating techniques for its utility of metabolic fingerprinting of various designer drugs and has opened a new horizon in forensics. This paper highlights the recent developments of Nuclear Magnetic Resonance spectroscopy applied for the Forensic identification of various designer drugs.

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