Post-acquisition correction of NMR spectra distorted by dynamic and static field inhomogeneity of cryogen-free magnets

Karabanov, Alexander; Kryukov, Eugeny; Langlais, Denis; Iuga, Dinu; Good, Jeremy

doi:10.1016/j.jmr.2023.107494

Cited by 1 publication

(1 citation statement)

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“…These are the techniques based on intermolecular multiple-quantum coherences that originate from long-range dipolar interactions among spins in different molecules, the techniques based on nutation echo and/or z -rotation pulse, and the techniques based on spatial encoding and phase correction that make direct phase compensation for the dephasing caused by field inhomogeneities . In addition to the experimental techniques mentioned above, high-resolution spectra can also be obtained from inhomogeneous magnetic fields using data postprocessing methods. − Compared with experimental techniques, data postprocessing methods have better compatibility and can be used in conjunction with various pulse sequences . A representative of this type of method is the reference deconvolution method, which can correct the effects of instrumental distortion including field inhomogeneity …”

Section: Introductionmentioning

confidence: 99%

Restore High-Resolution Nuclear Magnetic Resonance Spectra from Inhomogeneous Magnetic Fields Using a Neural Network

Xiao,

Wang,

Zhang

et al. 2023

Anal. Chem.

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High-resolution nuclear magnetic resonance (NMR) spectroscopy is a powerful analytical tool with wide applications. However, the conventional shim technique may not guarantee the homogeneity of the magnetic field when the experimental conditions are unfavorable. In this study, we proposed a data postprocessing method called Restore High-resolution Unet (RH-Unet), which uses a convolutional neural network to restore distorted NMR spectra that have been acquired in inhomogeneous magnetic fields. The method generates feature-label pairs from singlet peak regions and ideal Lorentzian line shapes and trains a RH-Unet model to map low-resolution spectra to high-resolution spectra. The method was applied to different samples and showed superior performance than the reference deconvolution method incorporated in Bruker Topspin software. The proposed method provides a simple and fast way to obtain high-resolution NMR spectra in inhomogeneous fields that can facilitate the application of NMR spectroscopy in various fields.

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