the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Coherence locking in a parallel NMR probe defends against gradient field spillover
Abstract. The implementation of parallel nuclear magnetic resonance detection aims to enhance measurement throughput in support of high throughput screening applications including, for example, drug discovery. In support of modern pulse sequences and solvent suppression methods, it is important that each detection site has independent pulsed field gradient capabilities. Hereby, a challenge is introduced, in which the local gradients applied in parallel detectors introduce field spillover in adjacent channels, leading to spin dephasing and hence to signal suppression. This study proposes a compensation scheme employing optimized pulses to achieve coherence locking during gradient pulse periods. The design of coherence-locking pulses utilizes optimal control to address gradient-induced field inhomogeneity. These pulses are applied in a PGSE experiment, and a parallel HSQC experiment, demonstrating their effectiveness in protecting the desired coherences from gradient field spillover. This compensation scheme presents a valuable solution for magnetic resonance probes equipped with parallel and independently switchable gradient coils.
Competing interests: J.G.K. serves on the editorial board of Magnetic Resonance and is a shareholder of Voxalytic GmbH, a spinoff company that produces and markets microscale NMR devices. The other authors declare no competing interests.
Publisher's note: Copernicus Publications remains neutral with regard to jurisdictional claims made in the text, published maps, institutional affiliations, or any other geographical representation in this preprint. The responsibility to include appropriate place names lies with the authors.- Preprint
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Status: open (until 06 Apr 2025)
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RC1: 'Comment on mr-2025-3', Anonymous Referee #1, 13 Mar 2025
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This is a clever idea to use spin locking to essentially desensitize desired coherences from unwanted gradient spillover effects from a gradient set adjacent to the one which is being actively used. I have only a few minor suggestions to the manuscript.Â
1. Reference to parallel imaging in the introduction is not really appropriate. For example SENSE (Pruessman) uses measured coil sensitivity maps to reconstruct undersampled data from a single sample and multiple detectors, so this is a very different scenario from the one here.Â
2. The authors often talk about spillover from one detector to another, by which they mean one coil/gradient combination to another, but i think this would be better phrased as gradient spillover, or the effects of gradient spillover, to separate from RF spillover.Â
3. How generalizable is this approach to a much more complicated spin system, ie not just an IS heteronuclear one. Presumably spin locking would only be applicable to certain coherences at certain evolution times, or is this not correct. It would be good to see some discussion of this topic at the end of the paper.Â
4. The authors state the pulse optimization does not account for homonuclear (HH or XX) coupling. Is this theoretically possible assuming a certain coupling constant, or does the problem become intractable for realistic spin systems?
5. The final paragraph of the conclusion is very strangely worded and could easily be removed.Â
Citation: https://doi.org/10.5194/mr-2025-3-RC1 -
RC2: 'Comment on mr-2025-3', Anonymous Referee #2, 24 Mar 2025
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Really nice work to mitigate gradient field spillover in parallel NMR spectroscopy, a technique aimed at increasing throughput for applications like drug discovery. The authors introduce "coherence-locking" (CLOC) pulses, designed via optimal control theory, to protect spin coherences from dephasing caused by gradient pulses in adjacent detectors. The study tests this compensation scheme in pulsed gradient spin echo (PGSE) and heteronuclear single quantum coherence (HSQC) experiments, using a custom parallel NMR probe. A great idea and well executed. Although there are some limitations (related to spin-system specificity), the approach is innovative and potentially useful and therefore fully worthy of publication. The authors may wish to add a statement explaining the generalizability of approach)
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Citation: https://doi.org/10.5194/mr-2025-3-RC2
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