Journal article
Seedless: on-the-fly pulse calculation for NMR experiments
- Abstract:
- NMR experiments require sequences of radio frequency (RF) pulses to manipulate nuclear spins. Signal is lost due to non-uniform excitation of nuclear spins resonating at different energies (chemical shifts) and inhomogeneity in the RF unavoidably generated by hardware over the sample volume. To overcome this, we present Seedless, a tool to calculate NMR pulses that compensate for these effects to enhance control of magnetisation and boost signal. As calculations take only a few seconds using an optimised GRadient Ascent Pulse Engineering (GRAPE) implementation, this now allows pulses to be generated in a few seconds, allowing them to be optimised for individual samples and spectrometers (“on-the-fly”). Each calculated pulse requires bands of chemical shift to be identified, over which one of 4 transforms will be performed, selected from a set that covers all commonly used applications. Using imaging experiments, we demonstrate our pulses effectively both increase the size of the coil volume and signal-to-noise in all experiments. We illustrate the approach by showing sensitivity gains in 1, 2 and 3D applications suitable for chemical and biological NMR. Seedless provides a means to enhance sensitivity in all pulse sequences in a manner that can be tailored to different samples and hardware being used.
- Publication status:
- Published
- Peer review status:
- Peer reviewed
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(Preview, Version of record, pdf, 1.3MB, Terms of use)
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(Preview, Supplementary materials, pdf, 9.8MB, Terms of use)
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- Publisher copy:
- 10.1038/s41467-025-61663-8
Authors
+ European Research Council
More from this funder
- Funder identifier:
- https://ror.org/0472cxd90
- Grant:
- 101002859
- Publisher:
- Springer Nature
- Journal:
- Nature Communications More from this journal
- Volume:
- 16
- Issue:
- 1
- Article number:
- 7276
- Place of publication:
- England
- Publication date:
- 2025-08-07
- Acceptance date:
- 2025-06-27
- DOI:
- EISSN:
-
2041-1723
- Pmid:
-
40775231
- Language:
-
English
- Pubs id:
-
2277689
- Local pid:
-
pubs:2277689
- Deposit date:
-
2025-08-21
- ARK identifier:
Terms of use
- Copyright holder:
- Buchanan et al
- Copyright date:
- 2025
- Rights statement:
- © The Author(s), 2025. This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder.
- Licence:
- CC Attribution (CC BY)
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