Seedless: on-the-fly pulse calculation for NMR experiments

Journal article

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.

Authors: Buchanan, CJ; Bhole, G; Karunanithy, G; Casablancas-Antràs, V; Poh, AWJ

• Publication status: Published
• Peer review status: Peer reviewed
• Publisher: Nature Research
• Journal: Nature Communications
• Volume: 16
• Issue: 1
• Article number: 7276
• Publication date: 2025-08-07
• Acceptance date: 2025-06-27
• DOI: 10.1038/s41467-025-61663-8
• EISSN: 2041-1723
• ISSN: 2041-1723
• Language: English