NMR Pulse Sequences and RF Shapes for RAPID-HMQC

Veliparambil Subrahmanian, Manu
Veglia, Gianluigi
2024-02-01
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https://doi.org/10.13020/jsp0-d375
 https://hdl.handle.net/11299/260317
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Title

NMR Pulse Sequences and RF Shapes for RAPID-HMQC

Published Date

2024-02-01

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Veglia Lab

Author Contact

Veglia, Gianluigi
vegli001@umn.edu

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Abstract

The dataset includes radio frequency (RF) shapes and pulse sequences for the RAPID-HMQC nuclear magnetic resonance (NMR) experiment, which were developed using an evolutionary algorithm and artificial intelligence. These novel RF pulses significantly expand the bandwidths for 1H and 15N nuclei and enable the rapid acquisition of spectra.

Description

The .mrf file is a Bruker shape file type, which describes the shape of the RF pulse. This format contains a two-column layout for the amplitude and phase shape of the RF pulse. RF pulses typically apply a flipping operation to the nuclear spins, which is crucial for the accurate manipulation of spin dynamics in NMR experiments. A Bruker pulse sequence in NMR spectroscopy consists of a series of radiofrequency (RF) pulses and timed delays, specifically designed for Bruker spectrometers, to manipulate nuclear spins in a sample. Such manipulation is essential for the precise measurement of molecular characteristics, including chemical shifts and relaxation times of the molecules in the sample. The Bruker Shape Files (*.mrf) are utilized in the pulse sequence to intricately control the complex spin dynamics.

Referenced by

Manu VS, Gianluigi Veglia, 'AI-designed RF pulses enable fast pulsing heteronuclear multiple quantum coherence NMR experiments at high and ultra-high magnetic fields', Chemical Communications, D3CC05370A (2024).
https://doi.org/10.1039/D3CC05370A

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RF pulse shapes are copyrighted by Regents of the University of Minnesota and the software for generating RF shapes covered by US patent 11,221,384. Regents of the University of Minnesota will license the use of RF shapes solely for educational and research purposes by non-profit institutions and US government agencies only. For other proposed uses, contact umotc@umn.edu. The software may not be sold or redistributed without prior approval. One may make copies of the software for their use provided that the copies, are not sold or distributed, are used under the same terms and conditions. As unestablished research software, this code is provided on an "as is'' basis without warranty of any kind, either expressed or implied. The downloading, or executing any part of this software constitutes an implicit agreement to these terms. These terms and conditions are subject to change at any time without prior notice.

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Data Repository for U of M (DRUM)

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Veliparambil Subrahmanian, Manu; Veglia, Gianluigi. (2024). NMR Pulse Sequences and RF Shapes for RAPID-HMQC. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/jsp0-d375.

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Description
Size
Readme_Veglia_2024.txt
Description of data
(6.72 KB)
rapidhmqc.mpp
Bruker pulse sequence
(1.25 KB)
BandSelRe4_rf0.00_28.400p1_bw0.00p1.mrf
Bruker RF shape
(5.75 KB)
z2iyAz2z120xA0.9cs_rf0.00_31.977p1_bw0.00p1.mrf
Bruker RF shape
(11.23 KB)
z2iz_rf0.00_10.021p1_bw2.40B1.mrf
Bruker RF shape
(3.85 KB)

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