Optimization of Pulses with Low Bandwidth for Improved Excitation of Multiple-Quantum Coherences in NMR of Quadrupolar Nuclei

Jens Jakob Winther H Sørensen; Jacob Søgaard Nyemann; Felix Motzoi; Jacob Sherson; Thomas Vosegaard

doi:10.1063/1.5141384

Optimization of Pulses with Low Bandwidth for Improved Excitation of Multiple-Quantum Coherences in NMR of Quadrupolar Nuclei

Jens Jakob Winther H Sørensen, Jacob Søgaard Nyemann, Felix Motzoi, Jacob Sherson, Thomas Vosegaard

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

10 Citations (Scopus)

Abstract

We discuss the commonly encountered problem when optimizing nuclear magnetic resonance (NMR) pulses using optimal control that the otherwise very precise NMR theory does not provide as excellent agreement with experiments. We hypothesize that this disagreement is due to phase transients in the pulse due to abrupt phase and amplitude changes resulting in a large bandwidth. We apply the gradient optimization using parametrization algorithm that gives high fidelity pulses with a low bandwidth compared to the typical gradient ascent pulse engineering pulses. Our results obtain a better agreement between experiments and simulations supporting our hypothesis and solution to the problem.

Original language	English
Article number	054104
Journal	Journal of Chemical Physics
Volume	152
Issue	5
Number of pages	10
ISSN	0021-9606
DOIs	https://doi.org/10.1063/1.5141384
Publication status	Published - 2020

Access to Document

10.1063/1.5141384

https://arxiv.org/pdf/1912.05862.pdf

Cite this

@article{956f524ac6274501b18e2148d80b5df9,

title = "Optimization of Pulses with Low Bandwidth for Improved Excitation of Multiple-Quantum Coherences in NMR of Quadrupolar Nuclei",

abstract = "We discuss the commonly encountered problem when optimizing nuclear magnetic resonance (NMR) pulses using optimal control that the otherwise very precise NMR theory does not provide as excellent agreement with experiments. We hypothesize that this disagreement is due to phase transients in the pulse due to abrupt phase and amplitude changes resulting in a large bandwidth. We apply the gradient optimization using parametrization algorithm that gives high fidelity pulses with a low bandwidth compared to the typical gradient ascent pulse engineering pulses. Our results obtain a better agreement between experiments and simulations supporting our hypothesis and solution to the problem.",

author = "S{\o}rensen, {Jens Jakob Winther H} and Nyemann, {Jacob S{\o}gaard} and Felix Motzoi and Jacob Sherson and Thomas Vosegaard",

year = "2020",

doi = "10.1063/1.5141384",

language = "English",

volume = "152",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "5",

}

Optimization of Pulses with Low Bandwidth for Improved Excitation of Multiple-Quantum Coherences in NMR of Quadrupolar Nuclei. / Sørensen, Jens Jakob Winther H; Nyemann, Jacob Søgaard; Motzoi, Felix et al.
In: Journal of Chemical Physics, Vol. 152, No. 5, 054104, 2020.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

TY - JOUR

T1 - Optimization of Pulses with Low Bandwidth for Improved Excitation of Multiple-Quantum Coherences in NMR of Quadrupolar Nuclei

AU - Sørensen, Jens Jakob Winther H

AU - Nyemann, Jacob Søgaard

AU - Motzoi, Felix

AU - Sherson, Jacob

AU - Vosegaard, Thomas

PY - 2020

Y1 - 2020

N2 - We discuss the commonly encountered problem when optimizing nuclear magnetic resonance (NMR) pulses using optimal control that the otherwise very precise NMR theory does not provide as excellent agreement with experiments. We hypothesize that this disagreement is due to phase transients in the pulse due to abrupt phase and amplitude changes resulting in a large bandwidth. We apply the gradient optimization using parametrization algorithm that gives high fidelity pulses with a low bandwidth compared to the typical gradient ascent pulse engineering pulses. Our results obtain a better agreement between experiments and simulations supporting our hypothesis and solution to the problem.

AB - We discuss the commonly encountered problem when optimizing nuclear magnetic resonance (NMR) pulses using optimal control that the otherwise very precise NMR theory does not provide as excellent agreement with experiments. We hypothesize that this disagreement is due to phase transients in the pulse due to abrupt phase and amplitude changes resulting in a large bandwidth. We apply the gradient optimization using parametrization algorithm that gives high fidelity pulses with a low bandwidth compared to the typical gradient ascent pulse engineering pulses. Our results obtain a better agreement between experiments and simulations supporting our hypothesis and solution to the problem.

UR - https://arxiv.org/abs/1912.05862

UR - http://www.scopus.com/inward/record.url?scp=85079109216&partnerID=8YFLogxK

U2 - 10.1063/1.5141384

DO - 10.1063/1.5141384

M3 - Journal article

C2 - 32035436

SN - 0021-9606

VL - 152

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 5

M1 - 054104

ER -

Optimization of Pulses with Low Bandwidth for Improved Excitation of Multiple-Quantum Coherences in NMR of Quadrupolar Nuclei

Abstract

Access to Document

Other files and links

Fingerprint

Cite this