Computational design of NMR pulse sequences

Zdenek Tosner; Niels Christian Nielsen; Mads Sloth Vinding

doi:10.1016/B978-0-12-409547-2.12105-5

Computational design of NMR pulse sequences

Zdenek Tosner, Niels Christian Nielsen, Mads Sloth Vinding

Aarhus University

Research output: Contribution to book/anthology/report/proceeding › Encyclopedia entry › Research

Abstract

Numerical simulations are finding an increasing use as means to design optimal experiments for NMR and MRI applications. This is ascribed to increasing challenges in designing experiments by analytic means due to increasing complexity in the involved nuclear spin systems (including anisotropic nuclear spin interactions) and the wish to exploit advanced instrumentation optimally under the consideration of sample geometry, sample rotation, gradient fields, and inhomogeneities in radio-frequency and static fields. This chapter describes how to set up the objective function as well as different optimization methods operating on levels of Bloch equations, density operators, and propagators with particular focus on optimal control theory. Examples are given within liquid- and solid-state NMR spectroscopy and MRI.

Original language	English
Title of host publication	Encyclopedia of Spectroscopy and Spectrometry : Encyclopedia of Spectroscopy and Spectrometry (Third Edition)
Editors	John C. Lindon, George E. Tranter, David W. Koppenaal
Number of pages	9
Publisher	Elsevier
Publication date	2017
Edition	3rd
Pages	341–349
ISBN (Print)	978-0-12-803224-4
DOIs	https://doi.org/10.1016/B978-0-12-409547-2.12105-5
Publication status	Published - 2017

Keywords

Bloch
Density operator
Gradient Ascent
Krotov
Liouville von-Neumann
Liquid-state NMR
MRI
Optimal control
Propagator
Solid-state NMR

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10.1016/B978-0-12-409547-2.12105-5

Cite this

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title = "Computational design of NMR pulse sequences",

abstract = "Numerical simulations are finding an increasing use as means to design optimal experiments for NMR and MRI applications. This is ascribed to increasing challenges in designing experiments by analytic means due to increasing complexity in the involved nuclear spin systems (including anisotropic nuclear spin interactions) and the wish to exploit advanced instrumentation optimally under the consideration of sample geometry, sample rotation, gradient fields, and inhomogeneities in radio-frequency and static fields. This chapter describes how to set up the objective function as well as different optimization methods operating on levels of Bloch equations, density operators, and propagators with particular focus on optimal control theory. Examples are given within liquid- and solid-state NMR spectroscopy and MRI.",

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Computational design of NMR pulse sequences. / Tosner, Zdenek; Nielsen, Niels Christian ; Vinding, Mads Sloth.
Encyclopedia of Spectroscopy and Spectrometry: Encyclopedia of Spectroscopy and Spectrometry (Third Edition). ed. / John C. Lindon; George E. Tranter; David W. Koppenaal. 3rd. ed. Elsevier, 2017. p. 341–349.

Research output: Contribution to book/anthology/report/proceeding › Encyclopedia entry › Research

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AB - Numerical simulations are finding an increasing use as means to design optimal experiments for NMR and MRI applications. This is ascribed to increasing challenges in designing experiments by analytic means due to increasing complexity in the involved nuclear spin systems (including anisotropic nuclear spin interactions) and the wish to exploit advanced instrumentation optimally under the consideration of sample geometry, sample rotation, gradient fields, and inhomogeneities in radio-frequency and static fields. This chapter describes how to set up the objective function as well as different optimization methods operating on levels of Bloch equations, density operators, and propagators with particular focus on optimal control theory. Examples are given within liquid- and solid-state NMR spectroscopy and MRI.

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BT - Encyclopedia of Spectroscopy and Spectrometry

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A2 - Koppenaal, David W.

PB - Elsevier

ER -

Computational design of NMR pulse sequences

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Keywords

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