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Optimising NMR spectroscopy through method and software development

Record Type:	Electronic resources : Monograph/item
Title/Author:	Optimising NMR spectroscopy through method and software development/ by Jonathan Yong.
Author:	Yong, Jonathan.
Published:	Cham :Springer Nature Switzerland : : 2024.,
Description:	xxxv, 282 p. :ill. (chiefly col.), digital ;24 cm.
Notes:	"Doctoral thesis accepted by University of Oxford, Oxford, UK."
[NT 15003449]:	NMR Theory -- Pure Shift -- NMR -- POISE -- NOAH.
Contained By:	Springer Nature eBook
Subject:	Nuclear magnetic resonance spectroscopy. -
Online resource:	https://doi.org/10.1007/978-3-031-46684-7
ISBN:	9783031466847

Optimising NMR spectroscopy through method and software development
Yong, Jonathan.

Optimising NMR spectroscopy through method and software development[electronic resource] /by Jonathan Yong. - Cham :Springer Nature Switzerland :2024. - xxxv, 282 p. :ill. (chiefly col.), digital ;24 cm. - Springer theses,2190-5061. - Springer theses..

"Doctoral thesis accepted by University of Oxford, Oxford, UK."

NMR Theory -- Pure Shift -- NMR -- POISE -- NOAH.

This book provides a comprehensive overview of Nuclear Magnetic Resonance (NMR) theory, its applications, and advanced techniques to improve the quality and speed of NMR data acquisition. In this book, the author expands his outstanding Ph.D. thesis and provides a valuable resource for researchers, professionals, and students in the field of NMR spectroscopy. The book covers quantum mechanics basics, and topics like density operators, pulse sequences, 1D pulse acquisition, INEPT (Insensitive nuclei enhancement by polarization transfer), product operators, and 2D NMR principles. It also explores innovative experiments like States HSQC (Heteronuclear Single Quantum Coherence) and echo-antiecho HSQC with gradients. In the subsequent chapters, the author discusses Pure Shift NMR, including PSYCHE (Pure Shift Yielded by Chirp Excitation) and its optimizations, such as waveform parameterization and time-reversal methods. The 'Discrete PSYCHE' approach and Ultrafast PSYCHE-iDOSY (Diffusion-ordered spectroscopy) are also highlighted. This book presents the POISE (Parameter Optimisation by Iterative Spectral Evaluation) software for real-time NMR experiment optimization, including pulse width calibration and Ernst angle optimization, and demonstrates applications across various NMR experiments. Lastly, the book examines accelerated 2D NMR data collection and the NOAH (NMR by Ordered Acquisition using 1H detection) supersequences, emphasizing automated pulse program creation using GENESIS (GENEration of Supersequences In Silico) Covered NMR experiments include 13C sensitivity-enhanced HSQC, 15N HMQC (Heteronuclear Multiple Quantum Coherence), dual HSQC, HSQC-TOCSY (Total Correlation Spectroscopy), HMBC (Heteronuclear Multiple Bond Correlation), and ADEQUATE (Adequate Sensitivity Double-Quantum Spectroscopy)

ISBN: 9783031466847

Standard No.: 10.1007/978-3-031-46684-7doiSubjects--Topical Terms:

560451
Nuclear magnetic resonance spectroscopy.

LC Class. No.: QD96.N8

Dewey Class. No.: 543.0877

Optimising NMR spectroscopy through method and software development
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505 0 $a NMR Theory -- Pure Shift -- NMR -- POISE -- NOAH.
520 $a This book provides a comprehensive overview of Nuclear Magnetic Resonance (NMR) theory, its applications, and advanced techniques to improve the quality and speed of NMR data acquisition. In this book, the author expands his outstanding Ph.D. thesis and provides a valuable resource for researchers, professionals, and students in the field of NMR spectroscopy. The book covers quantum mechanics basics, and topics like density operators, pulse sequences, 1D pulse acquisition, INEPT (Insensitive nuclei enhancement by polarization transfer), product operators, and 2D NMR principles. It also explores innovative experiments like States HSQC (Heteronuclear Single Quantum Coherence) and echo-antiecho HSQC with gradients. In the subsequent chapters, the author discusses Pure Shift NMR, including PSYCHE (Pure Shift Yielded by Chirp Excitation) and its optimizations, such as waveform parameterization and time-reversal methods. The 'Discrete PSYCHE' approach and Ultrafast PSYCHE-iDOSY (Diffusion-ordered spectroscopy) are also highlighted. This book presents the POISE (Parameter Optimisation by Iterative Spectral Evaluation) software for real-time NMR experiment optimization, including pulse width calibration and Ernst angle optimization, and demonstrates applications across various NMR experiments. Lastly, the book examines accelerated 2D NMR data collection and the NOAH (NMR by Ordered Acquisition using 1H detection) supersequences, emphasizing automated pulse program creation using GENESIS (GENEration of Supersequences In Silico) Covered NMR experiments include 13C sensitivity-enhanced HSQC, 15N HMQC (Heteronuclear Multiple Quantum Coherence), dual HSQC, HSQC-TOCSY (Total Correlation Spectroscopy), HMBC (Heteronuclear Multiple Bond Correlation), and ADEQUATE (Adequate Sensitivity Double-Quantum Spectroscopy)
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