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Optimising NMR Spectroscopy Through Method and Software Development

E-BookPDF1 - PDF WatermarkE-Book
282 Seiten
Englisch
Springer International Publishingerschienen am10.02.20241st ed. 2024
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).






Dr Jonathan Yong obtained his MSc (2018) and PhD (2023) from the University of Oxford, UK. Under the supervision of Prof. Tim Claridge and Dr Mohammadali Foroozandeh, his graduate research revolved around techniques for accelerating and optimising solution-state nuclear magnetic resonance (NMR) spectroscopy, with a significant focus on software engineering. Jonathan is presently working as a Research Data Scientist at The Alan Turing Institute. Beyond his science and programming pursuits, he derives much joy from the works of Jane Austen, from which the chapter epigraphs of this thesis were taken.
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E-BookPDF1 - PDF WatermarkE-Book
EUR213,99

Produkt

KlappentextThis 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).






Dr Jonathan Yong obtained his MSc (2018) and PhD (2023) from the University of Oxford, UK. Under the supervision of Prof. Tim Claridge and Dr Mohammadali Foroozandeh, his graduate research revolved around techniques for accelerating and optimising solution-state nuclear magnetic resonance (NMR) spectroscopy, with a significant focus on software engineering. Jonathan is presently working as a Research Data Scientist at The Alan Turing Institute. Beyond his science and programming pursuits, he derives much joy from the works of Jane Austen, from which the chapter epigraphs of this thesis were taken.
Details
Weitere ISBN/GTIN9783031466847
ProduktartE-Book
EinbandartE-Book
FormatPDF
Format Hinweis1 - PDF Watermark
FormatE107
Erscheinungsjahr2024
Erscheinungsdatum10.02.2024
Auflage1st ed. 2024
Seiten282 Seiten
SpracheEnglisch
IllustrationenXXXV, 282 p. 173 illus., 131 illus. in color.
Artikel-Nr.13415679
Rubriken
Genre9200

Inhalt/Kritik

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

Autor

Dr Jonathan Yong obtained his MSc (2018) and PhD (2023) from the University of Oxford, UK. Under the supervision of Prof. Tim Claridge and Dr Mohammadali Foroozandeh, his graduate research revolved around techniques for accelerating and optimising solution-state nuclear magnetic resonance (NMR) spectroscopy, with a significant focus on software engineering. Jonathan is presently working as a Research Data Scientist at The Alan Turing Institute. Beyond his science and programming pursuits, he derives much joy from the works of Jane Austen, from which the chapter epigraphs of this thesis were taken.
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Yong, Jonathan