Optimising NMR Spectroscopy Through Method and Software Development

Optimising NMR Spectroscopy Through Method and Software Development PDF Author: Jonathan Yong
Publisher: Springer Nature
ISBN: 3031466845
Category : Science
Languages : en
Pages : 307

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Book Description
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).

Optimising NMR Spectroscopy Through Method and Software Development

Optimising NMR Spectroscopy Through Method and Software Development PDF Author: Jonathan Yong
Publisher: Springer Nature
ISBN: 3031466845
Category : Science
Languages : en
Pages : 307

Get Book Here

Book Description
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).

Biological NMR Spectroscopy

Biological NMR Spectroscopy PDF Author: John L. Markley
Publisher: Oxford University Press
ISBN: 0195357426
Category : Science
Languages : en
Pages : 375

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Book Description
This book presents a critical assessment of progress on the use of nuclear magnetic resonance spectroscopy to determine the structure of proteins, including brief reviews of the history of the field along with coverage of current clinical and in vivo applications. The book, in honor of Oleg Jardetsky, one of the pioneers of the field, is edited by two of the most highly respected investigators using NMR, and features contributions by most of the leading workers in the field. It will be valued as a landmark publication that presents the state-of-the-art perspectives regarding one of today's most important technologies.

Biocatalytic Process Optimization

Biocatalytic Process Optimization PDF Author: Chia-Hung Kuo
Publisher: MDPI
ISBN: 3039439154
Category : Science
Languages : en
Pages : 296

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Book Description
Biocatalysis is very appealing to the industry because it allows, in principle, the synthesis of products not accessible by chemical synthesis. Enzymes are very effective, as are precise biocatalysts, as they are enantioselective, with mild reaction conditions and green chemistry. Biocatalysis is currently widely used in the pharmaceutical industry, food industry, cosmetic industry, and textile industry. This includes enzyme production, biocatalytic process development, biotransformation, enzyme engineering, immobilization, the synthesis of fine chemicals and the recycling of biocatalysts. One of the most challenging problems in biocatalysis applications is process optimization. This Special Issue shows that an optimized biocatalysis process can provide an environmentally friendly, clean, highly efficient, low cost, and renewable process for the synthesis and production of valuable products. With further development and improvements, more biocatalysis processes may be applied in the future.

Optimizing NMR Methods for Structure Elucidation

Optimizing NMR Methods for Structure Elucidation PDF Author: Darcy C Burns
Publisher: Royal Society of Chemistry
ISBN: 1788015355
Category : Science
Languages : en
Pages : 254

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Book Description
This book is aimed at informing organic chemists and natural products chemists on the use of NMR for structure elucidation to enable them to ensure they yield the most reliable possible data in the minimum possible time. It covers the latest pulse sequences, acquisition and processing methods, practical areas not covered in most texts e.g. detailed consideration of the relative advantages and disadvantages of different pulse sequences, choosing acquisition and processing parameters to get the best possible data in the least possible time, pitfalls to avoid and how to minimize the risks of getting wrong structures. Useful in industrial, pharma or research environments, this reference book is for anyone involved with organic chemistry research and, in particular, natural products research requiring advice for getting the best results from the NMR facilities.

Optimization Methods, Theory and Applications

Optimization Methods, Theory and Applications PDF Author: Honglei Xu
Publisher: Springer
ISBN: 3662470446
Category : Mathematics
Languages : en
Pages : 212

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Book Description
This book presents the latest research findings and state-of-the-art solutions on optimization techniques and provides new research direction and developments. Both the theoretical and practical aspects of the book will be much beneficial to experts and students in optimization and operation research community. It selects high quality papers from The International Conference on Optimization: Techniques and Applications (ICOTA2013). The conference is an official conference series of POP (The Pacific Optimization Research Activity Group; there are over 500 active members). These state-of-the-art works in this book authored by recognized experts will make contributions to the development of optimization with its applications.

NMR-based Metabolomics

NMR-based Metabolomics PDF Author: Hector C Keun
Publisher: Royal Society of Chemistry
ISBN: 184973643X
Category : Medical
Languages : en
Pages : 384

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Book Description
This book describes the state of the art in the application of NMR spectroscopy to metabolomics and will be a key title for researchers and practitioners.

Solving Problems with NMR Spectroscopy

Solving Problems with NMR Spectroscopy PDF Author: Atta-ur Rahman
Publisher: Elsevier
ISBN: 0080541496
Category : Science
Languages : en
Pages : 447

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Book Description
Solving Problems with NMR Spectroscopy presents the basic principles and applications of NMR spectroscopy with only as much math as is necessary. It shows how to solve chemical structures with NMR by giving clear examples and solutions. This text will enable organic chemistry students to choose the most appropriate NMR techniques to solve specific structures. The problems to work and the discussion of their solutions and interpretations will help readers becomeproficient in the application of important, modern 1D and 2D NMR techniques to structural studies.Key Features* Presents the most important NMR techniques for structural determinations* Offers a unique problem-solving approach* Uses questions and problems, including discussions of their solutions and interpretations, to help readers grasp NMR* Avoids extensive mathematical formulas* Forewords by Nobel Prize winner Richard R. Ernst and Lloyd M. Jackman

Experimental Approaches of NMR Spectroscopy

Experimental Approaches of NMR Spectroscopy PDF Author: The Nuclear Magnetic Resonance Society of Japan
Publisher: Springer
ISBN: 9811059667
Category : Science
Languages : en
Pages : 634

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Book Description
This book describes the advanced developments in methodology and applications of NMR spectroscopy to life science and materials science. Experts who are leaders in the development of new methods and applications of life and material sciences have contributed an exciting range of topics that cover recent advances in structural determination of biological and material molecules, dynamic aspects of biological and material molecules, and development of novel NMR techniques, including resolution and sensitivity enhancement. First, this book particularly emphasizes the experimental details for new researchers to use NMR spectroscopy and pick up the potentials of NMR spectroscopy. Second, the book is designed for those who are involved in either developing the technique or expanding the NMR application fields by applying them to specific samples. Third, the Nuclear Magnetic Resonance Society of Japan has organized this book not only for NMR members of Japan but also for readers worldwide who are interested in using NMR spectroscopy extensively.

Encyclopedia of Optimization

Encyclopedia of Optimization PDF Author: Christodoulos A. Floudas
Publisher: Springer Science & Business Media
ISBN: 0387747583
Category : Mathematics
Languages : en
Pages : 4646

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Book Description
The goal of the Encyclopedia of Optimization is to introduce the reader to a complete set of topics that show the spectrum of research, the richness of ideas, and the breadth of applications that has come from this field. The second edition builds on the success of the former edition with more than 150 completely new entries, designed to ensure that the reference addresses recent areas where optimization theories and techniques have advanced. Particularly heavy attention resulted in health science and transportation, with entries such as "Algorithms for Genomics", "Optimization and Radiotherapy Treatment Design", and "Crew Scheduling".

Scientific and Technical Aerospace Reports

Scientific and Technical Aerospace Reports PDF Author:
Publisher:
ISBN:
Category : Aeronautics
Languages : en
Pages : 702

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Book Description