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Author: Stella Slad Publisher: GRIN Verlag ISBN: 3346714144 Category : Science Languages : en Pages : 88
Book Description
Master's Thesis from the year 2019 in the subject Chemistry - Analytical Chemistry, grade: 1,0, Karlsruhe Institute of Technology (KIT), language: English, abstract: Pulse engineering plays an important role in high-resolution NMR spectroscopy because the performance of existing pulses depends on experimental parameters like bandwidth or magnetic field inhomonegeities. The GRAPE optimization algorithm can be used to find the best pulse for a given set of parameters. This method has been used to design band-selective pulses, robust broadband excitation and inversion pulses and various universal rotation pulses. The first part of this work is an extension of the systematic studies on broadband pulses. This time the GRAPE algorithm is used to design broadband 30° and 60° excitation pulses as well as universal rotation pulses with the same flip angles. Correlations between the best achievable quality factor and pulse duration have been measured for different bandwidths and degrees of rf-inhomogeneity tolerance. Minimum pulse durations for a given quality factor have been evaluated and compared to studies of 90° and 180° pulses. The obtained pulse shapes are similar to previously published point-to-point and universal rotation pulses optimized with this method. The second part of this work is concerned with the design of ultra-broadband 19F-CMPG and 19F-PROJECT pulse sequences that could be used for ligand-based binding studies. The best CPMG sequence was a combination of a BURBOP-90 pulse with a BURBOP-180 pulse. For PROJECT, the best results were achieved using the same 90° pulse and a pair of BIBOP pulses instead of a universal rotation pulse. Simulations showed that the PROJECT sequence performs significantly better than the CPMG sequence in the presence of fluorine-fluorine couplings.
Author: Stella Slad Publisher: GRIN Verlag ISBN: 3346714144 Category : Science Languages : en Pages : 88
Book Description
Master's Thesis from the year 2019 in the subject Chemistry - Analytical Chemistry, grade: 1,0, Karlsruhe Institute of Technology (KIT), language: English, abstract: Pulse engineering plays an important role in high-resolution NMR spectroscopy because the performance of existing pulses depends on experimental parameters like bandwidth or magnetic field inhomonegeities. The GRAPE optimization algorithm can be used to find the best pulse for a given set of parameters. This method has been used to design band-selective pulses, robust broadband excitation and inversion pulses and various universal rotation pulses. The first part of this work is an extension of the systematic studies on broadband pulses. This time the GRAPE algorithm is used to design broadband 30° and 60° excitation pulses as well as universal rotation pulses with the same flip angles. Correlations between the best achievable quality factor and pulse duration have been measured for different bandwidths and degrees of rf-inhomogeneity tolerance. Minimum pulse durations for a given quality factor have been evaluated and compared to studies of 90° and 180° pulses. The obtained pulse shapes are similar to previously published point-to-point and universal rotation pulses optimized with this method. The second part of this work is concerned with the design of ultra-broadband 19F-CMPG and 19F-PROJECT pulse sequences that could be used for ligand-based binding studies. The best CPMG sequence was a combination of a BURBOP-90 pulse with a BURBOP-180 pulse. For PROJECT, the best results were achieved using the same 90° pulse and a pair of BIBOP pulses instead of a universal rotation pulse. Simulations showed that the PROJECT sequence performs significantly better than the CPMG sequence in the presence of fluorine-fluorine couplings.
Author: Jonathan Yong Publisher: Springer Nature ISBN: 3031466845 Category : Science Languages : en Pages : 307
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).
Author: Graham A. Webb Publisher: Elsevier ISBN: 0080890555 Category : Science Languages : en Pages : 191
Book Description
Nuclear magnetic resonance (NMR) is an analytical tool used by chemists and physicists to study the structure and dynamics of molecules. In recent years, no other technique has gained such significance as NMR spectroscopy. It is used in all branches of science in which precise structural determination is required and in which the nature of interactions and reactions in solution is being studied. Annual Reports on NMR Spectroscopy has established itself as a premier means for the specialist and non-specialist alike to become familiar with new techniques and applications of NMR spectroscopy. - Provides updates on the latest developments in NMR spectroscopy - Includes comprehensive review articles - Highlights the increasing importance of NMR spectroscopy as a technique for structural determination
Author: Publisher: Academic Press ISBN: 0128209720 Category : Science Languages : en Pages : 378
Book Description
Annual Reports on NMR Spectroscopy, Volume 100, is a premier resource for both specialists and non-specialists who are looking to become familiar with new techniques and applications in NMR spectroscopy. Chapters in this new release cover In Operando NMR Studies, Recent Developments in Automotive Differential Analysis of NMR Results, Applications of SIMPSON to NMR Studies of Peptides and Proteins, Recent Developments in NMR Line Shape Analysis, and more.
Author: Robin A. de Graaf Publisher: John Wiley & Sons ISBN: 1118681304 Category : Science Languages : en Pages : 563
Book Description
This is the second edition of a unique book in the field of in vivo NMR covering in detail the technical and biophysical aspects of the technique. The contents of the book are appropriate to both beginners and experienced users of in vivo NMR spectroscopy. The new edition is focussed on bringing the reader practical insights and advice, but is also geared towards use as a study aid and in NMR courses. Recent advances in NMR spectroscopy, like high field NMR, hyperpolarized NMR and new localization and editing techniques have been included. An extensive and updated treatment of radiofrequency pulses is given, together with several tables and recipes for their generation. Solutions to the exercises within this text can be found here
Author: Publisher: Academic Press ISBN: 0128032251 Category : Science Languages : en Pages : 3716
Book Description
This third edition of the Encyclopedia of Spectroscopy and Spectrometry, Three Volume Set provides authoritative and comprehensive coverage of all aspects of spectroscopy and closely related subjects that use the same fundamental principles, including mass spectrometry, imaging techniques and applications. It includes the history, theoretical background, details of instrumentation and technology, and current applications of the key areas of spectroscopy. The new edition will include over 80 new articles across the field. These will complement those from the previous edition, which have been brought up-to-date to reflect the latest trends in the field. Coverage in the third edition includes: Atomic spectroscopy Electronic spectroscopy Fundamentals in spectroscopy High-Energy spectroscopy Magnetic resonance Mass spectrometry Spatially-resolved spectroscopic analysis Vibrational, rotational and Raman spectroscopies The new edition is aimed at professional scientists seeking to familiarize themselves with particular topics quickly and easily. This major reference work continues to be clear and accessible and focus on the fundamental principles, techniques and applications of spectroscopy and spectrometry. Incorporates more than 150 color figures, 5,000 references, and 300 articles for a thorough examination of the field Highlights new research and promotes innovation in applied areas ranging from food science and forensics to biomedicine and health Presents a one-stop resource for quick access to answers and an in-depth examination of topics in the spectroscopy and spectrometry arenas
Author: John Cavanagh Publisher: Elsevier ISBN: 008047103X Category : Science Languages : en Pages : 915
Book Description
Protein NMR Spectroscopy, Second Edition combines a comprehensive theoretical treatment of NMR spectroscopy with an extensive exposition of the experimental techniques applicable to proteins and other biological macromolecules in solution. Beginning with simple theoretical models and experimental techniques, the book develops the complete repertoire of theoretical principles and experimental techniques necessary for understanding and implementing the most sophisticated NMR experiments. Important new techniques and applications of NMR spectroscopy have emerged since the first edition of this extremely successful book was published in 1996. This updated version includes new sections describing measurement and use of residual dipolar coupling constants for structure determination, TROSY and deuterium labeling for application to large macromolecules, and experimental techniques for characterizing conformational dynamics. In addition, the treatments of instrumentation and signal acquisition, field gradients, multidimensional spectroscopy, and structure calculation are updated and enhanced. The book is written as a graduate-level textbook and will be of interest to biochemists, chemists, biophysicists, and structural biologists who utilize NMR spectroscopy or wish to understand the latest developments in this field. - Provides an understanding of the theoretical principles important for biological NMR spectroscopy - Demonstrates how to implement, optimize and troubleshoot modern multi-dimensional NMR experiments - Allows for the capability of designing effective experimental protocols for investigations of protein structures and dynamics - Includes a comprehensive set of example NMR spectra of ubiquitin provides a reference for validation of experimental methods
Author: The Nuclear Magnetic Resonance Society of Japan Publisher: Springer ISBN: 9811059667 Category : Science Languages : en Pages : 634
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.
Author: S.K. Sarkar Publisher: Elsevier ISBN: 0080537596 Category : Science Languages : en Pages : 407
Book Description
NMR has become the most diverse spectroscopic tool available to date in biomedical research. It is now routinely used to study biomolecular structure and dynamics particularly as a result of recent developments of a cascade of highly sophisticated multidimensional NMR pulse sequences, and of advances in genetic engineering to produce biomolecules, uniformly or selectively enriched with 13C, 15N and 2H.Features of this book:• Provides an up-to-date treatment of NMR techniques and their application to problems of biomedical interest• Most refined multidimensional pulse sequences including the basic aspects are covered by leading NMR spectroscopists.The book will be useful to NMR spectroscopists, biochemists, and to molecular biologists interested in the use of NMR techniques for solving biological problems.
Author: Stella Slad
Author: Stella Slad
Author: Jonathan Yong
Author: Graham A. Webb
Author: 
Author: Robin A. de Graaf
Author: 
Author: Robert Shull Haxo
Author: John Cavanagh
Author: The Nuclear Magnetic Resonance Society of Japan
Author: S.K. Sarkar