Time-resolved Multidimensional NMR Spectroscopy with Non Uniform Sampling

Time-resolved Multidimensional NMR Spectroscopy with Non Uniform Sampling PDF Author: Rupashree Dass
Publisher:
ISBN:
Category :
Languages : en
Pages : 104

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Book Description
Dotyczy: Time-resolved multidimensional NMR spectroscopy with Non Uniform Sampling.

Time-resolved Multidimensional NMR Spectroscopy with Non Uniform Sampling

Time-resolved Multidimensional NMR Spectroscopy with Non Uniform Sampling PDF Author: Rupashree Dass
Publisher:
ISBN:
Category :
Languages : en
Pages : 104

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Book Description
Dotyczy: Time-resolved multidimensional NMR spectroscopy with Non Uniform Sampling.

Novel Sampling Approaches in Higher Dimensional NMR

Novel Sampling Approaches in Higher Dimensional NMR PDF Author: Martin Billeter
Publisher: Springer Science & Business Media
ISBN: 3642271596
Category : Science
Languages : en
Pages : 166

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Book Description
Concepts in Projection-Reconstruction, by Ray Freeman and Ēriks Kupče.- Automated Projection Spectroscopy and Its Applications, by Sebastian Hiller and Gerhard Wider.- Data Sampling in Multidimensional NMR: Fundamentals and Strategies, by Mark W. Maciejewski, Mehdi Mobli, Adam D. Schuyler, Alan S. Stern and Jeffrey C. Hoch.- Generalized Fourier Transform for Non-Uniform Sampled Data, by Krzysztof Kazimierczuk, Maria Misiak, Jan Stanek, Anna Zawadzka-Kazimierczuk and Wiktor Koźmiński.- Applications of Non-Uniform Sampling and Processing, by Sven G. Hyberts, Haribabu Arthanari and Gerhard Wagner

Computational Approaches for Assessing Spectral Quality in NMR Spectroscopy

Computational Approaches for Assessing Spectral Quality in NMR Spectroscopy PDF Author: Matthew Zambrello
Publisher:
ISBN:
Category :
Languages : en
Pages : 0

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Book Description
Nuclear magnetic resonance spectroscopy is a powerful biophysical technique for characterizing biological macromolecules including determination of three-dimensional structure, dynamics, and ligand interactions. The advent of multidimensional NMR spectroscopy facilitated a surge of structural and dynamical investigations of biological macromolecules by yielding unmatched gains in resolution. Indeed, the biological applications of NMR depend on acquiring the best possible spectra with desirable features such as high signal-to-noise ratio and high resolution. Because such spectra must be obtainable in reasonable time frames, practical limitations, in particular prohibitive multidimensional experiment times, have restricted implementation of NMR spectroscopy for certain biological problems. To address this problem, numerous data acquisition and signal processing strategies have been developed. To reduce the burden of experiment duration, nonuniform sampling can be used for collection of higher dimensionality experiments in shorter time frames and also permits acquisition of longer evolution times along indirect dimensions to achieve higher resolution spectra. However, data acquired according to nonuniform sampling strategies is not amenable to conventional data processing techniques, namely the Fourier Transform and therefore non-Fourier methods are increasingly relied upon due to their ability to handle such data. The relative prowess of these novel techniques and data processing algorithms have yet to be compared in a systematic fashion. Part of the difficulty is that non-Fourier methods present unique challenges due to their nonlinearity, which can produce nonrandom noise and render conventional metrics for spectral quality such as signal-to-noise ratio unreliable. The in situ receiver operating characteristic analysis (IROC) is a workflow for making comparisons between NMR data acquisition strategies and processing algorithms that circumvents the traditional difficulties of spectral comparison. IROC analysis is based on the Receiver Operating Characteristic curve and utilizes synthetic signals added to empirical data and yields several robust quantitative metrics for spectral quality. In this work, the theoretical development, underlying algorithm, and practical potential of IROC analysis are first presented to show its ability to make quantitative comparisons of spectral quality in situations were other metrics fail. The IROC method is subsequently applied to experimental data to quantify the sensitivity and resolution that can be achieved through various nonuniform sampling schemes that each have different properties.

Fast NMR Data Acquisition

Fast NMR Data Acquisition PDF Author: Mehdi Mobli
Publisher: Royal Society of Chemistry
ISBN: 1849736197
Category : Science
Languages : en
Pages : 325

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Book Description
Providing a definitive reference source on novel methods in NMR acquisition and processing, this book will highlight similarities and differences between emerging approaches and focus on identifying which methods are best suited for different applications. The highly qualified editors have conducted extensive research into the fundamentals of fast methods of data acquisition in NMR, including applications of non-Fourier methods of spectrum analysis. With contributions from additional distinguished experts in allied fields, clear explanations are provided on methods that speed up NMR experiments using different ways to manipulate the nuclei in the sample, modern methods for estimating the spectrum from the time domain response recorded during an NMR experiment, and finally how the data is sampled. Starting with a historical overview of Fourier Transformation and its role in modern NMR spectroscopy, this volume will clarify and demystify this important emerging field for spectroscopists and analytical chemists in industry and academia.

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.

Annual Reports on NMR Spectroscopy

Annual Reports on NMR Spectroscopy PDF Author:
Publisher: Elsevier
ISBN: 0443295794
Category : Science
Languages : en
Pages : 208

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Book Description
Annual Reports on NMR Spectroscopy, Volume 111 presents the latest release in a series that has established itself as a premier resource for both specialists and non-specialists interested in new techniques and applications pertaining to NMR spectroscopy. Chapters in this new release include Electrophoretic NMR, Traceability and uncertainty in NMR measurements, Quantitative NMR Spectroscopy, Advances in Non-Uniform Sampling NMR, NMR spectroscopy of natural and synthetic fibers, Characterization of transition alkane complexes, and Recent applications of low field NMR to membrane science. Serves as the premier resource for learning new techniques and applications in NMR spectroscopy Provides a key reference for chemists and physicists using NMR spectroscopy to study the structure and dynamics of molecules Covers all aspects of molecular science, including MRI (Magnetic Resonance Imaging)

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.

Fast 2D Solution-state NMR

Fast 2D Solution-state NMR PDF Author: Dr Jean-Nicolas Dumez
Publisher: Royal Society of Chemistry
ISBN: 183916400X
Category : Science
Languages : en
Pages : 560

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Book Description
Written by active investigators in the field, this book describes state-of-the-art methods that can accelerate the acquisition of 2D NMR spectra in solution-state NMR. The acquisition of fast multi-dimensional NMR data has motivated numerous ground-breaking developments in NMR pulse sequences and associated data processing methods. These in turn have revolutionized the way 2D NMR acquisitions are performed, at the same time broadening the scope of applications of 2D NMR. The first part of the book provides an in-depth description of the concepts and implementation of major fast 2D NMR methods. The second part follows with illustrations of how such methods can be used in applications that require the acquisition of fast 2D NMR spectra, from reaction monitoring to hyperpolarization, including applications to a broad variety of samples and experimental conditions. Appealing to readers from both the methodology and applications communities, this title will fill a gap in the market for a book focused on small molecule NMR, and researchers from both academia and industry will find a rich plethora of knowledge.

In-Cell NMR Spectroscopy

In-Cell NMR Spectroscopy PDF Author: Alexander Shekhtman
Publisher: MDPI
ISBN: 3039282549
Category : Science
Languages : en
Pages : 152

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Book Description
This Special Issue examines state-of-the-art in-cell NMR spectroscopy as it relates to biological systems of increasing complexity. The compendia of research and recent innovations from prominent laboratories in the field of solid state and solution in-cell NMR spectroscopy, metabolomics and technology development are presented. The work establishes in-cell NMR spectroscopy as the premier method for determining the structures and interaction capabilities of biological molecules at high resolution within the delicately intricate interior of living cells, and the means of utilizing cells as living laboratories to directly assess the effects of exogenous and endogenous stimuli on cell physiology.]

Advances in Protein Molecular and Structural Biology Methods

Advances in Protein Molecular and Structural Biology Methods PDF Author: Timir Tripathi
Publisher: Academic Press
ISBN: 0323902650
Category : Science
Languages : en
Pages : 716

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Book Description
Advances in Protein Molecular and Structural Biology Methods offers a complete overview of the latest tools and methods applicable to the study of proteins at the molecular and structural level. The book begins with sections exploring tools to optimize recombinant protein expression and biophysical techniques such as fluorescence spectroscopy, NMR, mass spectrometry, cryo-electron microscopy, and X-ray crystallography. It then moves towards computational approaches, considering structural bioinformatics, molecular dynamics simulations, and deep machine learning technologies. The book also covers methods applied to intrinsically disordered proteins (IDPs)followed by chapters on protein interaction networks, protein function, and protein design and engineering. It provides researchers with an extensive toolkit of methods and techniques to draw from when conducting their own experimental work, taking them from foundational concepts to practical application. Presents a thorough overview of the latest and emerging methods and technologies for protein study Explores biophysical techniques, including nuclear magnetic resonance, X-ray crystallography, and cryo-electron microscopy Includes computational and machine learning methods Features a section dedicated to tools and techniques specific to studying intrinsically disordered proteins