Theoretical Macromolecular Structure Elucidation Using Solid State Nuclear Magnetic Resonance PDF Download
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Author: John Darryle Gehman
Publisher:
ISBN:
Category :
Languages : en
Pages : 722
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Book Description
Author: John Darryle Gehman
Publisher:
ISBN:
Category :
Languages : en
Pages : 722
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Book Description
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.
Author:
Publisher: Academic Press
ISBN: 0080549470
Category : Science
Languages : en
Pages : 670
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Book Description
The critically acclaimed laboratory standard, Methods in Enzymology, is one of the most highly respected publications in the field of biochemistry. Since 1955, each volume has been eagerly awaited, frequently consulted, and praised by researchers and reviewers alike. The series contains much material still relevant today - truly an essential publication for researchers in all fields of life sciences. Nuclear Magnetic Resonance of Biological Macromolecules, Part C is written with a "hands-on" perspective. That is, practical applications with critical evaluations of methodologies and experimental considerations needed to design, execute, and interpret NMR experiments pertinent to biological molecules.* One of the most highly respected publications in the field of biochemistry since 1955 * Frequently consulted, and praised by researchers and reviewers alike * Truly an essential publication for anyone in any field of the life sciences
Author:
Publisher: Elsevier
ISBN: 008049689X
Category : Science
Languages : en
Pages : 487
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Book Description
This volume and its companion, Volume 338, supplement Volumes 176, 177, 239, and 261. Chapters are written with a "hands-on" perspective. That is, practical applications with critical evaluations of methodologies and experimental considerations needed to design, execute, and interpret NMR experiments pertinent to biological molecules.
Author: Emeline Barbet-Massin
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Book Description
Solid-state NMR has recently emerged as a key technique in modern structural biology, by providing information at atomic level for the characterization of a wide range of systems that cannot be investigated by other atomic-scale methods. There are now well established protocols for sample preparation, resonance assignment and collection of structural restraints, that have paved the way to the first three-dimensional structure determinations at atomic resolution of biomolecules in the solid state, from microcrystalline samples to fibrils and membrane-associated systems. These determinations are however still far from being routine, and larger breakthroughs are expected with further methodological and hardware developments. Accordingly, most of the work presented in this thesis consists of the development of new, sophisticated NMR experiments to improve the sensitivity and resolution of the currently existing schemes for resonance assignment and to extend the capabilities of solid-state NMR in terms of structural investigation of proteins for the analysis of large substrates. These developments notably rely on the use of very high magnetic fields and ultra-fast magic-angle spinning (MAS). We show the great potential of this particular regime, which enables the use of low-power experiments and the acquisition of selective cross-polarization transfers, through-bond correlations and 1H-detected correlations.In particular, we show that homonuclear correlation experiments based on through-bond transfers become competitive alternatives to dipolar transfer schemes. Two new pulse sequences that detect sensitive and resolved 13C-13C through-bond correlations are introduced, which coupled to 15N-13C dipolar transfer steps provide sensitive routes for protein backbone resonance assignment.Furthermore, we demonstrate that narrow 1H NMR line widths can be obtained for fully protonated proteins in the solid state under ultra-fast MAS, even without perdeuteration. In this context, we have developed new strategies for extensive, robust and expeditious assignments of the 1H, 15N, 13CO, 13CA and 13CB resonances of proteins in different aggregation states, and new schemes for the measurements of site-specific 1H-1H distance restraints. This approach relying on the very high sensitivity of 1H spins remarkably accelerates the processes of assignment and structure determination of proteins in the solid state, as shown by the assignment and de novo structure determination of native beta-2-microglobulin. Finally, we apply this new approach to perform resonance assignment and to study structural and dynamic features of three complex protein aggregates: amyloid fibrils formed by native and D76N beta-2-microglobulin, Acinetobacter phage 205 nucleocapsids and measles virus (MeV) nucleocapsids. We also used Dynamic Nuclear Polarization to obtain the first information about RNA in MeV nucleocapsids.We believe that the results presented in this thesis represent a substantial step forward for solid-state NMR in structural biology. With all the current advances in the field, the impact of biomolecular solid-state NMR is likely to increase in the next years.
Author: D. Krishnarao
Publisher: Nova Science Publishers
ISBN: 9781631177682
Category : Nuclear magnetic resonance
Languages : en
Pages : 0
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Book Description
This book is mainly focused on basic concepts and different applications of NMR from the small molecules to biological macromolecules. This book was made with contributions from different authors all over the world who are working on different aspects of science with the common tool of NMR. Different types of NMR methods used to analyse the structures of small molecules and proteins and the complete story of how one can solve the structure of the new drug molecule are explained. A review on NMR structural and dynamical aspects of the death domain super family proteins, and the metabolic profile and quantification of metabolites in PGI cherry tomatoes using solid state NMR are explained. Also, the usefulness of Proton Nuclear Magnetic Resonance (1H NMR) spectroscopy in the study of edible oils and fats, and of food lipids in general, from both qualitative and quantitative points of view is mentioned.
Author: Casper Rønn Hoeck
Publisher: Springer
ISBN: 3319961721
Category : Science
Languages : en
Pages : 271
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Book Description
This book explores how nuclear magnetic resonance (NMR) spectroscopy may be used for spatial structural elucidation of novel compounds from fungal and synthetic sources. Readers will discover the exciting world of NOE (nuclear Overhauser effect), RDC (residual dipolar coupling) and J-coupling constants, both short- and long range. With emphasis on obtaining structural knowledge from these NMR observables, focus is moved from solving a static 3D structure to solving the structural space inhabited by small organic molecules. The book outlines the development and implementation of two Heteronuclear Multiple Bond Correlation-type NMR experiments, and the 3D structural elucidation of multiple known and novel compounds. In addition, a new method of back-calculating RDCs (allowing for more flexible structures to be investigated), and the synthesis and evaluation of novel chiral alignment media for ab initio determination of absolute stereochemistry of small molecules using RDCs are also included. Challenges that 3D structural generation of small compounds face are also covered in this work.
Author: Bernhard Blümich
Publisher: Springer
ISBN: 9783540573999
Category : Science
Languages : en
Pages : 232
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Book Description
Solid-State NMR is a branch of Nuclear Magnetic Resonance which is presently experiencing a phase of strongly increasing popularity. The most striking evidence is the large number of contributions from Solid-State Resonance atNMR meetings, approaching that ofliquid state resonance. Important progress can be observed in three areas: Methodological developments, applications to inorganic matter, and applications to organic matter. These developments are intented to be captured in three volumes in this series, each of them being devoted to more or less one of these areas. The present volume on Solid-State NMR III is devoted mainly to organic matter. The recent developments of deuteron NMR and their applications are reviewed in the first chapter. Crosspolarization, MAS, and dynamic angle spinning are being explored for enhancement of information and sensitivity. In addition to the analysis of classical relaxation times and modern 2D spectra, detailed dynamic information becomes accessible from investigations of the relaxation time anisotropies. The second chapter examines cross-polarization in static and rotating solids under conditions of spin diffusion and thermal motion. The underlying dipole-dipole interaction is further exploited by the techniques described in the third chapter for studies of polymer-polymer miscibility. Short range techniques are discriminated from long-range techniques based on spin diffusion. The use ofthese techniques is illustrated by a case study ofPMMAJPVF blends. The last chapter addresses novel z methods and applications of two-dimensional exchange NMR for investigations of relative molecular orientations, polymer morphology, molecular dynamics, and macroscopic molecular order.
Author: R. Born
Publisher: Springer Science & Business Media
ISBN: 364260644X
Category : Technology & Engineering
Languages : en
Pages : 132
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Book Description
In NMR, it is well-known that the chemical shift conveys structural informa tion, e. g. a carbonyl carbon will have a resonance frequency appreciably dif ferent from a methyl carbon, etc. The relation between structure and chemical shift is mostly established by empirical rules on the basis of prior experience. It is only quite recently that the advent of both comparatively cheap comput ing power and novel quantum chemistry approaches have provided feasible routes to calculate the chemical shift at the ab initio level for molecules of reasonable size. This raises the question whether application of these novel theoretical concepts offers a means of obtaining new structural information for the complex chain molecules one deals with in polymer science. Solid state 13C-NMR spectra of glassy amorphous polymers display broad, partially structured resonance regions that reflect the underlying disorder of the polymer chains. The chemical shift responds to the variation of the ge ometry of the chain, and the broad resonance regions can be explained by an inhomogeneous superposition of various chain geometries (and thus chem ical shifts). In this review, we present a novel approach to combine polymer chain statistical models, quantum chemistry and solid state NMR to pro vide quantitative information about the local chain geometry in amorphous polymers. The statistical model yields the relative occurrence of the various geometries, and quantum chemistry (together with a force field geometry op timization) establishes the link between geometry and chemical shift.
Author: Melinda J. Duer
Publisher: John Wiley & Sons
ISBN: 0470999381
Category : Science
Languages : en
Pages : 592
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Book Description
This book is for those familiar with solution-state NMR who are encountering solid-state NMR for the first time. It presents the current understanding and applications of solid-state NMR with a rigorous but readable approach, making it easy for someone who merely wishes to gain an overall impression of the subject without details. This dual requirement is met through careful construction of the material within each chapter. The book is divided into two parts: "Fundamentals" and "Further Applications." The section on Fundamentals contains relatively long chapters that deal with the basic theory and practice of solid-state NMR. The essential differences and extra scope of solid-state NMR over solution-state is dealt with in an introductory chapter. The basic techniques that all chapters rely on are collected into a second chapter to avoid unnecessary repetition later. Remaining chapters in the "Fundamentals" part deal with the major areas of solid-state NMR which all solid-state NMR spectroscopists should know about. Each begins with an overview of the topic that puts the chapter in context. The basic principles upon which the techniques in the chapter rely are explained in a separate section. Each of these chapters exemplifies the principles and techniques with the applications most commonly found in current practice. The "Further Applications" section contains a series of shorter chapters which describe the NMR techniques used in other, more specific areas. The basic principles upon which these techniques rely will be expounded only if not already in the Fundamentals part.
