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NMR of Paramagnetic Molecules

NMR of Paramagnetic Molecules Book
Author : Ivano Bertini,Claudio Luchinat,Giacomo Parigi,Enrico Ravera
Publisher : Elsevier
Release : 2016-09-15
ISBN : 0444634487
Language : En, Es, Fr & De

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Book Description :

NMR of Paramagnetic Molecules: Applications to Metallobiomolecules and Models, Second Edition is a self-contained, comprehensive reference for chemists, physicists, and life scientists whose research involves analyzing paramagnetic compounds. Since the previous edition of this book was published, there have been many advancements in the field of paramagnetic NMR spectroscopy. This completely updated and expanded edition contains the latest fundamental theory and methods for mastery of this analytical technique. Users will learn how to interpret the NMR spectra of paramagnetic molecules, improve experimental techniques, and strengthen their understanding of the underlying theory and applications. Reflects all advances in the field in a completely updated new edition Presents new material on self-orientation residual dipolar couplings, solid state NMR, dynamic nuclear polarization, and paramagnetic restraints for structure calculations Includes information relevant to paramagnetic molecules, metallobiomolecules, paramagnetic compounds, and paramagnetic NMR spectroscopy Presents specific examples of paramagnetic inorganic species and experimental techniques for structure characterization

NMR of Paramagnetic Molecules

NMR of Paramagnetic Molecules Book
Author : G. N. La Mar,W. Dew. Horrocks,R. H. Holm
Publisher : Elsevier
Release : 2016-01-22
ISBN : 1483272451
Language : En, Es, Fr & De

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Book Description :

NMR of Paramagnetic Molecules: Principles and Applications is a compendium of papers that discusses the physical principles behind the technique of nuclear magnetic resonance, as well as, evaluates the scope and limitation of the applications of NMR in chemistry and biology. These papers emphasize the applications of the technique in chemistry and biochemistry where it widely used, particularlyon NMR experiments in the liquid state. Some papers describe the theoretical factors governing the resonance position and linewidth, and then also interpret magnetic resonance parameters in terms of electronic structure. Another paper investigates the gap between the mathematical complexities of earlier experiments and the operational aspects of chemical information from the spectra. Examples show studies in biochemical molecules and process in events where contact interactions are present either as a result of intrinsic molecular paramagnetism or are just induced through the addition of suitable paramagnetic probes. One paper presents the definitive and controversial results involving stereochemistry and deuterium NMR. This collection of papers will prove useful for nuclear physicists, researchers, and academicians in the field of nuclear physics.

Solution NMR of Paramagnetic Molecules

Solution NMR of Paramagnetic Molecules Book
Author : Ivano Bertini,Claudio Luchinat,Giacomo Parigi
Publisher : Elsevier Science Limited
Release : 2001-07-18
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

NMR is a growing technique which represents a generalized, spread, common tool for spectroscopy and for structural and dynamic investigation. Part of the field of competence of NMR is represented by molecules with unpaired electrons, which are called paramagnetic. The presence of unpaired electrons is at the same time a drawback (negative effect) and a precious source of information about structure and dynamics. New phenomena and effects are described which are due to the high magnetic fields and advances in the methodology. Solution NMR of Paramagnetic Molecules is unique in dealing with these matters. The scope is that of presenting a complete description, which is both rigorous and pictorial, of theory and experiments of NMR of paramagnetic molecules in solution. Pertinent examples are described. From the time dependent behaviour of electrons in the various metal ions including polimetallic systems to the hyperfine-based information, and from NMR experiments to constraints for solution structure determination. The book's major theme is how to perform high resolution NMR experiments and how to obtain structural and dynamic information on paramagnetic metal ion containing systems.

NMR of Paramagnetic Molecules

NMR of Paramagnetic Molecules Book
Author : Lawrence J. Berliner,Jacques Reuben
Publisher : Springer Science & Business Media
Release : 2012-12-06
ISBN : 1461528860
Language : En, Es, Fr & De

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Book Description :

The first of a two volume set, Volume 12 provides a long-awaited compilation of NMR theory to paramagnetic molecules. International experts report the latest developments in NMR methodology as applied to strongly relaxed and shifted resonances, detail the theoretical aspects of paramagnetic shift and relaxation, and discuss the interpretive bases of these molecular properties in relation to the structure and function of various paramagnetic molecules.

NMR of Paramagnetic Molecules in Biological Systems

NMR of Paramagnetic Molecules in Biological Systems Book
Author : Ivano Bertini,Claudio Luchinat
Publisher : Benjamin-Cummings Publishing Company
Release : 1986
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download NMR of Paramagnetic Molecules in Biological Systems book written by Ivano Bertini,Claudio Luchinat, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

NMR of Paramagnetic Molecules

NMR of Paramagnetic Molecules Book
Author : Lawrence J. Berliner,Jacques Reuben
Publisher : Unknown
Release : 1993
ISBN : 9780306443879
Language : En, Es, Fr & De

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Book Description :

Download NMR of Paramagnetic Molecules book written by Lawrence J. Berliner,Jacques Reuben, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

NMR of Paramagnetic Molecules

NMR of Paramagnetic Molecules Book
Author : Lawrence Berliner,Jacques Reuben
Publisher : Springer
Release : 2011-10-12
ISBN : 9781461528876
Language : En, Es, Fr & De

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Book Description :

The first of a two volume set, Volume 12 provides a long-awaited compilation of NMR theory to paramagnetic molecules. International experts report the latest developments in NMR methodology as applied to strongly relaxed and shifted resonances, detail the theoretical aspects of paramagnetic shift and relaxation, and discuss the interpretive bases of these molecular properties in relation to the structure and function of various paramagnetic molecules.

The 1H N M R of Paramagnetic Molecules

The 1H N M R  of Paramagnetic Molecules Book
Author : N. Zarb Adami
Publisher : Unknown
Release : 1975
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download The 1H N M R of Paramagnetic Molecules book written by N. Zarb Adami, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

High resolution Solid state NMR of Paramagnetic Molecules

High resolution Solid state NMR of Paramagnetic Molecules Book
Author : Gwendal Kervern
Publisher : Unknown
Release : 2008
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

This thesis is about high-resolution solid-state NMR of paramagnetic molecules. It exposes new methods to obtain high-resolution NMR spectra of paramagnetic solids. These methods gave us access to the structural information born by the electronic paramagnetism. In the first part, we propose new tools to overcome the difficulties associated with NMR of paramagnetic solids . These methods include proton to carbon magnetization transfer via dipolar recoupling, the use of adiabatic pulses with paramagnetic solids rotating at high MAS speeds, the development of a theory for a better understanding of the physics of such pulses. The second part exposes the interpretation of the high quality spectra obtained throught those methods. We characterized the electronic structure of high-spin iron (II) catalyst, we tackled the absence of the so-called "Curie relaxation" mechanism in the solid-state an we developed a new tool for crystallography thanks to proton NMR of paramagnetic powedrs.

NMR of Paramagnetic Molecules I Determination of Orbital Ground States II The Dynamics and Thermodyanmics of Axial Ligation of Ferric Porphyrins

NMR of Paramagnetic Molecules  I  Determination of Orbital Ground States  II  The Dynamics and Thermodyanmics of Axial Ligation of Ferric Porphyrins Book
Author : James Donald Satterlee
Publisher : Unknown
Release : 1976
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download NMR of Paramagnetic Molecules I Determination of Orbital Ground States II The Dynamics and Thermodyanmics of Axial Ligation of Ferric Porphyrins book written by James Donald Satterlee, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

High Resolution NMR Spectroscopy

High Resolution NMR Spectroscopy Book
Author : Juha Vaara
Publisher : Elsevier Inc. Chapters
Release : 2013-06-08
ISBN : 0128082976
Language : En, Es, Fr & De

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Book Description :

The theory and quantum-chemical calculations of the spectral parameters of nuclear magnetic resonance (NMR) are well established in the case of diamagnetic, closed-shell molecules. In contrast, NMR calculations of paramagnetic, open-shell molecules (pNMR) are scarce, limited by both assumptions within the underlying theoretical background as well as the availability of computational implementations. We discuss the systematic development of pNMR theory that recently culminated in a novel, general and systematic electronic structure approach for the shielding tensor and the associated chemical shift for paramagnetic, open-shell atoms, molecules, and nonmetallic solids. The approach has now been extended for the first time to a higher than doublet spin state as well as arbitrary spatial symmetry. The approach is formulated without reference to spin susceptibility, in contrast to the contemporary experimental procedure and approximate quantum-chemical treatment of axial zero-field splitting. As a result of the systematic procedure, all the temperature-dependent hyperfine shielding terms are generalized and, for example, the leading-order nonrelativistic dipolar term now provides an isotropic chemical shift contribution for species with triplet and higher spin multiplicity. Recent first-principles quantum-chemical calculations of pNMR chemical shifts are reviewed both using the novel theory as well as earlier approaches.

Nuclear Magnetic Resonance NMR of Paramagnetic Molecules

Nuclear Magnetic Resonance  NMR  of Paramagnetic Molecules Book
Author : La Mar GN.
Publisher : Unknown
Release : 1973
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Nuclear Magnetic Resonance NMR of Paramagnetic Molecules book written by La Mar GN., available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Nuclear Magnetic Resonance of Paramagnetic Macromolecules

Nuclear Magnetic Resonance of Paramagnetic Macromolecules Book
Author : G.N. la Mar
Publisher : Springer Science & Business Media
Release : 2013-11-11
ISBN : 9401585733
Language : En, Es, Fr & De

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Book Description :

Since A. Kowalsky's first report of the spectrum of cytochrome c in 1965, interest in the detection, assignment and interpretation of paramagnetic molecules has surged, especially in the last decade. Two classes of systems have played a key role in the development of the field: heme proteins and iron-sulfur proteins. These two systems are unique in many respects, one of which is that they contain well-defined chromophores, each of which can be studied in detail outside the protein matrix. They are the most successfully studied macromolecules, and the first eight and last six of the seventeen contributions to this book deal with heme and/or iron-sulfur proteins. The middle three chapters survey the progress on, and significant promise of, more difficult systems which do not possess a chromophore, but which have nevertheless yielded remarkable insights into their structure.

Solution NMR of Paramagnetic Molecules

Solution NMR of Paramagnetic Molecules Book
Author : Ivano Bertini,Claudio Luchinat,Giacomo Parigi
Publisher : Elsevier
Release : 2001-07-04
ISBN : 9780080541488
Language : En, Es, Fr & De

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Book Description :

NMR is a growing technique which represents a generalized, spread, common tool for spectroscopy and for structural and dynamic investigation. Part of the field of competence of NMR is represented by molecules with unpaired electrons, which are called paramagnetic. The presence of unpaired electrons is at the same time a drawback (negative effect) and a precious source of information about structure and dynamics. New phenomena and effects are described which are due to the high magnetic fields and advances in the methodology. Solution NMR of Paramagnetic Molecules is unique in dealing with these matters. The scope is that of presenting a complete description, which is both rigorous and pictorial, of theory and experiments of NMR of paramagnetic molecules in solution. Pertinent examples are described. From the time dependent behaviour of electrons in the various metal ions including polimetallic systems to the hyperfine-based information, and from NMR experiments to constraints for solution structure determination. The book's major theme is how to perform high resolution NMR experiments and how to obtain structural and dynamic information on paramagnetic metal ion containing systems.

NMR of Paramagnetic Molecules

NMR of Paramagnetic Molecules Book
Author : G. N. La Mar,W. DeW. Horrocks (Jr.),R. H. Holm
Publisher : Unknown
Release : 1973
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download NMR of Paramagnetic Molecules book written by G. N. La Mar,W. DeW. Horrocks (Jr.),R. H. Holm, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Calculation of Magnetic Properties of Paramagnetic Molecules

Calculation of Magnetic Properties of Paramagnetic Molecules Book
Author : Benjamin P. Pritchard
Publisher : Unknown
Release : 2013
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

While calculation of nuclear magnetic resonance (NMR) parameters and spectra areroutinely done for diamagnetic organic compounds, calculation of paramagnetic NMR(PNMR), in particular for compounds containing heavy elements, is at the forefront ofcomputational chemistry. Such calculations are often difficult, due to a variety of issues,including computational cost and extensive relativistic effects that require expensive cal-culations. This thesis outlines the use of DFT in the calculation of NMR and electronparamagnetic resonance (EPR) parameters of such compounds, including analysis of therole of relativistic effects and DFT delocalization error on selected heavy-metal complexes. Methods and code to generate PNMR shifts from calculated EPR data, and new analyticaltools, such as tools to analyze EPR parameters based on localized orbitals and currentdensity, are also discussed. An approach for analyzing spin and magnetization densitiesfrom multi-determinant wavefunction calculations is also outlined.

Applications of NMR Spectroscopy

Applications of NMR Spectroscopy Book
Author : Atta-ur-Rahman,M. Iqbal Choudhary
Publisher : Bentham Science Publishers
Release : 2016-11-22
ISBN : 168108287X
Language : En, Es, Fr & De

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Book Description :

Applications of NMR Spectroscopy is a book series devoted to publishing the latest advances in the applications of nuclear magnetic resonance (NMR) spectroscopy in various fields of organic chemistry, biochemistry, health and agriculture. The fifth volume of the series features several reviews focusing on NMR spectroscopic techniques for identifying natural and synthetic compounds (polymer and peptide characterization, GABA in tinnitus affected mice), medical diagnosis and therapy (gliomas) and food analysis. The spectroscopic methods highlighted in this volume include high resolution proton magnetic resonance spectroscopy and solid state NMR.

The Advantages of Paramagnetic NMR

The Advantages of Paramagnetic NMR Book
Author : Anonim
Publisher : Unknown
Release : 2013
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

There are three distinct effects in nuclear magnetic resonance spectroscopy (NMR) that differ between paramagnetic and diamagnetic molecules in isotropic solution. These are residual dipolar coupling (RDC), pseudocontact shift (PCS) and paramagnetic relaxation enhancement (PRE). All of these effects are dependent on intermolecular angles and distances for a given nucleus of interest and can provide information about the structure and dynamics of a molecule. In order to obtain this valuable information, the molecule is required to display paramagnetic characteristics. One of the up-to-date m...

NMR in Molecular Biology

NMR in Molecular Biology Book
Author : Oleg Jardetzky,G. C. K. Roberts
Publisher : Academic Press
Release : 2013-10-22
ISBN : 148328185X
Language : En, Es, Fr & De

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Book Description :

NMR in Molecular Biology provides an introduction to the basic concepts and principles of nuclear magnetic resonance (NMR) that are essential to a critical evaluation of experimental data. It also aims to acquaint readers in some detail with those prototype experiments in which a definite, biologically relevant answer has been obtained. The book opens with a chapter on the historical development of NMR technology. Separate chapters follow on the fundamental principles of NMR; paramagnetic perturbations of NMR spectra; time scales, chemical exchange, and problems of exchange; and characteristics of NMR spectra through investigations of compounds such as amino acids and peptides; and nucleic acid bases, nucleosides, and nucleotides. Subsequent chapters deal with protein NRM spectra, protein-ligand interactions, and the structure and dynamics of membranes. This book is intended for the student or practicing scientist wishing to gain a critical understanding of the applications of NMR to a wide range of problems in molecular biology.

NMR in Biological Systems

NMR in Biological Systems Book
Author : K.V.R. Chary,Girjesh Govil
Publisher : Springer Science & Business Media
Release : 2008-04-01
ISBN : 1402066805
Language : En, Es, Fr & De

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Book Description :

During teaching NMR to students and researchers, we felt the need for a text-book which can cover modern trends in the application of NMR to biological systems. This book covers the entire area of NMR in Biological Sciences (Biomolecules, cells and tissues, animals, plants and drug design). As well as being useful to researchers, this is an excellent book for teaching a course on NMR in Biological Systems.