High Resolution EPR

Applications to Metalloenzymes and Metals in Medicine

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Author: Graeme Hanson,Lawrence Berliner

Publisher: Springer Science & Business Media

ISBN: 0387848568

Category: Medical

Page: 666

View: 2610

Metalloproteins comprise approximately 30% of all known proteins, and are involved in a variety of biologically important processes, including oxygen transport, biosynthesis, electron transfer, biodegradation, drug metabolism, proteolysis, and hydrolysis of amides and esters, environmental sulfur and nitrogen cycles, and disease mechanisms. EPR spectroscopy has an important role in not only the geometric structural characterization of the redox cofactors in metalloproteins but also their electronic structure, as this is crucial for their reactivity. The advent of x-ray crystallographic snapshots of the active site redox cofactors in metalloenzymes in conjunction with high-resolution EPR spectroscopy has provided detailed structural insights into their catalytic mechanisms. This volume was conceived in 2005 at the Rocky Mountain Conference on Analytical Chemistry (EPR Symposium) to highlight the importance of high-resolution EPR spectroscopy to the structural (geometric and electronic) characterization of redox active cofactors in metalloproteins. We have been fortunate to have enlisted internationally recognized experts in this joint venture to provide the scientific community with an overview of high-resolution EPR and its application to metals in biology. This volume, High-Resolution EPR: Applications to Metalloenzymes and Metals in Medicine, covers high-resolution EPR methods, iron proteins, nickel and copper enzymes, and metals in medicine. An eloquent synopsis of each chapter is provided by John Pilbrow in the Introduction. A second volume, Metals in Biology: Applications of High-Resolution EPR to Metalloenzymes, will appear later this year covering the complement of other metalloproteins. One of the pioneers in the development of pulsed EPR and its application to metalloproteins was Arthur Schweiger, whose contribution we include in this volume. Unfortunately, he passed away suddenly during the preparation of this volume. The editors and coauthors are extremely honored to dedicate this volume to the memory of Arthur Schweiger in recognition of his technical advances and insights into pulsed EPR and its application to metalloproteins. Arthur was extremely humble and treated everyone with equal respect. He was a gifted educator with an ability to explain complex phenomena in terms of simple intuitive pictures, had a delightful personality, and continues to be sadly missed by the community. It is an honor for the editors to facilitate the dissemination of these excellent contributions to the scientific community. Suggestions for future volumes are always appreciated.

Structure and Function

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Author: Peter Comba

Publisher: Springer Science & Business Media

ISBN: 9789048128884

Category: Science

Page: 260

View: 2695

The art of chemistry is to thoroughly understand the properties of molecular compounds and materials and to be able to prepare novel compounds with p- dicted and desirable properties. The basis for progress is to fully appreciate and fundamentally understand the intimate relation between structure and function. The thermodynamic properties (stability, selectivity, redox potential), reactivities (bond breaking and formation, catalysis, electron transfer) and electronic properties (spectroscopy, magnetism) depend on the structure of a compound. Nevertheless, the discovery of novel molecular compounds and materials with exciting prop- ties is often and to a large extent based on serendipity. For compounds with novel and exciting properties, a thorough analysis of experimental data – state-of-the-art spectroscopy, magnetism, thermodynamic properties and/or detailed mechanistic information – combined with sophisticated electronic structure calculations is p- formed to interpret the results and fully understand the structure, properties and their interrelation. From these analyses, new models and theories may emerge, and this has led to the development of ef cient models for the design and interpre- tion of new materials and important new experiments. The chapters in this book therefore describe various fundamental aspects of structures, dynamics and physics of molecules and materials. The approaches, data and models discussed include new theoretical developments, computational studies and experimental work from molecular chemistry to biology and materials science.

Metals in Biology

Applications of High-Resolution EPR to Metalloenzymes

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Author: Graeme Hanson,Lawrence Berliner

Publisher: Springer

ISBN: 1441911391

Category: Medical

Page: 419

View: 6848

Metal ions in biology is an ever expanding area in science and medicine involving metal ions in proteins and enzymes, their biosynthesis, catalysis, electron transfer, metal ion trafficking, gene regulation and disease. While X-ray crystallography has provided snapshots of the geometric structures of the active site redox cofactors in these proteins, the application of high resolution EPR spectroscopy in conjunction with quantum chemistry calculations has enabled, in many cases, a detailed understanding of a metalloenzymes mechanism through investigations of the geometric and electronic structure of the resting, enzyme-substrate intermediates and product complexes. This volume, Part II of a two-volume set demonstrates the application of high resolution EPR spectroscopy in determining the geometric and electronic structure of active site metal ion centers in iron sulfur cluster containing metalloproteins, mononuclear molybdenum metalloenzymes, manganese-containing enzymes and novel metalloproteins.

Future Directions in Metalloprotein and Metalloenzyme Research

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Author: Graeme Hanson,Lawrence Berliner

Publisher: Springer

ISBN: 3319591002

Category: Science

Page: 191

View: 529

This book covers the latest developments in metalloenzymes, including characterizing metal bridging in proteins and peptides, copper(II) complexes of marine peptides, high-spin Co(II) in model and metalloprotein systems to enzymes such as the molybdenum-containing enzymes, CW and pulse EPR of cytochrome P450 enzymes and the radical S-adenosylmethionine FeS family. In the previous two related volumes in the Biological Magnetic Resonance series, High-Resolution EPR: Applications to Metalloenzymes and Metals in Medicine and Metals in Biology:Applications of High-Resolution EPR to Metalloenzymes, topics covered included high-resolution EPR methods, iron proteins, nickel and copper enzymes, metals in medicine, iron–sulfur cluster-containing proteins, and molybdenum enzymes. In this volume, new developments in these areas are covered in detail and new areas that have emerged are also detailed. This is an ideal book for graduate students and researchers working in the fie lds of high-resolution EPR, metalloenzymes, and metals in biology.

Advances in Carbohydrate Chemistry and Biochemistry

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Author: Derek Horton

Publisher: Academic Press

ISBN: 0123855187

Category: Science

Page: 456

View: 3238

Since its inception in 1945, this serial has provided critical and integrating articles written by research specialists that bring together industrial, analytical and technological aspects of biochemistry, organic chemistry and instrumentation methodology in the study of carbohydrates. The articles provide a definitive interpretation of the current status and future trends in carbohydrate chemistry and biochemistry. Features contributions from leading authorities and industry experts Informs and updates on all the latest developments in the field

EPR of Free Radicals in Solids I

Trends in Methods and Applications

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Author: Anders Lund,Masaru Shiotani

Publisher: Springer Science & Business Media

ISBN: 9400748930

Category: Science

Page: 414

View: 8517

EPR of Free Radicals in Solids: Trends in Methods and Applications, 2nd ed. presents a critical two volume review of the methods and applications of EPR (ESR) for the study of free radical processes in solids. Emphasis is on the progress made in the developments in EPR technology, in the application of sophisticated matrix isolation techniques and in the advancement in quantitative EPR that have occurred since the 1st edition was published. Improvements have been made also at theoretical level, with the development of methods based on first principles and their application to the calculation of magnetic properties as well as in spectral simulations. EPR of Free Radicals in Solids I focuses on the trends in experimental and theoretical methods to extract structural and dynamical properties of radicals and spin probes in solid matrices by continuous wave (CW) and pulsed techniques. It presents simulation techniques and software for CW and pulsed EPR as well as studies of quantum effects at low temperature. The chapters dealing with quantum chemistry methods for the theoretical interpretation of hyperfine coupling tensors and g-tensors have been much extended in this edition and a new chapter on the calculation of zero-field splitting tensors has been added. This new edition is a valuable resource to experimentalists and theoreticians in research involving free radicals, as well as for students of advanced courses in physical chemistry, chemical physics, materials science, biophysics, biochemistry and related fields. This new edition is a valuable resource to experimentalists and theoreticians in research involving free radicals, as well as for students of advanced courses in physical chemistry, chemical physics, materials science, biophysics, biochemistry and related fields.

In vivo spectroscopy

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Author: Lawrence J. Berliner,Jacques Reuben

Publisher: Plenum Pub Corp

ISBN: 9780306442766

Category: Medical

Page: 334

View: 2021

This latest volume focuses on theory and applications of Nuclear Magnetic Resonance studies of cells, tissues, and organs in vivo.

Handbook of Multifrequency Electron Paramagnetic Resonance

Data and Techniques

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Author: Sushil K. Misra

Publisher: John Wiley & Sons

ISBN: 3527672451

Category: Science

Page: 320

View: 3876

This handbook is aimed to deliver an up-to-date account of some of the recently developed experimental and theoretical methods in EPR, as well as a complete up-to-date listing of the experimentally determined values of multifrequency transition-ion spin Hamiltonian parameters by Sushil Misra, reported in the past 20 years, extending such a listing published by him in the Handbook on Electron Spin Resonance, volume 2. This extensive data tabulation makes up roughly 60% of the book`s content. It is complemented by the first full compilation of hyperfine splittings and g-factors for aminoxyl (nitroxide) radicals since 197 by Larry Berliner, a world expert on spin labeling, helping to identify and interpret substances and processes by means of EPR techniques. The book also includes coverage of the recently developed experimental technique of rapid-scan EPR by Sandra Eaton and Gareth Eaton, and a thorough review of computational modeling in EPR by Stefan Stoll, author of Easy Spin.

Inorganic Chemical Biology

Principles, Techniques and Applications

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Author: Gilles Gasser

Publisher: John Wiley & Sons

ISBN: 111868415X

Category: Science

Page: 432

View: 2611

Understanding, identifying and influencing the biological systems are the primary objectives of chemical biology. From this perspective, metal complexes have always been of great assistance to chemical biologists, for example, in structural identification and purification of essential biomolecules, for visualizing cellular organelles or to inhibit specific enzymes. This inorganic side of chemical biology, which continues to receive considerable attention, is referred to as inorganic chemical biology. Inorganic Chemical Biology: Principles, Techniques and Applications provides a comprehensive overview of the current and emerging role of metal complexes in chemical biology. Throughout all of the chapters there is a strong emphasis on fundamental theoretical chemistry and experiments that have been carried out in living cells or organisms. Outlooks for the future applications of metal complexes in chemical biology are also discussed. Topics covered include: • Metal complexes as tools for structural biology • IMAC, AAS, XRF and MS as detection techniques for metals in chemical biology • Cell and organism imaging and probing DNA using metal and metal carbonyl complexes • Detection of metal ions, anions and small molecules using metal complexes • Photo-release of metal ions in living cells • Metal complexes as enzyme inhibitors and catalysts in living cells Written by a team of international experts, Inorganic Chemical Biology: Principles, Techniques and Applications is a must-have for bioinorganic, bioorganometallic and medicinal chemists as well as chemical biologists working in both academia and industry.

Spin States in Biochemistry and Inorganic Chemistry

Influence on Structure and Reactivity

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Author: Marcel Swart,Miquel Costas

Publisher: John Wiley & Sons

ISBN: 1118898303

Category: Science

Page: 472

View: 3903

It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossover compounds. As the fields of inorganic chemistry and catalysis move towards the use of cheap, non-toxic first row transition metals, it is essential to understand the important role of spin states in influencing molecular structure, bonding and reactivity. Spin States in Biochemistry and Inorganic Chemistry provides a complete picture on the importance of spin states for reactivity in biochemistry and inorganic chemistry, presenting both theoretical and experimental perspectives. The successes and pitfalls of theoretical methods such as DFT, ligand-field theory and coupled cluster theory are discussed, and these methods are applied in studies throughout the book. Important spectroscopic techniques to determine spin states in transition metal complexes and proteins are explained, and the use of NMR for the analysis of spin densities is described. Topics covered include: DFT and ab initio wavefunction approaches to spin states Experimental techniques for determining spin states Molecular discovery in spin crossover Multiple spin state scenarios in organometallic reactivity and gas phase reactions Transition-metal complexes involving redox non-innocent ligands Polynuclear iron sulfur clusters Molecular magnetism NMR analysis of spin densities This book is a valuable reference for researchers working in bioinorganic and inorganic chemistry, computational chemistry, organometallic chemistry, catalysis, spin-crossover materials, materials science, biophysics and pharmaceutical chemistry.

Biological Inorganic Chemistry

An Introduction

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Author: Robert R. Crichton

Publisher: Elsevier

ISBN: 9780080556222

Category: Science

Page: 381

View: 9326

The importance of metals in biology, the environment and medicine has become increasingly evident over the last twenty five years. The study of the multiple roles of metal ions in biological systems, the rapidly expanding interface between inorganic chemistry and biology constitutes the subject called Biological Inorganic Chemistry. The present text, written by a biochemist, with a long career experience in the field (particularly iron and copper) presents an introduction to this exciting and dynamic field. The book begins with introductory chapters, which together constitute an overview of the concepts, both chemical and biological, which are required to equip the reader for the detailed analysis which follows. Pathways of metal assimilation, storage and transport, as well as metal homeostasis are dealt with next. Thereafter, individual chapters discuss the roles of sodium and potassium, magnesium, calcium, zinc, iron, copper, nickel and cobalt, manganese, and finally molybdenum, vanadium, tungsten and chromium. The final three chapters provide a tantalising view of the roles of metals in brain function, biomineralization and a brief illustration of their importance in both medicine and the environment. Relaxed and agreeable writing style. The reader will not only fiind the book easy to read, the fascinating anecdotes and footnotes will give him pegs to hang important ideas on. Written by a biochemist. Will enable the reader to more readily grasp the biological and clinical relevance of the subject. Many colour illustrations. Enables easier visualization of molecular mechanisms Written by a single author. Ensures homgeneity of style and effective cross referencing between chapters

Principles and Applications of ESR Spectroscopy

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Author: Anders Lund,Masaru Shiotani,Shigetaka Shimada

Publisher: Springer Science & Business Media

ISBN: 9781402053443

Category: Science

Page: 461

View: 5699

Principles and Applications of ESR Spectroscopy fills the gap between the detailed monographs in ESR spectroscopy and the general textbooks in molecular physics, physical chemistry, biochemistry or spectroscopy. The latter only briefly explain the underlying theory and do not provide details about applications, while the currently available ESR textbooks are primarily focused on the technique as such. This text is based upon the authors’ long experience of teaching the subject to a mixed audience, in the extreme case ranging from physics to biology. The potential of the method is illustrated with applications in fields such as molecular science, catalysis and environmental sciences, polymer and materials sciences, biochemistry and radiation chemistry/physics. Theoretical derivations have in general been omitted, as they have been presented repeatedly in previous works. The necessary theory is instead illustrated by practical examples from the literature.

EPR: Instrumental Methods

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Author: Christopher J. Bender,Lawrence J. Berliner

Publisher: Springer Science & Business Media

ISBN: 144198951X

Category: Medical

Page: 437

View: 3423

Electron magnetic resonance spectroscopy is undergoing something akin to a renaissance that is attributable to advances in microwave circuitry and signal processing software. EPR: Instrumental Methods is a textbook that brings the reader up to date on these advances and their role in providing better experimental techniques for biological magnetic resonance. Chapters in this book guide the reader from basic principles of spectrometer design through the advanced methods that are providing new vistas in disciplines such as oximetry, imaging, and structural biology. Key Features: Spectrometer design, particularly at low frequencies (below X-band), Design of spectrometer components unique to ENDOR and ESEEM, Optimization of EMR spectrometer sensitivity spanning many octaves, Algorithmic approach to spectral parameterization, Application of Fourier Methods to polymer conformation, oximetry, and imaging.

Metallotherapeutic Drugs and Metal-Based Diagnostic Agents

The Use of Metals in Medicine

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Author: Marcel Gielen,Edward R. T. Tiekink

Publisher: John Wiley & Sons

ISBN: 0470864044

Category: Science

Page: 638

View: 8620

There are an astonishing number and variety of roles that metals play in contemporary medicine. This book contains information on the medicinal uses of inorganics, that is, of elements such as boron, lithium, selenium, to name a few, as well as metal-containing species. In keeping with the notion that healthy mammals rely on (bio-essential) metals for the normal functioning of approximately a third of their proteins and enzymes, a large number of drugs are metal-based and considerable effort is being devoted to developing both second- and third-generation drugs as well as generating novel metal-based drugs. While there is no doubt that there is an emphasis on 'Metallotherapeutics' throughout the volume, the use of metals in medicine is not restricted to metal-based drugs. The following are also covered: non-invasive radiopharmaceuticals Magnetic Resonance Imaging (MRI) mineral supplements From the foregoing and, more importantly, from the contents of the various Chapters, the reader will gain an appreciation of the very real role metal-based drugs play in modern medicine and of the considerable effort being devoted to the development of novel complexes with greater efficacy as therapeutic and diagnostic agents.

Biological Inorganic Chemistry

Structure and Reactivity

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Author: Ivano Bertini

Publisher: University Science Books

ISBN: 9781891389436

Category: Science

Page: 739

View: 7524

The long awaited text for 21st century courses in biological inorganic chemistry is now available. Organized and edited by Ivano Bertini, Harry Gray, Ed Stiefel, and Joan Valentine, with contributions from many other world leaders in the field, this all-new book is equally appropriate for graduate or senior undergraduate courses in bioinorganic chemistry. The book has been extensively class-tested at Princeton and UCLA, and it includes tutorials in biology and biochemistry and in inorganic chemistry to aid students of varying backgrounds. The main text is divided into two parts. Part A, 'Overviews of Biological Inorganic Chemistry', sets forth the unifying principles of the field. A full course in bioinorganic chemistry could be based entirely on this overview section, which is a really a book within a book! Part B, 'Metal-Ion Containing Biological Systems', describes specific classes of systems in detail. A special feature is the strong connection to the genomic revolution that has dramatically enhanced our ability to define the function of gene products in living organisms. Throughout the book, protein data bank codes are given for structures discussed in the text, and students are encouraged to learn to use the PDB in their courses and research.

Electron Spin Echo Envelope Modulation (ESEEM) Spectroscopy

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Author: Sergei A. Dikanov,Yuri Tsvetkov

Publisher: CRC Press

ISBN: 9780849342240

Category: Science

Page: 432

View: 7568

The first volume devoted entirely to Electron Spin Echo Envelope Modulation (ESEEM) Spectroscopy This valuable book provides an introduction and broad survey of topics in ESEEM spectroscopy, including the theory, instrumentation, peculiarities of ESE experiments, and analysis of experimental data with particular emphasis on orientationally disordered systems. Applications of ESEEM spectroscopy to study chemically and biologically important paramagnetic centers in single crystals, amorphous solids, and powders are discussed as well. Electron Spin Echo Envelope Modulation (ESEEM) Spectroscopy will benefit specialists in magnetic resonance spectroscopy, physicists, chemists, and biologists who use magnetic resonance in their research.

EMR of Paramagnetic Molecules

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Author: Lawrence J. Berliner,Jacques Reuben

Publisher: Springer Science & Business Media

ISBN: 1461528925

Category: Medical

Page: 400

View: 3524

Published as a companion to Volume 12, the current volume presents the latest advances in electron paramagnetic resonance of iron proteins, metalloproteins, and free radicals. The book features a diskette containing programs for iron ERP spectral simulation and ENDOR analyses.

Metalloproteins

Methods and Protocols

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Author: Juan C. Fontecilla-Camps,Yvain Nicolet

Publisher: Humana Press

ISBN: 9781627037938

Category: Science

Page: 299

View: 5303

Metalloproteins are involved in many key biological processes such as gas transport and metabolism, photosynthesis, cell respiration, the Krebs cycle and many other vital redox reactions. Metalloproteins: Methods and Protocols addresses multiple aspects of metalloenzyme research from the production and purification of metalloproteins using both standard recombinant techniques and a cell-free system, to the electrochemical analysis of metalloproteins, as well as IR techniques, Mössbauer spectroscopy and the theoretical interpretation of metalloenzyme catalytic and redox processes, to name a few topics. Written in the successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols and notes on troubleshooting and avoiding known pitfalls. Authoritative and easily accessible, Metalloproteins: Methods and Protocols seeks to serve both professionals and novices interested in the metalloprotein field.

Structural Information from Spin-Labels and Intrinsic Paramagnetic Centres in the Biosciences

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Author: Christiane R. Timmel,Jeffrey R. Harmer

Publisher: Springer

ISBN: 3642391257

Category: Science

Page: 322

View: 2621

Pulse Dipolar Electron Spin Resonance: Distance Measurements by Peter P. Borbat, Jack H. Freed.Interpretation of Dipolar EPR Data in Terms of Protein Structure, by Gunnar Jeschke.Site-Directed Nitroxide Spin Labeling of Biopolymers, by Sandip A. Shelke and Snorri Th. Sigurdsson. Metal-Based Spin Labeling for Distance Determination, by Daniella Goldfarb. Structural Information from Spin-Labelled Membrane-Bound Proteins, by Johann P. KLare, Heinz-Jürgen Steinhoff. Structural Information from Oligonucleotides, by Richard Ward and Olav Schiemann. Orientation selective DEER using rigid spin labels, cofactors, metals, and clusters, by Claudia E. Tait, Alice M. Bowen, Christiane R. Timmel, Jeffrey Harmer