Structure Determination by X-ray Crystallography

Analysis by X-rays and Neutrons

Author: Mark Ladd,Rex Palmer

Publisher: Springer Science & Business Media

ISBN: 146143954X

Category: Science

Page: 756

View: 5590

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The advances in and applications of x-ray and neutron crystallography form the essence of this new edition of this classic textbook, while maintaining the overall plan of the book that has been well received in the academic community since the first edition in 1977. X-ray crystallography is a universal tool for studying molecular structure, and the complementary nature of neutron diffraction crystallography permits the location of atomic species in crystals which are not easily revealed by X-ray techniques alone, such as hydrogen atoms or other light atoms in the presence of heavier atoms. Thus, a chapter discussing the practice of neutron diffraction techniques, with examples, broadens the scope of the text in a highly desirable way. As with previous editions, the book contains problems to illustrate the work of each chapter, and detailed solutions are provided. Mathematical procedures related to the material of the main body of the book are not discussed in detail, but are quoted where needed with references to standard mathematical texts. To address the computational aspect of crystallography, the suite of computer programs from the fourth edition has been revised and expanded. The programs enable the reader to participate fully in many of the aspects of x-ray crystallography discussed in the book. In particular, the program system XRAY* is interactive, and enables the reader to follow through, at the monitor screen, the computational techniques involved in single-crystal structure determination, albeit in two dimensions, with the data sets provided. Exercises for students can be found in the book, and solutions are available to instructors.

Structure Determination by X-Ray Crystallography

Author: M. Ladd

Publisher: Springer Science & Business Media

ISBN: 1461579368

Category: Science

Page: N.A

View: 1043

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X-ray crystaIlography provides us with the most accurate picture we can get of atomic and molecular structures in crystals. It provides a hard bedrock of structural results in chemistry and in mineralogy. In biology, where the structures are not fuIly crystaIline, it can still provide valuable results and, indeed, the impact here has been revolutionary. It is still an immense field for young workers, and no doubt will provide yet more striking develop ments of a major character. It does, however, require a wide range of inteIlectual application, and a considerable ability in many fields. This book will provide much help. It is a very straightforward and thorough guide to every aspect of the subject. The authors are experienced both as research workers themselves and as teachers of standing, and this is shown in their clarity of exposition. There are plenty of illustrations and worked examples to aid the student to obtain areal grasp of the subject.

Structure Determination by X-Ray Crystallography

Author: Marcus Frederick Charles Ladd,Rex Alfred Palmer

Publisher: Springer Science & Business Media

ISBN: 9780306474545

Category: Science

Page: 819

View: 3940

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This book is an account of crystal symmetry and optical and e-ray diffraction techniques for examining single crystals. It includes the solution of crystal structures by the current methods, worked examples of crystal structure determination, problems and solutions for each chapter.

Structure Determination by X-ray Crystallography

Author: M. Ladd

Publisher: Springer Science & Business Media

ISBN: 1461517931

Category: Science

Page: 586

View: 6512

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X-ray crystallography provides us with the most accurate picture we can get of atomic and molecular structures in crystals. It provides a hard bedrock of structural results in chemistry and in mineralogy. In biology, where the structures are not fully crystalline, it can still provide valuable results and, indeed, the impact here has been revolutionary. It is still an immense field for young workers, and no doubt will provide yet more striking developments of a major character. It does, however, require a wide range of intellectual application, and a considerable ability in many fields. This book will provide much help. It is a very straightforward and thorough guide to every aspect of the subject. The authors are ex perienced both as research workers and as teachers of standing, and this is shown in their clarity of exposition. There are plenty of illustrations and worked examples to aid the student to obtain a real grasp of the subject. The practical side is encouraged by the very clarity of the theory.

Crystal Structure Determination

Author: Werner Massa

Publisher: Springer Science & Business Media

ISBN: 9783540206446

Category: Science

Page: 212

View: 8289

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This textbook gives a concise introduction to modern crystal structure determination, emphasising both its theoretical background and the way it is actually carried out. The theoretical sections are supported by many illustrations, and lay emphasis on a good understanding rather than rigorous mathematics. The most important data collection techniques, and the methods of data reduction, structure solution and refinement are discussed from a practical point of view. Many tips and insights help readers to recognise and avoid possible errors and traps, and to judge the quality of results. The second edition has been considerably updated, especially the chapter on experimental methods, which is now mainly concerned with modern data collection using area-detectors.

Principles of Protein X-ray Crystallography

Author: Jan Drenth

Publisher: Springer Science & Business Media

ISBN: 1475723350

Category: Science

Page: 305

View: 9342

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New textbooks at all levels of chemistry appear with great regularity. Some fields like basic biochemistry, organic reaction mechanisms, and chemical thermodynamics are well represented by many excellent texts, and new or revised editions are published sufficiently often to keep up with progress in research. However, some areas of chemistry, especially many of those taught at the graduate level, suffer from a real lack of up to-date textbooks. The most serious needs occur in fields that are rapidly changing. Textbooks in these subjects usually have to be written by scientists actually involved in the research which is advancing the field. It is not often easy to persuade such individuals so set time aside to help spread the knowledge they have accumulated. Our goal, in this series, is to pinpoint areas of chemistry where recent progress has outpaced what is covered in any available textbooks, and then seek out and persuade experts in these fields to produce relatively concise but instructive intro ductions to their fields. These should serve the needs of one semester or one quarter graduate courses in chemistry and biochemistry. In some cases, the availability of texts in active research areas should help stimulate the creation of new courses. Charles R. Cantor v Preface Macromolecules are the principal nonaqueous components of living cells. Among the macromolecules (proteins, nucleic acids, and carbohydrates), proteins are the largest group.

X-ray Crystallography

Author: William Clegg

Publisher: Oxford University Press, USA

ISBN: 0198700970

Category: X-ray crystallography

Page: 128

View: 6101

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The renowned Oxford Chemistry Primers series, which provides focused introductions to a range of important topics in chemistry, has been refreshed and updated to suit the needs of today's students, lecturers, and postgraduate researchers. The rigorous, yet accessible, treatment of each subject area is ideal for those wanting a primer in a given topic to prepare them for more advanced study or research. Moreover, cutting-edge examples and applications throughout the texts show the relevance of the chemistry being described to current research and industry. Learning features provided in the primers, including questions at the end of every chapter and interactive online MCQs, encourage active learning and promote understanding. Furthermore, frequent diagrams, margin notes, further reading, and glossary definitions all help to enhance a student's understanding of these essential areas of chemistry. This primer provides a succinct account of the technique of X-ray crystallography for determining structure in the solid state. Engaging examples of practical applications are described throughout, emphasising the importance of this field to modern research and industry. Furthermore, end of chapter exercises and online multiple choice questions enable students to test their own understanding of the subject. Online Resource Centre The Online Resource Centre to accompany X-Ray Crystallography features: For registered adopters of the text: * Figures from the book available to download For students: * Downloadable CIF data files * Multiple-choice questions for self-directed learning * Full worked solutions to the end-of-chapter exercises

Crystal Structure Determination

Author: William Clegg,William Clegg (Prof.)

Publisher: Oxford University Press

ISBN: 9780198559016

Category: Language Arts & Disciplines

Page: 84

View: 6660

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This concise text describes the basic principles of crystal structure determination by X-ray diffraction and the application of these principles in practice. The technique is presented step-by-step and illustrated with a wide range of case studies, including the use of the most up-to-date equipment. Crystal Structure Determination explains how X-ray crystallography fits in with modern chemistry, why it is important, and what it can do, with the aim of enabling the reader to understand and assess structural results in books and research journals. There is additional coverage of related topics such as neutron diffraction and the application of computer databases. Mathematical treatment is kept at a relatively low level and is complemented by extensive illustrations and worked examples. This clear introduction to the topic will be an essential text for chemistry undergraduates. Other related science undergraduates (biochemists, environmental scientists, etc.) and postgraduate chemists will also find this book useful.

Early Days of X-ray Crystallography

Author: André Authier

Publisher: Oxford University Press

ISBN: 0199659842

Category: Science

Page: 441

View: 4711

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The modern applications of X-ray crystallography range from drug design to characterisation of high technology materials. This book tells the story of its pioneers and relates how the first crystal structures were determined.

Advanced X-ray Crystallography

Author: Kari Rissanen

Publisher: Springer Science & Business Media

ISBN: 3642274072

Category: Science

Page: 184

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Computational Studies of Crystal Structure and Bonding, by Angelo Gavezzotti Cryo-Crystallography: Diffraction at Low Temperature and More, by Piero Macchi High-Pressure Crystallography, by Malcolm I. McMahon Chemical X-Ray Photodiffraction: Principles, Examples, and Perspectives, by Panče Naumov Powder Diffraction Crystallography of Molecular Solids, by Kenneth D. M. Harris

Crystallography Made Crystal Clear

A Guide for Users of Macromolecular Models

Author: Gale Rhodes

Publisher: Academic Press

ISBN: 0323137784

Category: Science

Page: 202

View: 2124

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Crystallography Made Crystal Clear is designed to meet the need for an X-ray analysis that is between brief textbook sections and complete treatments. The book provides non-crystallographers with an intellectually satisfying explanation of the principles of how protein models are gleaned from X-ray analysis. The understanding of these concepts will foster wise use of the models, including the recognition of the strengths and weaknesses of pictures or computer graphics. Since proteins comprise the majority of the mass of macromolecules in cells and carry out biologically important tasks, the book will be of interest to biologists. Provides accessible descriptions of principles of x-ray crystallography, built on simple foundations for anyone with a basic science background Leads the reader through clear, thorough, unintimidating explanations of the mathematics behind crystallography Explains how to read crystallography papers in research journals If you use computer-generated models of proteins or nucleic acids for: Studying molecular interactions Designing ligands, inhibitors, or drugs Engineering new protein functions Interpreting chemical, kinetic, thermodynamic, or spectroscopic data Studying protein folding Teaching macromolecule structure,and if you want to read new structure papers intelligently; become a wiser user of macromolecular models; and want to introduce undergraduates to the important subject of x-ray crystallography, then this book is for you.

Protein Crystallography

Methods and Protocols

Author: Alexander Wlodawer,Zbigniew Dauter,Mariusz Jaskolski

Publisher: Humana Press

ISBN: 9781493969982

Category: Science

Page: 672

View: 470

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This volume provides methods for modern macromolecular crystallography, including all steps leading to crystal structure determination and analysis. Written in the highly 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 laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, Protein Crystallography aims to ensure successful results in the further study of this vital field.

Physical Chemistry from a Different Angle

Introducing Chemical Equilibrium, Kinetics and Electrochemistry by Numerous Experiments

Author: Georg Job,Regina Rüffler

Publisher: Springer

ISBN: 3319156667

Category: Science

Page: 641

View: 2954

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Learning the basics of physical chemistry with a unique, innovative approach. Georg Job and Regina Rueffler introduce readers to an almost intuitive understanding of the two fundamental concepts, chemical potential and entropy. Avoiding complex mathematics, these concepts are illustrated with the help of numerous demonstration experiments. Using these concepts, the subjects of chemical equilibria, kinetics and electrochemistry are presented at an undergraduate level. The basic quantities and equations necessary for the qualitative and quantitative description of chemical transformations are introduced by using everyday experiences and particularly more than one hundred illustrative experiments, many presented online as videos. These are in turn supplemented by nearly 400 figures, and by learning objectives for each chapter. From a review of the German edition: “This book is the most revolutionary textbook on physical chemistry that has been published in the last few decades.”

Theories and Techniques of Crystal Structure Determination

Author: Uri Shmueli

Publisher: Oxford University Press

ISBN: 019921350X

Category: Science

Page: 269

View: 3773

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The book is a detailed but concise exposition of crystal structure determination at a graduate level. Discussions range from geometrical principles of crystallography, through relevant experimental methods, to techniques of reliable and accurate determination of crystal structures.

Classical Nucleation Theory in Multicomponent Systems

Author: Hanna Vehkamäki

Publisher: Springer Science & Business Media

ISBN: 3540312188

Category: Science

Page: 188

View: 8075

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Nucleation is the initial step of every first-order phase transition, and most phase transitions encountered both in everyday life and industrial processes are of the first-order. Using an elegant classical theory based on thermodynamics and kinetics, this book provides a fully detailed picture of multi-component nucleation. As many of the issues concerning multi-component nucleation theory have been solved during the last 10-15 years, it also thoroughly integrates both fundamental theory with recent advances presented in the literature. Classical Nucleation Theory in Multicomponent Systems serves as a textbook for advanced thermodynamics courses, as well as an important reference for researchers in the field. The main topics covered are: the basic relevant thermodynamics and statistical physics; modelling a molecular cluster as a spherical liquid droplet; predicting the size and composition of the nucleating critical clusters; kinetic models for cluster growth and decay; calculating nucleation rates; and a full derivation and application of nucleation theorems that can be used to extract microscopic cluster properties from nucleation rate measurements. The assumptions and approximations needed to build the classical theory are described in detail, and the reasons why the theory fails in certain cases are explained. Relevant problems are presented at the end of each chapter.

Protein Crystallography

Challenges and Practical Solutions

Author: Gwyndaf Evans,Konstantinos Beis

Publisher: Royal Society of Chemistry

ISBN: 1782627286

Category: Science

Page: 225

View: 4273

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Protein crystallography has become vital to further understanding the structure and function of many complex biological systems. In recent years, structure determination has progressed tremendously however the quality of crystals and data sets can prevent the best results from being obtained. With contributions from world leading researchers whose software are used worldwide, this book provides a coherent approach on how to handle difficult crystallographic data and how to assess its quality. The chapters will cover all key aspects of protein crystallography, from instrumentation and data processing through to model building. This book also addresses challenges that protein crystallographers will face such as dealing with data from microcrystals and multi protein complexes. This book is ideal for both academics and researchers in industry looking for a comprehensive guide to protein crystallography.

Outline of Crystallography for Biologists

Author: David Blow

Publisher: Oxford University Press on Demand

ISBN: 0198510519

Category: Medical

Page: 236

View: 4197

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X-ray crystallography is the main method used to determine the structure of biological molecules. X-ray crystallography is explained without maths and reading this text allows biologists to assess the quality and accuracy of biological structures.

X-Ray Diffraction Crystallography

Introduction, Examples and Solved Problems

Author: Yoshio Waseda,Eiichiro Matsubara,Kozo Shinoda

Publisher: Springer Science & Business Media

ISBN: 9783642166358

Category: Technology & Engineering

Page: 310

View: 3051

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X-ray diffraction crystallography for powder samples is a well-established and widely used method. It is applied to materials characterization to reveal the atomic scale structure of various substances in a variety of states. The book deals with fundamental properties of X-rays, geometry analysis of crystals, X-ray scattering and diffraction in polycrystalline samples and its application to the determination of the crystal structure. The reciprocal lattice and integrated diffraction intensity from crystals and symmetry analysis of crystals are explained. To learn the method of X-ray diffraction crystallography well and to be able to cope with the given subject, a certain number of exercises is presented in the book to calculate specific values for typical examples. This is particularly important for beginners in X-ray diffraction crystallography. One aim of this book is to offer guidance to solving the problems of 90 typical substances. For further convenience, 100 supplementary exercises are also provided with solutions. Some essential points with basic equations are summarized in each chapter, together with some relevant physical constants and the atomic scattering factors of the elements.