Crystal structure analysis

a primer

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Author: Jenny Pickworth Glusker,Kenneth N. Trueblood

Publisher: N.A

ISBN: N.A

Category: Science

Page: 269

View: 3061

This practical guide explains how and why the architecture of molecules can be determined by analysis of the diffraction patterns produced by X-ray crystallography. Thoroughly illustrated, it is intended for nonspecialists who want to understand the fundamentals of this widely used method ofstructure determination. The new second edition has been revised and expanded to take account of the many recent advances in the field.

Crystal Structure Analysis

A Primer

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Author: Jenny Pickworth Glusker,Kenneth N. Trueblood

Publisher: Oxford University Press

ISBN: 0199576343

Category: Science

Page: 276

View: 2363

The purpose of this book is to explain why molecular structure can be determined by single-crystal diffraction of X rays. It is not an account of the practical procedural details, but rather an account of the underlying physical principles, and the kinds of experiments and methods of handling the experimental data that are used.

Crystal Structure Refinement

A Crystallographer's Guide to SHELXL

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Author: Peter Muller

Publisher: Oxford University Press

ISBN: 0198570767

Category: Science

Page: 213

View: 1763

Accompanying CD-ROM contains all the files necessary to reproduce the refinements covered in the text.

Crystallography Made Crystal Clear

A Guide for Users of Macromolecular Models

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Author: Gale Rhodes

Publisher: Academic Press

ISBN: 0323137784

Category: Science

Page: 202

View: 3864

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.

The Basics of Crystallography and Diffraction

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Author: Christopher Hammond

Publisher: OUP Oxford

ISBN: 0191058688

Category: Science

Page: 528

View: 9403

This book provides a clear and very broadly based introduction to crystallography, light, X-ray and electron diffraction - a knowledge which is essential to students in a wide range of scientific disciplines but which is otherwise generally covered in subject-specific and more mathematically detailed texts. The text is also designed to appeal to the more general reader since it shows, by historical and biographical references, how the subject has developed from the work and insights of successive generations of crystallographers and scientists. The book shows how an understanding of crystal structures, both inorganic and organic may be built up from simple ideas of atomic and molecular packing. Beginning with (two dimensional) examples of patterns and tilings, the concepts of lattices, symmetry point and space groups are developed. 'Penrose' tilings and quasiperiodic structures are also included. The reciprocal lattice and its importance in understanding the geometry of light, X-ray and electron diffraction patterns is explained in simple terms, leading to Fourier analysis in diffraction, crystal structure determination, image formation and the diffraction-limited resolution in these techniques. Practical X-ray and electron diffraction techniques and their applications are described. A recurring theme is the common principles: the techniques are not treated in isolation. The fourth edition has been revised throughout, and includes new sections on Fourier analysis, Patterson maps, direct methods, charge flipping, group theory in crystallography, and a new chapter on the description of physical properties of crystals by tensors (Chapter 14).

Crystal Structure Determination

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Author: Werner Massa

Publisher: Springer Science & Business Media

ISBN: 3662042487

Category: Science

Page: 206

View: 2046

A concise introduction to modern crystal structure determination, emphasizing both the crystallographic background and the successive practical steps. In the theoretical sections, more importance is attached to a good understanding, than to a rigorous mathematical treatment. The most important measuring techniques, including the use of modern area detectors, and the methods of data reduction, structure solution and refinement are discussed from a practical point of view. Special emphasis is put on the ability to recognize and avoid possible errors and traps, and to judge the quality of results.

Fundamentals of Crystallography

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Author: Carmelo Giacovazzo

Publisher: Oxford University Press

ISBN: 9780198555780

Category: Crystallography

Page: 654

View: 3695

Offers a rigorous treatment of the theory of crystallography and detailed descriptions of experimental applications in a wide range of sciences, including computational aspects, protein crystallography and crystal physics.

Crystal Structure Analysis

Principles and Practice

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Author: Alexander J Blake,William Clegg

Publisher: Oxford University Press

ISBN: 019921946X

Category: Science

Page: 387

View: 8626

By choosing an approach that avoids undue emphasis on the mathematics involved, this book gives practical advice on topics such as growing crystals, solving and refining structures, and understanding and using the results.

Principles of X-ray Crystallography

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Author: Li-ling Ooi

Publisher: Oxford University Press

ISBN: 0199569045

Category: Science

Page: 154

View: 1815

"With an understanding of three-dimensional structure being so central to the understanding of molecular function, Principles of X-ray Crystallography is the perfect guide for anyone needing to gain a working insight into X-ray crystallography." --Book Jacket.

Crystal Structure Determination

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Author: William Clegg,William Clegg (Prof.)

Publisher: N.A

ISBN: 9780198559016

Category: Language Arts & Disciplines

Page: 84

View: 7574

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.

X-ray Crystallography

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Author: William Clegg

Publisher: Oxford University Press, USA

ISBN: 0198700970

Category: X-ray crystallography

Page: 128

View: 6367

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

Advanced Structural Inorganic Chemistry

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Author: Wai-Kee Li,Gong-Du Zhou,Thomas C. W. Mak

Publisher: Oxford University Press

ISBN: 0199216940

Category: Science

Page: 819

View: 4003

A revised and updated English edition of a textbook based on teaching at the final year undergraduate and graduate level. It presents structure and bonding, generalizations of structural trends, crystallographic data, as well as highlights from the recent literature.

X-Ray Diffraction

A Practical Approach

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Author: C. Suryanarayana,M. Grant Norton

Publisher: Springer Science & Business Media

ISBN: 1489901485

Category: Technology & Engineering

Page: 273

View: 6163

In this, the only book available to combine both theoretical and practical aspects of x-ray diffraction, the authors emphasize a "hands on" approach through experiments and examples based on actual laboratory data. Part I presents the basics of x-ray diffraction and explains its use in obtaining structural and chemical information. In Part II, eight experimental modules enable the students to gain an appreciation for what information can be obtained by x-ray diffraction and how to interpret it. Examples from all classes of materials -- metals, ceramics, semiconductors, and polymers -- are included. Diffraction patterns and Bragg angles are provided for students without diffractometers. 192 illustrations.

Crystal Structure Analysis for Chemists and Biologists

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Author: Jenny P. Glusker,Mitchell Lewis,Miriam Rossi

Publisher: John Wiley & Sons

ISBN: 9780471185437

Category: Science

Page: 854

View: 6916

The fields of structural chemistry and biochemistry have blossomed in the last seventy years since X-ray diffraction was discovered in 1912. Dorothy Hodgkin, who obtained a Nobel Prize in 1965 for her X-ray diffraction work wrote 'a great advantage of X-ray analysis as a method of chemical structure analysis is its power to show some totally unexpected and surprising structure with, at the same time, complete certainty.' The results of all X-ray diffraction studies are used by chemists and buiochemists but these scientists need to be able to appreciate the significance and extent to which these results may be used. A number of books written for practicing crystallographers cover the theory and applications of X-ray diffraction, but few are of real practical use to non-specialists. In 'Crystal Structure Analysis for Biologists and Chemists', the general principles of crystal structure are presented in a highly readable way. The book of Glusker, who is internationally renowned, provides good coverage of theory, including data and understanding their significance.

Electron Crystallography

Electron Microscopy and Electron Diffraction

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Author: Xiaodong Zou,Sven Hovmöller,Peter Oleynikov

Publisher: Oxford University Press

ISBN: 0199580200

Category: Science

Page: 332

View: 5917

Includes bibliographical references and index.

Engineering Crystallography: From Molecule to Crystal to Functional Form

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Author: Kevin J. Roberts,Robert Docherty,Rui Tamura

Publisher: Springer

ISBN: 9402411178

Category: Science

Page: 478

View: 3946

This book highlights the current state-of-the-art regarding the application of applied crystallographic methodologies for understanding, predicting and controlling the transformation from the molecular to crystalline state with the latter exhibiting pre-defined properties. This philosophy is built around the fundamental principles underpinning the three inter-connected themes of Form (what), Formation (how) and Function (why). Topics covered include: molecular and crystal structure, chirality and ferromagnetism, supramolecular assembly, defects and reactivity, morphology and surface energetics. Approaches for preparing crystals and nano-crystals with novel physical, chemical and mechanical properties include: crystallisation, seeding, phase diagrams, polymorphic control, chiral separation, ultrasonic techniques and mechano-chemistry. The vision is realised through examination of a range of advanced analytical characterisation techniques including in-situ studies. The work is underpinned through an unprecedented structural perspective of molecular features, solid-state packing arrangements and surface energetics as well as in-situ studies. This work will be of interest to researchers, industrialists, intellectual property specialists and policy makers interested in the latest developments in the design and supply of advanced high added-value organic solid-form materials and product composites.

Light Sensing in Plants

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Author: M. Wada,K. Shimazaki,M. Iino

Publisher: Springer Science & Business Media

ISBN: 4431270922

Category: Science

Page: 370

View: 9281

Plants utilize light not only for photosynthesis but also as environmental signals. They are capable of perceiving wavelength, intensity, direction, duration, and other attributes of light to perform appropriate physiological and developmental changes. This volume presents overviews of and the latest findings in many of the interconnected aspects of plant photomorphogenesis, including photoreceptors (phytochromes, cryptochromes, and phototropins), signal transduction, photoperiodism, and circadian rhythms, in 42 chapters. Also included, is a prologue by Prof. Masaki Furuya that gives an overview of the historical background. With contributions from preeminent researchers in specific subjects from around the world, this book will be a valuable source for a range of scientists from undergraduate to professional levels.

Advancing Methods for Biomolecular Crystallography

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Author: Randy Read,Alexandre G. Urzhumtsev,Vladimir Y. Lunin

Publisher: Springer

ISBN: 9400762321

Category: Science

Page: 362

View: 6740

This work presents a snapshot of the state of the art of modern biomolecular crystallography, from crystallisation through structure determination and even interactive presentation on the web. Methods driving the latest automated structure determination pipelines are explained, as well as how to deal with problems such as crystal pathologies that still demand expert analysis. These methods are illustrated through their application to problems of great biological interest, such as the molecular machinery underlying the complement pathway, the mechanism of action of monoamine oxidase inhibitors, and the structure of the eukaryotic ribosome. Complementary approaches, such as neutron diffraction, small angle X-ray scattering, coherent diffraction and computational modelling, are also explored.