Download or read book Theory and Practice of Direct Methods in Crystallography written by M. F. C. Ladd and published by Springer. This book was released on 1980-01-31 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: Direct methods of crystal structure determination are usually associated with techniques in which phases for a set of structure factors are determined from the corresponding experimental amplitudes by probabilistic calcula tions. It is thus implied that such ab initio phase calculations do not require a knowledge of atomic positions, and this basis distinguishes direct methods from other techniques for structure determination. An acceptably wider interpretation of the term direct methods leads to other important applica tions involving, inter alia, the use of heavy atoms, resolution-limited phase data for large molecules, rotation functions, and Fourier series. These topics are discussed in the later chapters of this book. Although some earlier theoretical investigations were made by Harker and Kaspar, direct methods may be considered to have begun around the year 1950. Important landmarks in the development of the subject include the book by Hauptmann and Karle, The Centrosymmetric Crystal (1953), the definitive paper by Karle and Karle in Acta Crystallographica (1966), and the recent (1978) sophisticated program package MULTAN 78 produced mainly by Germain, Main, and Woolfson. Woolfson's book, Direct Methods in Crystallography, was published in 1961, but because of the rapid progress in direct methods, much of it soon became outmoded. It is interesting to note that direct methods nearly came into being many years earlier. Certainly the E2 relationship was used implicitly by Lonsdale in 1928 in determining the crystal structure of hexamethylbenzene.
Download or read book Structure Determination from Powder Diffraction Data written by William I. F. David and published by OUP Oxford. This book was released on 2002 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Our understanding of the properties of materials, from drugs and proteins to catalysts and ceramics, is almost always based on structural information. This book describes the new developments in the realm of powder diffraction which make it possible for scientists to obtain such information even from polycrystalline materials. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.
Download or read book Structure Determination by X Ray Crystallography written by M. F. C. Ladd and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crystallography may be described as the science of the structure of materi als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain mathematical results are assumed in order that their applications may be discussed. At the end of each chapter, a short bibliog raphy is given, which may be used to extend the scope of the treatment given here. In addition, reference is made in the text to specific sources of information. We have chosen not to discuss experimental methods extensively, as we consider that this aspect of crystallography is best learned through practical experience, but an attempt has been made to simulate the interpretive side of experimental crystallography in both examples and exercises.
Download or read book Crystal Structure Analysis for Chemists and Biologists written by Jenny P. Glusker and published by John Wiley & Sons. This book was released on 1996-12-17 with total page 876 pages. Available in PDF, EPUB and Kindle. Book excerpt: Anhand verschiedener Beispiele zeigen die Autoren die Bedeutung der Kristallographie für Chemie und Biochemie auf und bieten somit eine gute Zusammenfassung der allgemeinen Prinzipien der Kristallstrukturanalyse. Zum einen sollen Interessierte, die diese Methode nicht selbst durchführen, in die Lage versetzt werden, deren Ergebnisse zu interpretieren. Zum anderen wird dem Leser deutlich gemacht, welche Bedeutung die ungeheure Datenmenge, die sich aus dieser Methode ergibt, einerseits für die Chemie sowie andererseits für die Biochemie hat. Das Buch ist verständlich geschrieben und mit zahlreichen Abbildungen versehen. Durch die Darstellung der Kristallstrukturanalyse im Vergleich zu anderen Methoden ist das Werk auch besonders für fortgeschrittene Studenten geeignet, die sich mit der Kristallographie vertraut machen wollen.
Download or read book Carboranes written by Russell N. Grimes and published by Academic Press. This book was released on 2016-08-09 with total page 1060 pages. Available in PDF, EPUB and Kindle. Book excerpt: Carboranes, Third Edition, by Russell Grimes, is the definitive resource on the subject. Completely updated with a wealth of research and review articles published in this active field since the previous volume was released in 2011, the book provides a readable and concise introduction to the basic principles underlying the synthesis, structures, and reactions of carboranes, heterocarboranes, and metallacarboranes. Following the valuable foundational information, the book explores the advances in practical applications for the many areas in which experts have discovered that carboranes afford new possibilities for solving problems and advancing the science. These disciplines include polymer science, catalysis, biomedicine, nanomaterials, and others. - Winner of a 2017 Textbook Excellence Award (Texty) from the Textbook and Academic Authors Association - Includes over 2,000 molecular structure drawings throughout the text - Features expanded coverage on applications of carboranes, particularly in biomedicine and nanomaterials, given the growth of research in these areas - Presents extended and updated tables, listing thousands of compounds with key literature references, provided online via the book's website - Explores the advances in practical applications for the many areas in which experts have discovered that carboranes afford new possibilities for solving problems and advancing the science
Download or read book Fundamentals of Powder Diffraction and Structural Characterization of Materials Second Edition written by Vitalij Pecharsky and published by Springer Science & Business Media. This book was released on 2008-11-24 with total page 751 pages. Available in PDF, EPUB and Kindle. Book excerpt: A little over ?ve years have passed since the ?rst edition of this book appeared in print. Seems like an instant but also eternity, especially considering numerous developments in the hardware and software that have made it from the laboratory test beds into the real world of powder diffraction. This prompted a revision, which had to be beyond cosmetic limits. The book was, and remains focused on standard laboratory powder diffractometry. It is still meant to be used as a text for teaching students about the capabilities and limitations of the powder diffraction method. We also hope that it goes beyond a simple text, and therefore, is useful as a reference to practitioners of the technique. The original book had seven long chapters that may have made its use as a text - convenient. So the second edition is broken down into 25 shorter chapters. The ?rst ?fteen are concerned with the fundamentals of powder diffraction, which makes it much more logical, considering a typical 16-week long semester. The last ten ch- ters are concerned with practical examples of structure solution and re?nement, which were preserved from the ?rst edition and expanded by another example – R solving the crystal structure of Tylenol .
Download or read book Theory and Practice of Direct Methods in Crystallography written by M. F. C. Ladd and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Direct methods of crystal structure determination are usually associated with techniques in which phases for a set of structure factors are determined from the corresponding experimental amplitudes by probabilistic calcula tions. It is thus implied that such ab initio phase calculations do not require a knowledge of atomic positions, and this basis distinguishes direct methods from other techniques for structure determination. An acceptably wider interpretation of the term direct methods leads to other important applica tions involving, inter alia, the use of heavy atoms, resolution-limited phase data for large molecules, rotation functions, and Fourier series. These topics are discussed in the later chapters of this book. Although some earlier theoretical investigations were made by Harker and Kaspar, direct methods may be considered to have begun around the year 1950. Important landmarks in the development of the subject include the book by Hauptmann and Karle, The Centrosymmetric Crystal (1953), the definitive paper by Karle and Karle in Acta Crystallographica (1966), and the recent (1978) sophisticated program package MULTAN 78 produced mainly by Germain, Main, and Woolfson. Woolfson's book, Direct Methods in Crystallography, was published in 1961, but because of the rapid progress in direct methods, much of it soon became outmoded. It is interesting to note that direct methods nearly came into being many years earlier. Certainly the E2 relationship was used implicitly by Lonsdale in 1928 in determining the crystal structure of hexamethylbenzene.
Download or read book Direct Methods for Solving Macromolecular Structures written by S. Fortier and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 505 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book of the proceedings of the 1997 NATO Advanced Study Institute (ASI) on Direct Methods for Solving Macromolecular Structures was assembled from the lecturers' contributions and represents a comprehensive and in-depth overview of crystallographic structure determination methods for macromolecules. While having a focus based on the direct methods, the Institute adopted an inclusive and broad perspective. Thus, both direct and experimental phasing techniques are presented in this book, highlighting their complementarities and synergies. As weil, methodologies spanning the full crystallographic image reconstruction process - from low resolution envelope definition to high resolution atomic refinement- are discussed. The first part of the book introduces the array of tools currently used in structure determination, whether originating from a mathematical, computational or experimental framework. This section of the book displays the variety and ingenuity of old and new phasing approaches developed to solve increasingly complex structures. Some of the contributions focus on recent developments and/or implementations that have given older approaches a new life. A case in point is the re-implementation of Buerger's superposition approach, which is now solving protein structures. Another beautiful example is found in the introduction to the traditional multiple isomorphous replacement approach where new techniques, such as site-directed mutagenesis and the use of inert gases in the preparation of heavy atom derivatives, are described. Equally impressive are the presentations of newer approaches, which take advantage of advances on the experimental front (e. g.
Download or read book Crystal Structure Analysis written by Jenny Pickworth Glusker and published by Oxford University Press. This book was released on 2010-05-27 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Crystal Structure Analysis written by Alexander J Blake and published by Oxford University Press. This book was released on 2009-06-18 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book An Introduction to X ray Crystallography written by Michael M. Woolfson and published by Cambridge University Press. This book was released on 1997-01-13 with total page 422 pages. Available in PDF, EPUB and Kindle. Book excerpt: A textbook for the student beginning a serious study of X-ray crystallography.
Download or read book Science of Crystal Structures written by Istvan Hargittai and published by Springer. This book was released on 2015-09-09 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: A volume which includes entries on quasicrystals, icosahedral packing, other packing considerations, extended structures, data treatment and data mining is presented by luminaries from the crystallography community. Several of the contributions are from the schools of such trend-setting crystallographers as J. Desmond Bernal and Aleksandr I. Kitaigorodskii. Internationally renowned scientists contributed such as Tom L. Blundell, Johann Jacob Burckhardt, John L. Finney, Jenny P. Glusker, Nobel laureate Herbert A. Hauptman, the 2014 Ewald-Prize winner A. Janner, Aminoff-Prize winner Isabella Karle, Nobel laureate Jerome Karle, Buckley-Prize winner Alan L. Mackay, Ewald-Prize winner David Sayre, Vladimir Shevchenko, and J. Fraser Stoddart. A few frontier topics dominate the selected material. Pioneers of the direct methods describe the phase problem and how it was solved, including the mathematical approach and the utilization of experience with gas-phase electron diffraction. The reviews by Herbert Hauptman, Jerome and Isabella Karle, and David Sayre reach to the present day in assessing the possibilities of X-ray crystallography. Another focus topic is the investigation of systems that are outside the so-called classical system of crystals. They include quasicrystals, imperfect and very small crystals, supramolecular species, crystal structures without lattice, clusters, nanomaterials among others. Application of synchrotron and cryoprotection techniques, the free-electron laser flash technique and others are mentioned in addition to X-ray crystallography. The relationship between structural and materials properties are examined and uncovered. The broader topics of the so-called generalized crystallography include polymers, clusters, polydisperse chain assemblies, and giant icosahedral fullerenes. There are some key contributions related to the structural investigation of biological macromolecules.
Download or read book Crystal Structure Determination written by Werner Massa and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 211 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Direct Methods Macromolecular Crystallography And Crystallographic Statistics Proceedings Of Winter School written by H Schenk and published by World Scientific. This book was released on 1987-02-01 with total page 441 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vasopressin is a hormone which has an increasingly important profile. Not only does it play a physiologically significant role in renal water regulation but it also has other renal actions and plays a role in overall cardiovascular control. Even more interesting is the recent growing interest in its potential effects on the brain, notably its influence on specific behaviours.This monograph about the polypeptide vasopressin covers all aspects relating to the production, control of release, and actions of this molecule within the body, including its roles as a hormone and as a central neurotransmitter. A consideration of the evolution of the molecule across the species and a brief historical perspective are also included. Clinical conditions associated with hypo- and hyper-production states are considered together with aspects of treatment, in addition to other clinical correlates./a
Download or read book Crystallography written by Anthony Michael Glazer and published by Oxford University Press. This book was released on 2016 with total page 169 pages. Available in PDF, EPUB and Kindle. Book excerpt: A long history -- Symmetry -- Crystal structures -- Diffraction -- Seeing atoms -- Sources of radiation
Download or read book Crystal Structure Analysis written by Jenny Pickworth Glusker and published by OUP Oxford. This book was released on 2010-05-27 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book aims to explain how and why the detailed three-dimensional architecture of molecules can be determined by an analysis of the diffraction patterns obtained when X rays or neutrons are scattered by the atoms in single crystals. Part 1 deals with the nature of the crystalline state, diffraction generally, and diffraction by crystals in particular, and, briefly, the experimental procedures that are used. Part II examines the problem of converting the experimentally obtained data into a model of the atomic arrangement that scattered these beams. Part III is concerned with the techniques for refining the approximate structure to the degree warranted by the experimental data. It also describes the many types of information that can be learned by modern crystal structure analysis. There is a glossary of terms used and several appendixes to which most of the mathematical details have been relegated.
Download or read book Crystal Structure Refinement written by Peter Muller and published by OUP Oxford. This book was released on 2006-07-13 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crystal Structure Refinement is a mixture of textbook and tutorial. As A Crystallographers Guide to SHELXL it covers advanced aspects of practical crystal structure refinement, which have not been much addressed by textbooks so far. After an introduction to SHELXL in the first chapter, a brief survey of crystal structure refinement is provided. Chapters three and higher address the various aspects of structure refinement, from the treatment of hydrogen atoms to the assignment of atom types, to disorder, to non-crystallographic symmetry and twinning. One chapter is dedicated to the refinement of macromolecular structures and two short chapters deal with structure validation (one for small molecule structures and one for macromolecules). In each of the chapters the book gives refinement examples, based on the program SHELXL, describing every problem in detail. It comes with a CD-ROM with all files necessary to reproduce the refinements.
