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Structures and Structure Determination

Authored by renowned experts, the contributions will be grouped together topically in such a way that each volume of the book series will be dealing with a specific sub-field.

Author : Hellmut G. Karge

Release : 2003-07-01

Publisher : Springer

ISBN : 3540697497

File Size : 67.66 MB

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Molecular Sieves - Science and Technology will cover, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. Authored by renowned experts, the contributions will be grouped together topically in such a way that each volume of the book series will be dealing with a specific sub-field. Volume 2 covers both the description of the various, complementary techniques for structure determination of microporous and mesoporous matter and their applications illustrated by a large number of pertinent examples. It also deals with general aspects of structures and structure distortions of microporous materials. In summary, Volume 2 provides the researchers in the field of zeolites and related materials with the indispensable knowledge of the great potential of modern methods for structure analysis.

Structure Determination by X-ray Crystallography

I was highly flattered when I was asked by Mark Ladd and Rex Palmer if I would write the Foreword to this Fourth Edition of their book.

Author : Mark F.C. Ladd

Release : 2012-12-06

Publisher : Springer Science & Business Media

ISBN : 1461501016

File Size : 25.73 MB

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I was highly flattered when I was asked by Mark Ladd and Rex Palmer if I would write the Foreword to this Fourth Edition of their book. "Ladd & Palmer" is such a well-known and classic book on the subject of crystal structure determination, one of the standards in the field: I did feel daunted by the prospect, and wondered if I could do justice to it. The determination of crystal structures by X-ray crystallography has come a long way since the 1912 discoveries of von Laue and the Braggs. In the intervening years great advances have been made, so that today it is almost taken for granted that crystal structures can be determined in which hundreds, if not thousands, of sepa rate atomic positions can be found with apparent ease. In the early years the struc tures of relatively simple materials, such as the alkali halides, were often argued over and even disputed, whereas today we routinely see published structures of most complex molecular crystals, including the structures of viruses and proteins.

Protein Structure

This text offers in-depth perspectives on every aspect of protein structure identification, assessment, characterization, and utilization, for a clear understanding of the diversity of protein shapes, variations in protein function, and ...

Author : Daniel Chasman

Release : 2003-03-18

Publisher : CRC Press

ISBN : 0824748166

File Size : 62.26 MB

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This text offers in-depth perspectives on every aspect of protein structure identification, assessment, characterization, and utilization, for a clear understanding of the diversity of protein shapes, variations in protein function, and structure-based drug design. The authors cover numerous high-throughput technologies as well as computational methods to study protein structures and residues. A valuable reference, this book reflects current trends in the effort to solve new structures arising from genome initiatives, details methods to detect and identify errors in the prediction of protein structural models, and outlines challenges in the conversion of routine processes into high-throughput platforms.

Determination of Organic Structures by Physical Methods

The book then examines ultraviolet and visible light absorption, infrared light absorption, Raman spectra, and the theory of magnetic susceptibility.

Author : E. A. Braude

Release : 2013-10-22

Publisher : Elsevier

ISBN : 1483275728

File Size : 71.26 MB

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Determination of Organic Structures by Physical Methods, Volume 1 focuses on the processes, methodologies, principles, and approaches involved in the determination of organic structures by physical methods, including infrared light absorption, thermodynamic properties, Raman spectra, and kinetics. The selection first elaborates on the phase properties of small molecules, equilibrium and dynamic properties of large molecules, and optical rotation. Discussions focus on simple acyclic compounds, carbohydrates, steroids, diffusion, viscosity, osmotic pressure, sedimentation velocity, melting and boiling points, and molar volume. The book then examines ultraviolet and visible light absorption, infrared light absorption, Raman spectra, and the theory of magnetic susceptibility. Concerns cover applications to the study of organic compounds, applications to the determination of structure, determination of thermodynamic properties, and experimental methods and evaluation of data. The text ponders on wave-mechanical theory, reaction kinetics, and dissociation constants, including dissociation of molecular addition compounds, principles of reaction kinetics, and valence-bond treatment of aromatic systems. The selection is a valuable source of data for researchers interested in the determination of organic structures by physical methods.

Structure Determination by X-Ray Crystallography

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.

Author : R.A. Palmer

Release : 2012-12-06

Publisher : Springer Science & Business Media

ISBN : 1461579392

File Size : 43.89 MB

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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 develop ments 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 experienced both as research workers themselves and as teachers of standing, and this is shown in their clarity of exposition. There are plenty of iliustrations and worked examples to aid the student to obtain a real grasp of the subject.

Organic Structure Determination Using 2-D NMR Spectroscopy

"The second edition of this book comes with a number of new figures, passages, and problems.

Author : Jeffrey H. Simpson

Release : 2012

Publisher : Academic Press

ISBN : 0123849705

File Size : 46.93 MB

Format : PDF

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"The second edition of this book comes with a number of new figures, passages, and problems. Increasing the number of figures from 290 to 448 has necessarily added considerable length, weight, and, expense. It is my hope that the book has not lost any of its readability and accessibility. I firmly believe that most of the concepts needed to learn organic structure determination using nuclear magnetic resonance spectroscopy do not require an extensive mathematical background. It is my hope that the manner in which the material contained in this book is presented both reflects and validates this belief"--

Accurate Molecular Structures

Such precisions are meaningful only if they are coupled with rigorous error analysis and careful evaluation ofthe physical meaning of the parameters.Here, internationally respected authors present all modern experimental and computational ...

Author : Professor of Structural Chemistry Aldo Domenicano

Release : 1992

Publisher : Oxford University Press on Demand

ISBN : 9780198555568

File Size : 86.4 MB

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Modern experimental and computational techniques are capable of determining bond lengths and angles with precisions of a few thousandths of an angstrom and a few tenths of a degree. Such precisions are meaningful only if they are coupled with rigorous error analysis and careful evaluation ofthe physical meaning of the parameters. Here, internationally respected authors present all modern experimental and computational techniques for the determination of accurate molecular structures for the first time in one volume. They establish guidelines for accuracy requirements in answering broadly varying questions in currentchemical research.

Bioactive Natural Products Detection, Isolation, and Structural Determination

GENERAL STRATEGY FOR THE STRUCTURE DETERMINATION OF
SAPONINS : MOLLUSCICIDAL SAPONINS FROM ALLIUM VINEALE Shaoxing
Chen and John K. Snyder TABLE OF CONTENTS I. Introduction ............. 350 II .
General ...

Author : Steven M. Colegate

Release : 1993-09-29

Publisher : CRC Press

ISBN : 9780849343728

File Size : 52.52 MB

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Bioactive Natural Products covers all the aspects of bioactive natural product research from ethnobotanical investigations to modern, technologically assisted isolation and structural determination of active compounds. An internationally selected group of experts share their knowledge of a wide range of bioactivities and chemical compound classes. Topics in the chapters describing the modern application of detection, isolation, and structural determination techniques are strongly supported by chapters detailing and reviewing research involving various classes of bioactivity. Research areas include the immunomodulatory, antiviral, cytotoxic, anti-inflammatory, and insect behavior classes of bioactivity. Extensive referencing throughout the text is helpful to those readers not familiar with this subject and serves as a critical review for more experienced researchers. The book is also excellent for upper division or post-graduate courses.

Crystal Structure Determination

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.

Author : Werner Massa

Release : 2010-08-13

Publisher : Springer Science & Business Media

ISBN : 9783540206446

File Size : 84.27 MB

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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.

Foundations of Molecular Structure Determination

Foundations of Molecular Structure Determination gives a broad introduction to a range of common spectroscopic and diffraction methods, with frequent worked examples and problem questions provided to assist beginning undergraduates in ...

Author : Simon Duckett

Release : 2015-05-01

Publisher : Oxford University Press, USA

ISBN : 019968944X

File Size : 74.39 MB

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The renowned Oxford Chemistry Primer 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 thetexts show the relevance of the chemistry being described to current research and industry. Foundations of Molecular Structure Determination covers a range of commonspectroscopic and diffraction methods alongside frequent worked examples and problem questions to assist beginning undergraduates in developing their skills in structure analysis.

Membrane Protein Structure Determination

Divided into five convenient sections, the book covers various strategies to purify membrane proteins, approaches to get three dimensional crystals and solve the structure by x-ray diffraction, possibilities to gain structural information ...

Author : Jean-Jacques Lacapère

Release : 2010-08-06

Publisher : Humana

ISBN :

File Size : 67.2 MB

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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. --

Macromolecular Crystallography Protocols

In the decade since publication of the first edition this book, the field has seen several major developments.

Author : Sylvie Doublié

Release : 2007

Publisher : Springer Science & Business Media

ISBN : 1597452661

File Size : 45.71 MB

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In the decade since publication of the first edition this book, the field has seen several major developments. These developments have both accelerated the pace of structure determination and made crystallography accessible to a broader range of investigators. Volume I is dedicated to crystallization and ways to increase the odds of obtaining crystals in macromolecules. Volume 2 covers both computational methods for characterizing crystals and solving structures.

Organic Structure Determination

Part 1 : Physical methods of separation, purification, and characterization -- Separation and purification -- Physical characterization -- Part 2 : Adsorption spectroscopy -- Ultraviolet spectroscopy -- Infrared spectroscopy -- Nuclear ...

Author : Daniel J. Pasto

Release : 1969

Publisher : Prentice Hall

ISBN : 9780136408543

File Size : 79.92 MB

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Part 1 : Physical methods of separation, purification, and characterization -- Separation and purification -- Physical characterization -- Part 2 : Adsorption spectroscopy -- Ultraviolet spectroscopy -- Infrared spectroscopy -- Nuclear magnetic resonance -- Electron paramagnetic resonance -- Determination of absolute stereochemistry -- Mass spectrometry -- Part 3 : Identification of organic compounds -- Characterization of an unknown compound -- Classification by solubility and acid-base properties -- Qualitative and quantitative elemental analyses -- Functional group classification and characterization -- Searching the literature -- Problems.

Determination of Organic Structures by Physical Methods

The historical developments, instrumentation, and applications to organic chemistry of these methods are discussed. This work will be of value to organic and analytical chemists and researchers.

Author : F.C. Nachod

Release : 2012-12-02

Publisher : Elsevier

ISBN : 032314845X

File Size : 65.16 MB

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Determination of Organic Structures by Physical Methods, Volume 3 is a seven-chapter text that describes the refinements of some established physical methods for organic structure determination. Each chapter of this book examines specific physical method, including photoelectron spectroscopy, X-ray diffraction, optical rotary dispersion, circular dichroism, mass spectrometry, and electron spin resonance and NMR spectroscopies. The historical developments, instrumentation, and applications to organic chemistry of these methods are discussed. This work will be of value to organic and analytical chemists and researchers.

NMR in Structural Biology

J . Mol . Biol . ( 1984 ) 180 , 715 - 740 Polypeptide Secondary Structure
Determination by Nuclear Magnetic Resonance Observation of Short Proton -
Proton Distances KURT WÜTHRICH , MARTIN BILLETER AND WERNER
BRAUN Institut für ...

Author : Kurt Wthrich

Release : 1995

Publisher : World Scientific

ISBN : 9789810223847

File Size : 20.53 MB

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The volume presents a survey of the research by Kurt Wthrich and his associates during the period 1965 to 1994. A selection of reprints of original papers on the use of NMR spectroscopy in structural biology is supplemented with an introduction, which outlines the foundations and the historical development of the use of NMR spectroscopy for the determination of three-dimensional structures of biological macromolecules in solution. The original papers are presented in groups highlighting protein structure determination by NMR, studies of dynamic properties and hydration of biological macromolecules, and practical applications of the NMR methodology in fields such as enzymology, transcriptional regulation, immunosuppression and protein folding.

Challenges in Molecular Structure Determination

Taking a problem-based approach, the authors provide a practice-oriented and systematic introduction to both organic and inorganic structure determination by spectroscopic methods.

Author : Manfred Reichenbächer

Release : 2012-03-22

Publisher : Springer Science & Business Media

ISBN : 3642243908

File Size : 86.59 MB

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Taking a problem-based approach, the authors provide a practice-oriented and systematic introduction to both organic and inorganic structure determination by spectroscopic methods. This includes mass spectrometry, vibrational spectroscopies, UV/VIS spectroscopy and NMR as well as applying combinations of these methods. The authors show how to elucidate chemical structures with a minimal number of spectroscopic techniques. Readers can train their skills by more than 400 problems with varying degree of sophistication. Interactive Powerpoint-Charts are available as Extra Materials to support self-study.

Structure Determination from Powder Diffraction Data

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.

Author : William I. F. David

Release : 2002

Publisher : Oxford University Press on Demand

ISBN : 0198500912

File Size : 76.86 MB

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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.

Determination of Organic Structures by Physical Methods

285 II. Structure Determination of Alkanes with Monomethyl Side Chain . . . . . 286
III. Structure Determination of Oligopeptides . 289 IV. Structure Determination of
Aliphatic Ketones . 293 V. Structure Determination of Aliphatic Ethers . 299 VI.

Author : F.C. Nachod

Release : 2012-12-02

Publisher : Elsevier

ISBN : 0323152848

File Size : 77.66 MB

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Determination of Organic Structures by Physical Methods, Volume 5 is a seven-chapter text that discusses the improvements of some established physical methods for organic structure determination. Each chapter of this book examines specific physical method, including electron diffraction, spin saturation labeling, chemically and electro-magnetically induced dynamic nuclear polarization, ion cyclotron resonance spectroscopy, nuclear quadrupole resonance, Mössbauer spectroscopy, and automated analysis systems. The historical developments, principles, instrumentation, and applications to organic chemistry of these methods are discussed. This work will be of value to organic and analytical chemists and researchers.

Structure Elucidation in Organic Chemistry

Intended for advanced readers, this is a review of all relevant techniques for structure analysis in one handy volume.

Author : Maria-Magdalena Cid

Release : 2015-04-20

Publisher : John Wiley & Sons

ISBN : 3527333363

File Size : 21.76 MB

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Intended for advanced readers, this is a review of all relevant techniques for structure analysis in one handy volume. As such, it provides the latest knowledge on spectroscopic and related techniques for chemical structure analysis, such as NMR, optical spectroscopy, mass spectrometry and X-ray crystallography, including the scope and limitation of each method. As a result, readers not only become acquainted with the techniques, but also the advantages of the synergy between them. This enables them to choose the correct analytical method for each problem, saving both time and resources. Special emphasis is placed on NMR and its application to absolute configuration determination and the analysis of molecular interactions. Adopting a practical point of view, the author team from academia and industry guarantees both solid methodology and applications essential for structure determination, equipping experts as well as newcomers with the tools to solve any structural problem.