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With the most comprehensive and up-to-date overview of structure-based drug discovery covering both experimental and computational approaches, Structural Biology in Drug Discovery: Methods, Techniques, and Practices describes principles, methods, applications, and emerging paradigms of structural biology as a tool for more efficient drug development. Coverage includes successful examples, academic and industry insights, novel concepts, and advances in a rapidly evolving field. The combined chapters, by authors writing from the frontlines of structural biology and drug discovery, give readers a valuable reference and resource that: Presents the benefits, limitations, and potentiality of major techniques in the field such as X-ray crystallography, NMR, neutron crystallography, cryo-EM, mass spectrometry and other biophysical techniques, and computational structural biology Includes detailed chapters on druggability, allostery, complementary use of thermodynamic and kinetic information, and powerful approaches such as structural chemogenomics and fragment-based drug design Emphasizes the need for the in-depth biophysical characterization of protein targets as well as of therapeutic proteins, and for a thorough quality assessment of experimental structures Illustrates advances in the field of established therapeutic targets like kinases, serine proteinases, GPCRs, and epigenetic proteins, and of more challenging ones like protein-protein interactions and intrinsically disordered proteins
Magnetic Small-Angle Neutron Scattering provides the first extensive treatment of magnetic small-angle neutron scattering (SANS). The theoretical background required to compute magnetic SANS cross sections and correlation functions related to long-wavelength magnetization structures is laidout. The concepts are scrutinized based on the discussion of experimental neutron data. Regarding prior background knowledge, some familiarity with the basic magnetic interactions and phenomena as well as scattering theory is desired.Besides exposing the different origins of magnetic SANS, and furnishing the basics of the magnetic SANS technique in early chapters, a large part of the book is devoted to a comprehensive treatment of the continuum theory of micromagnetics, as it is relevant for the study of the elastic magneticSANS cross section. Analytical expressions for the magnetization Fourier components allow to highlight the essential features of magnetic SANS and to analyze experimental data both in reciprocal, as well as in real space. Later chapters provide an overview on the magnetic SANS of nanoparticles andso-called complex systems (e.g., ferrofluids, magnetic steels, spin glasses and amorphous magnets). It is this subfield where major progress is expected to be made in the coming years, mainly via the increased usage of numerical micromagnetic simulations (Chapter 7), which is a very promisingapproach for the understanding of the magnetic SANS from systems exhibiting nanoscale spin inhomogeneity.
Small-angle scattering of X rays and neutrons is a widely used diffraction method for studying the structure of matter. This method of elastic scattering is used in various branches of science and technology, includ ing condensed matter physics, molecular biology and biophysics, polymer science, and metallurgy. Many small-angle scattering studies are of value for pure science and practical applications. It is well known that the most general and informative method for investigating the spatial structure of matter is based on wave-diffraction phenomena. In diffraction experiments a primary beam of radiation influences a studied object, and the scattering pattern is analyzed. In principle, this analysis allows one to obtain information on the structure of a substance with a spatial resolution determined by the wavelength of the radiation. Diffraction methods are used for studying matter on all scales, from elementary particles to macro-objects. The use of X rays, neutrons, and electron beams, with wavelengths of about 1 A, permits the study of the condensed state of matter, solids and liquids, down to atomic resolution. Determination of the atomic structure of crystals, i.e., the arrangement of atoms in a unit cell, is an important example of this line of investigation.
This book provides a comprehensive and up-to-date introduction to the fundamental theory and applications of slow-neutron scattering.
Inelastic neutron scattering (INS) is a spectroscopic technique in which neutrons are used to probe the dynamics of atoms and molecules in solids and liquids. This book is the first, since the late 1960s, to cover the principles and applications of INS as a vibrational-spectroscopic technique. It provides a hands-on account of the use of INS, concentrating on how neutron vibrational spectroscopy can be employed to obtain chemical information on a range of materials that are of interest to chemists, biologists, materials scientists, surface scientists and catalyst researchers. This is an accessible and comprehensive single-volume primary text and reference source.
This is the first comprehensive account of diffuse neutron scattering, a unique tool for determining structural disorder in solids. The text takes the reader through theoretical, computational and experimental developments in the subject and describes in detail its application to a number of structural disorder problems. These include the more traditional subjects of substitutional disorder in alloys and orientational disorder in molecular systems as well as the more recent studies of superior and framework materials. Particular emphasis is placed on recent refinement methods for data interpretation and these are compared with established computer simulation techniques and analytical approaches. The book collects disparate themes into one unique volume, which is written as an introduction to the methods for graduate scientist and as a valuable reference or the expert crystallographer who wishes to apply modern interpretative techniques to diffuse scattering data.
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The progress in polymer science is revealed in the chapters of Polymer Science: A Comprehensive Reference, Ten Volume Set. In Volume 1, this is reflected in the improved understanding of the properties of polymers in solution, in bulk and in confined situations such as in thin films. Volume 2 addresses new characterization techniques, such as high resolution optical microscopy, scanning probe microscopy and other procedures for surface and interface characterization. Volume 3 presents the great progress achieved in precise synthetic polymerization techniques for vinyl monomers to control macromolecular architecture: the development of metallocene and post-metallocene catalysis for olefin polymerization, new ionic polymerization procedures, and atom transfer radical polymerization, nitroxide mediated polymerization, and reversible addition-fragmentation chain transfer systems as the most often used controlled/living radical polymerization methods. Volume 4 is devoted to kinetics, mechanisms and applications of ring opening polymerization of heterocyclic monomers and cycloolefins (ROMP), as well as to various less common polymerization techniques. Polycondensation and non-chain polymerizations, including dendrimer synthesis and various "click" procedures, are covered in Volume 5. Volume 6 focuses on several aspects of controlled macromolecular architectures and soft nano-objects including hybrids and bioconjugates. Many of the achievements would have not been possible without new characterization techniques like AFM that allowed direct imaging of single molecules and nano-objects with a precision available only recently. An entirely new aspect in polymer science is based on the combination of bottom-up methods such as polymer synthesis and molecularly programmed self-assembly with top-down structuring such as lithography and surface templating, as presented in Volume 7. It encompasses polymer and nanoparticle assembly in bulk and under confined conditions or influenced by an external field, including thin films, inorganic-organic hybrids, or nanofibers. Volume 8 expands these concepts focusing on applications in advanced technologies, e.g. in electronic industry and centers on combination with top down approach and functional properties like conductivity. Another type of functionality that is of rapidly increasing importance in polymer science is introduced in volume 9. It deals with various aspects of polymers in biology and medicine, including the response of living cells and tissue to the contact with biofunctional particles and surfaces. The last volume is devoted to the scope and potential provided by environmentally benign and green polymers, as well as energy-related polymers. They discuss new technologies needed for a sustainable economy in our world of limited resources. Provides broad and in-depth coverage of all aspects of polymer science from synthesis/polymerization, properties, and characterization methods and techniques to nanostructures, sustainability and energy, and biomedical uses of polymers Provides a definitive source for those entering or researching in this area by integrating the multidisciplinary aspects of the science into one unique, up-to-date reference work Electronic version has complete cross-referencing and multi-media components Volume editors are world experts in their field (including a Nobel Prize winner)
Neutron Crystallography in Structural Biology, Volume 634, the latest volume in the Methods in Enzymology series, continues the legacy of this premier serial with quality chapters authored by leaders in the field. Chapters in this updated release include Fundamentals of neutron crystallography in structural biology, Large crystal growth for neutron protein crystallography, Prospects for membrane protein crystals in NMX, IMAGINE: The neutron protein crystallography beamline at the high flux isotope reactor, The macromolecular neutron diffractometer at the spallation neutron source, Current status and near future plan of neutron protein crystallography at J-PARC, Neutron macromolecular crystallography at the European spallation source, and much more.
Failures or forced shutdowns in power plants are often due to boilers, and particularly failure of boiler tubes. This comprehensive resource deals with the subject of failure investigation of boiler tubes from basic fundamentals to practical applications. Coverage includes properties and selection of materials for boiler tubes from a metallurgical view point, damage mechanisms responsible for failure of boiler tubes, and characterization techniques employed for investigating failures of boiler tubes in thermal power plants and utility boilers of industrial/commercial/institutional (ICI) boilers. A large number of case studies based on the actual failures from the field are described, along with photographs and microstructures to allow for easy comprehension of the theory behind the failures. This book is geared to practicing engineers and for studies in the major area of power plant engineering. For non-metallurgists, a chapter has been devoted to the basics of material science, metallurgy of steels, heat treatment, and structure-property correlation. A chapter on materials for boiler tubes covers composition and application of different grades of steels and high temperature alloys currently in use as boiler tubes and future materials to be used in supercritical, ultra-supercritical and advanced ultra-supercritical thermal power plants. A comprehensive discussion on different mechanisms of boiler tube failure is the heart of the book. Additional chapters detailing the role of advanced material characterization techniques in failure investigation and the role of water chemistry in tube failures are key contributions to the book. The authors have long-standing experience in the field of metallurgy and materials technology, failure investigation, remaining life assessment (RLA) and fitness for service (FFS) for industrial plant and equipment, including power plants. They have conducted a large number of failure investigations of boiler tubes and have recommended effective remedial measures in problem solving for power and utility boilers.