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Reactive Intermediates
During the last two decades there has been considerable growth in the development of electrospray ionization mass spectrometry (ESI-MS) as a practical method in the study of reaction mechanisms. This method allows the interception and characterization of key intermediates, either as transient species or as protonated/deprotonated forms of neutral species by API-MS. The outstanding features and advantages of ESI-MS make it one of the most suitable tools for the fast screening of intermediates directly from solution, providing hitherto unavailable chemical information to organic chemists. This monograph provides an overview of the mechanisms involved in ESI-MS, the historical perspectives before looking further in-depth at specific reactions and intermediates. Written by researchers in the field, this book is an unique resource for the understanding of this cutting-edge technique.
Mass Spectrometry in Medicinal Chemistry
This first overview of mass spectrometry-based pharmaceutical analysis is the key to improved high-throughput drug screening, rational drug design and analysis of multiple ligand-target interactions. The ready reference opens with a general introduction to the use of mass spectrometry in pharmaceutical screening, followed by a detailed description of recently developed analytical systems for use in the pharmaceutical laboratory. Applications range from simple binding assays to complex screens of biological activity and systems containing multiple targets or ligands -- all highly relevant techniques in the early stages in drug discovery, from target characterization to hit and lead finding.
Atmospheric Chemistry and Physics
Thoroughly restructured and updated with new findings and new features The Second Edition of this internationally acclaimed text presents the latest developments in atmospheric science. It continues to be the premier text for both a rigorous and a complete treatment of the chemistry of the atmosphere, covering such pivotal topics as: * Chemistry of the stratosphere and troposphere * Formation, growth, dynamics, and properties of aerosols * Meteorology of air pollution * Transport, diffusion, and removal of species in the atmosphere * Formation and chemistry of clouds * Interaction of atmospheric chemistry and climate * Radiative and climatic effects of gases and particles * Formulation of ma...
Unimolecular Reactions
This textbook covers the basics necessary for understanding the statistical theory of unimolecular reactions in its original and variational, phase-space and angular momentum-conserved incarnations. Because the emphasis is on "why" rather than "how to", there are many problems and answers to explore further. The book is targeted at graduate and advanced undergraduate students studying chemical dynamics, chemical kinetics and theoretical chemistry.
Natural Products Analysis
This book highlights analytical chemistry instrumentation and practices applied to the analysis of natural products and their complex mixtures, describing techniques for isolating and characterizing natural products. • Applies analytical techniques to natural products research – an area of critical importance to drug discovery • Offers a one-stop shop for most analytical methods: x-ray diffraction, NMR analysis, mass spectrometry, and chemical genetics • Includes coverage of natural products basics and highlights antibacterial research, particularly important as efforts to combat drug resistance gain prominence • Covers instrumental techniques with enough detail for both current practitioners and beginning researchers
Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion
Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion, Volume 45, gives an overview of the different steps involved in the development and application of detailed kinetic mechanisms, mainly relating to pyrolysis and combustion processes. The book is divided into two parts that cover the chemistry and kinetic models and then the numerical and statistical methods. It offers a comprehensive coverage of the theory and tools needed, along with the steps necessary for practical and industrial applications. Details thermochemical properties and "ab initio" calculations of elementary reaction rates Details kinetic mechanisms of pyrolysis and combustion processes Explains experimental data for improving reaction models and for kinetic mechanisms assessment Describes surrogate fuels and molecular reconstruction of hydrocarbon liquid mixtures Describes pollutant formation in combustion systems Solves and validates the kinetic mechanisms using numerical and statistical methods Outlines optimal design of industrial burners and optimization and dynamic control of pyrolysis furnaces Outlines large eddy simulation of turbulent reacting flows
Bioisosteres in Medicinal Chemistry
Written with the practicing medicinal chemist in mind, this is the first modern handbook to systematically address the topic of bioisosterism. As such, it provides a ready reference on the principles and methods of bioisosteric replacement as a key tool in preclinical drug development. The first part provides an overview of bioisosterism, classical bioisosteres and typical molecular interactions that need to be considered, while the second part describes a number of molecular databases as sources of bioisosteric identification and rationalization. The third part covers the four key methodologies for bioisostere identification and replacement: physicochemical properties, topology, shape, and overlays of protein-ligand crystal structures. In the final part, several real-world examples of bioisosterism in drug discovery projects are discussed. With its detailed descriptions of databases, methods and real-life case studies, this is tailor-made for busy industrial researchers with little time for reading, while remaining easily accessible to novice drug developers due to its systematic structure and introductory section.
Coral Reefs of the Red Sea
This volume is a complete review and reference work for scientists, engineers, and students concerned with coral reefs in the Red Sea. It provides an up-to-date review on the geology, ecology, and physiology of coral reef ecosystems in the Red Sea, including data from most recent molecular studies. The Red Sea harbours a set of unique ecological characteristics, such as high temperature, high alkalinity, and high salinity, in a quasi-isolated environment. This makes it a perfect laboratory to study and understand adaptation in regard to the impact of climate change on marine ecosystems. This book can be used as a general reference, guide, or textbook.
Computational Fluid and Solid Mechanics 2003
Bringing together the world's leading researchers and practitioners of computational mechanics, these new volumes meet and build on the eight key challenges for research and development in computational mechanics.Researchers have recently identified eight critical research tasks facing the field of computational mechanics. These tasks have come about because it appears possible to reach a new level of mathematical modelling and numerical solution that will lead to a much deeper understanding of nature and to great improvements in engineering design.The eight tasks are: - The automatic solution of mathematical models - Effective numerical schemes for fluid flows - The development of an effect...
