Carbon Bonding and Structures: Advances in Physics and Chemistry handles the quantification, indexing, and interpretation of the physical and chemical behaviour of carbon in molecules, crystals, and nanosystems. This multi-author volume features cutting edge research and focuses on both inorganic and organic areas of carbon combinations and states modelled from quantum, physical, computational, mathematical, and topological perspectives. The volume begins by proposing the parabolically based energy of the pi-complexes employing the chemical reactivity concepts of electronegativity and chemical hardness, followed by predicting new quantum effects for stiff polymers at ultralow temperatures; it continues with a set of topological and quantum chemical studies dedicated to drifting defects in graphene, endohedral fullerenes, whilst describing the hexagonite synthesis of carbon nanotubes; graph theory is then described in detail with eigenvectors, followed by topological descriptors and statistical applications to organic molecules; advances in the concept of aromaticity - its local and structural forms for conjugated polycyclic systems, the novel coding and ordered rules for benzenoids, the detailed treatment of chirality and stereogenicity demonstrate the organic chemistry theme of the volume; the original mathematical studies dedicated to novel diamond structure and classical fullerenes; intriguing aspects on assessing the chemical hardness and the power of the equalization principle specific to electronegativity as well as their use in modelling the chemo-physical process of protonation are subsequently presented with applications to carbon compounds; the volume finishes with a 3-D minimal topological difference study of aliphatic amine toxicity on biological species and a review explaining how bioresponsive materials and drugs may be designed and synthesized to bridge carbon structures to those based on its analog, silicon. Carbon Bond

Drug Discovery with Privileged Building Blocks traces back PharmaBlock's founding philosophy of designing privileged building blocks. High-quality building blocks are crucial not only to biological activities of different molecules but also to ADMET properties, which eventually will impact the success rate of drug discovery projects. A thorough study of how building blocks perform in drug molecules and a regular analysis of new building block structures in the latest researches have proven to be a fruitful strategy to generate novel building blocks. Using this strategy, PharmaBlock has supplied the drug industry with a great number of building blocks, which are increasingly being adopted by drug hunters, and these are identified in this book. Each chapter may be read and studied without learning the previous chapters. This book will be a good starting point for novice medicinal chemists, and veteran medicinal chemists will find it useful as well. Key Feature The book covers privileged building blocks appearing most frequently on patents for novel drugs. The latest relevant tactics are explained in the context of drug design and medicinal chemistry. Key synthesis, especially large-scale synthesis, is described. The most recent literature references are cited.

Surveys research on organic reaction mechanisms described in the literature dated December 1995 to November 1996. This is the thirty second volume in this highly successful and well respected series that provides a guide to all the most recent developments in organic chemistry.
Each year researchers discover new mechanisms for the synthesis of all types of organic compounds. This volume as in previous years includes such mechanisms as addition and elimination reactions, nucleophilic and electrophilic aromatic substitutions and molecular rearrangements.
Each chapter deals with specific reaction types, reviewing the year's developments in the area and is extensively referenced to previous volumes and primary journals. Author and subject indexes are also provided for rapid searching.

This book offers a new physical chemistry perspective on the control of lipid oxidation reactions by antioxidants, and it further explores the application of several oxidation inhibition strategies on food and biological systems. Divided in 3 parts, the book reviews the latest methods to control lipid oxidation, it examines lipid oxidation and inhibition in different food systems, and it finishes with an overview of the biological, health and nutritional effects of lipid oxidation. Chapters from expert contributors cover topics such as the use of magnetic methods to monitor lipid and protein oxidation, the kinetics and mechanisms of lipid oxidation and antioxidant inhibition reactions, interfacial chemistry, oxidative stress and its impact in human health, nutritional, sensory and physiological aspects of lipid oxidation, and new applications of plant and marine antioxidants. While focused on lipid peroxidation in food and biological systems, the chemistry elucidated in this book is applicable also to toxicology, medicine, plant physiology and pathology, and cosmetic industry. The book will therefore appeal to researchers in the lipid oxidation field covering food, biological and medical areas.

Chirality is a fundamental, persistent, but often overlooked feature of all living organisms on the molecular level as well as on the macroscopic scale. The high degree of preference for only one of two possible mirror image forms in Nature, often called biological homochirality is a puzzling, and not yet fully understood, phenomenon.

This book covers biological homochirality from an interdisciplinary approach - contributions range from synthetic chemists, theoretical topologists and physicists, from palaeontologists and biologists to space scientists and representatives of the pharmaceutical and materials industries.
Topics covered include -
theory of biochirality,
origins of biochirality,
autocatalysis with amplification of chirality,
macroscopic (present) biochirality,
fossil records of chiral organisms - paleochirality,
extraterrestrial origin of chirality,
exceptions to the rule of biological homochirality, D-amino acids,
chemical transfer of chirality,
P effects, and
polarised radiation chemistry.

Phylogenetic presentation of medicinal plants and a chemotaxonomical rationale of antiviral, antibacterial, and antifungal action. Discusses chemical structure-activity relationship, pharmacokinetics, and oral bioavailability of antimicrobial principles Introduces the molecular mechanism of natural products on viruses, bacteria, and fungi. Contains a selection of hand-made botanical plates and useful bibliographic references A useful research tool for postgraduates, academics, and the pharmaceutical, herbal, or nutrition industries.

Design of new processes that avoid the use of toxic reagents has been the focus of intense research of late. Catalysis by metals and non-metals offers diverse opportunities for the development of new organic reactions with promising range of selectivities-chemoselectivity, regioselectivity, diastereoselectivity, and enantioselectivity. Furthermore, these transformations frequently occur under mild conditions, tolerate a broad array of functional groups, and proceed with high stereoselectivity. The area of catalysis is sometimes referred to as a 'foundational pillar' of green chemistry. Catalytic reactions often reduce energy requirements and decrease separations because of increased selectivity; they are also capable of permitting the use of renewable feedstocks of less toxic reagents or minimizing the quantities of reagents needed. New catalytic organic synthesis methodologies have, thus, offered several possibilities for considerable improvement in the eco-compatibility of fine chemical production. Hence, these catalytic methodologies have emerged as powerful tools for the efficient and chemoselective synthesis of heterocyclic molecules. Key Features: Presents the synthesis of different five-membered heterocycles. Contains the most up-to-date information in this fast-moving field. Covers novel catalytic approaches used in the study and application of catalysts in synthetic organic reactions. Presents new methodologies for the synthesis of heterocycles.

This in-depth treatment of the instrumentation, physical bases and applications of x-ray photoelectron spectroscopy (XPS) and static secondary ion mass spectroscopy (SSIMS) contains a specific focus on the subject of polymeric materials. XPS and SSIMS are widely accepted as the two most powerful techniques for polymer surface chemical analysis, particularly in the context of industrial research and problem solving. The author describes the techniques and applications of XPS and SSIMS. He also includes details of case studies, emphasizing the complementary and joint application of XPS and SSIMS in the investigation of polymer surface structure and its relationship to the properties of the material. This book will be of value to academic and industrial researchers interested in polymer surfaces and surface analysis.

The Chemistry of Heterocyclic Compounds, since its inception, has been recognized as a cornerstone of heterocyclic chemistry. Each volume attempts to discuss all aspects - properties, synthesis, reactions, physiological and industrial significance - of a specific ring system. To keep the series up-to-date, supplementary volumes covering the recent literature on each individual ring system have been published. Many ring systems (such as pyridines and oxazoles) are treated in distinct books, each consisting of separate volumes or parts dealing with different individual topics. With all authors are recognized authorities, the Chemistry of Heterocyclic Chemistry is considered worldwide as the indispensable resource for organic, bioorganic, and medicinal chemists.

The nature and directionality of halogen bonding; the sigma hole, by Timothy Clark, Peter Politzer, Jane S. Murray Solid-state NMR study of halogen-bonded adducts, by David Bryce Infrared and Raman measurements of halogen bonding in cryogenic solutions, by Wouter Herrebout Halogen bonding in the gas phase, by Anthony C. Legon Halogen bonding in solution, Mate Erdelyi Unconventional motifs for halogen bonding, by Kari Rissanen Halogen bonding in supramolecular synthesis, Christer Aakeroey Halogen bond in synthetic organic chemistry, Stefan M. Huber Anion recognition in solution via halogen bonding, Mark S. Taylor Anion transport with halogen bonds, by Stefan Matile Halogen bonding in silico drug design, by Pavel Hobza, Kevin Riley Biological halogen bonds: An old dog with new tricks, by P. Shing Ho Principles and applications of halogen bonding in medicinal chemistry, by Frank M. Boeckler Halogen bond in molecular conductors and magnets, by Marc Foumigue Halogen bonding towards design of organic phosphors, by Wei Jun Jin Halogen bond in photoresponsive materials, by Pierangelo Metrangolo, Giuseppe Resnati, Arri Priimagi

The book examines basic principles of the structure and organization of living organisms and their differences from objects of inanimate nature. It covers how a single program-information structure permeates all evolutionary stages of life, including the cell, multicellular organisms and humans. The author explains how this structure is arranged and how it functions, as well as the role of the information system. KEY FEATURES Reviews persistent questions and addresses fundamental themes in biology Provides systematic coverage Includes original insights into basic principles of living organization and structure Demonstrates the applicability of a proposed approach to particular evolutionary grades RELATED TITLES J.W. Schopf, Life in Deep Time: Darwin's "Missing" Fossil Record (ISBN 978-1-138-38549-8) C.H. Waddington, ed., The Origin of Life: Toward a Theoretical Biology (ISBN 978-0-202-36302-8) J. Wiegel, A.W.W. Michael, eds., Thermophiles: The Keys to the Molecular Evolution and the Origin of Life (ISBN 978-0-7484-0747-7)

The book examines basic principles of the structure and organization of living organisms and their differences from objects of inanimate nature. It covers how a single program-information structure permeates all evolutionary stages of life, including the cell, multicellular organisms and humans. The author explains how this structure is arranged and how it functions, as well as the role of the information system. KEY FEATURES Reviews persistent questions and addresses fundamental themes in biology Provides systematic coverage Includes original insights into basic principles of living organization and structure Demonstrates the applicability of a proposed approach to particular evolutionary grades RELATED TITLES J.W. Schopf, Life in Deep Time: Darwin's "Missing" Fossil Record (ISBN 978-1-138-38549-8) C.H. Waddington, ed., The Origin of Life: Toward a Theoretical Biology (ISBN 978-0-202-36302-8) J. Wiegel, A.W.W. Michael, eds., Thermophiles: The Keys to the Molecular Evolution and the Origin of Life (ISBN 978-0-7484-0747-7)

A comprehensive compendium of published property estimation techniques for organic compounds.
For scientists and engineers seeking to estimate properties of compounds, this time-saving Handbook brings together in one compact volume a vast array of property estimation methods from more than 2,700 published sources for calculating these and many other properties of organic compounds:
* Density and molar volume
* Boiling point
* Refractive index and molar refraction
* Melting point
* Surface tension and parachor
* Water solubility
* Viscosity
*
* Air/water partition coefficient
* Vapor pressure
* Octanol/water partition coefficient
* Enthalpy of vaporization
* Soil/water partition coefficient.
The property estimation techniques detailed in the Handbook have been chosen for their broad applicability and practical value. The discussion of each estimating technique includes a clear exposition of the technique, including classes of compounds for which it is applicable and critical consideration of its strengths and weaknesses, as well as many worked-out examples demonstrating the technique.
The Handbook can be used on its own or in tandem with the Toolkit for Estimating Physicochemical Properties of Organic Compounds, an easy-to-use, Windows(r)-based program that puts rapid estimation routines and flexible search capabilities at the user's fingertips. The Toolkit CD features routines for estimating key properties of organic compounds and a database of property and other data for more than 24,000 organic compounds.
Also available: Toolkit for Estimating Physicochemical Properties of Organic Compounds ISBN 0-471-19492-1(CD-ROM)
* Toolkit for Estimating Physicochemical Properties of Organic Compounds ISBN 0-471-17263-4 (book/CD-ROM set)

This book explores how structure impacts the dynamics of organic molecules in an extensive and impressive range of femtosecond time-resolved experiments that are combined with state-of-the-art theoretical approaches. It explores an area of molecular dynamics that remains largely uncharted and provides an extraordinary overview, along with novel insights into the concept of the dynamophore - the functional group of ultrafast science. Divided into four parts, this book outlines both experimental and computational studies on the VUV photoinduced dynamics of four cyclic ketones and one linear ketone, the ring-opening and dissociative dynamics of cyclopropane, and the potential ultrafast intersystem crossing in three methylated benzene derivatives. Model systems for the disulfide bond and the peptide bond, both of which are related to the structure of proteins, are also investigated. This highly informative and carefully presented book offers a wealth of scientific insights for all scholars with an interest in molecular dynamics.

The various techniques used to analyze the microstructures of polymers are presented in this book. High resolution and solid state techniques are described, and applications to both synthetic and biological polymers are discussed in detail.
Particular emphasis is placed on the determination of polymer microstructure by NMR spectroscopy. Here attention is drawn to the connection between the microstructures and NMR spectra of polymers, and it is demonstrated that the local polymer conformation provides this link. The numerous examples illustrating this connection are a special feature of the book.

This book classifies methods of synthesizing a heterocyclic ring which is fused to another ring. Classification is based on the functional group or groups present in the substrate, each chapter being devoted to the reactions of a particular pair of groups. The groups are arranged alphabetically so that they can be found easily. The book enables the reader to locate references (over 2000 are included) to the conversion of a wide variety of functional groups into heterocyclic rings of five to eight atoms. Each cyclization is shown as an equation which contains concise details or reagents, conditions, and yields. Since the classification of each cyclization is based on the functional groups involved, locating the relevant reference is independent of the identity of the ring in the substrate. This simplifies the search for the relevant reference.

Many new drugs on the market are chiral compounds, that is, they can exist in two non-superimposable mirror-image forms. Asymmetric catalysis encompasses a large variety of processes for obtaining such compounds. The performance of the catalyst in those processes largely depends on the ligand that makes up the catalyst. This book describes the most relevant ligand libraries for some key processes, including an overview of the state of art and the key mechanistic aspects that favor a high catalytic performance. Key Features: The book presents historical content from the time of discovery for each family of ligands. Provides a description of the synthetic route and the ligand library's application in various catalytic asymmetric reactions Suitable as supplementary reading for courses targeting the design, synthesis and application of chiral catalysts, asymmetric catalysis and sustainable production Edited by a distinguished scientist in the field, the book has a diverse audience including research groups in homogeneous catalysis, particularly asymmetric transformations

Peroxyl radicals are formed in biological systems, the atmosphere and aqueous waste and are important intermediates in the breakdown both of organic molecules and several inorganic species. As peroxyl radicals react with CFCs and HFCs in the atmosphere resulting in the further destruction of the ozone layer, there has been a great deal of progress towards understanding peroxyl radicals and their reactions in both the gas and liquid phase. Until now there has been no one volume which brings together all aspects of peroxyl radical chemistry — from their formation, to their wide and varied chemistry in the aqueous environment, biological systems, solid matrices, polymeric systems and the atmosphere. Peroxyl Radicals is essential reading for organic and physical organic chemists, biochemists and environmental technologists.

The rich biodiversity of Borneo provides many useful plants for medicinal purposes. Written by experts in the field, Medicinal Plants of Borneo provides a guide and introduction to the medicinal plants from Borneo used traditionally as well as plants whose medicinal uses have been recently discovered. These include anti-HIV plants - such as Calophyllum lanigerum (calanolide A) - and anti-cancer plants - such as Aglaia foveolata (silvestrol). The book also provides information on the relevant medicinal chemistry, such as isolated bioactive compounds and the mechanism of action, where available. FEATURES Discusses the rich experience in the use of medicinal plants and the wide diversity of Borneo's botanical resources Presents plants with medicinal properties from a scientific perspective Provides readers with current information on the chemistry and pharmacology of natural products with pharmaceutical potential Covers a range of chemical, botanical and pharmacological diversities Forms an important part of the Natural Products Chemistry of Global Plants series due to an increasing global interest in natural products and botanical drugs Simon Gibbons is Head of the School of Pharmacy, University of East Anglia, UK, and a Professor of Natural Product Chemistry. He was formerly a Professor of Medicinal Phytochemistry at the School of Pharmacy, University College London (UCL). Stephen P. Teo is a forest botanist with the Forest Department, Sarawak, Malaysia.

This comprehensive text covers the research and development trends in the growing field of aromatic C-H dehydrogenative coupling reactions, leading to different types of heterocycles. The author provides answers to how these coupling reactions occur, what kinds of heterocycles are synthesized, and what their advantages are. The palladium-, rhodium-, iridium-, copper-, cobalt-, ruthenium-, and ferric-catalyzed aromatic C(sp2)-H dehydrogenative cross-coupling reactions are described in detail. A useful reference source for researchers and graduates in the field of heterocyclic chemistry and transition-metal-catalyzed dehydrogenative coupling reactions. Features: Comprehensive volume on the synthesis of benzo-heterocycles via aromatic C(sp2)-H bond activation. Heterocycles are of paramount importance to medicinal chemistry and drug discovery. Provides a comprehensive literature survey on the construction of heterocycles. Reaction procedures and mechanistic explanations are included, which will appeal to those in fine chemicals and pharmaceutical companies.

Advances in Microwave Chemistry discusses the novel bond formation methodologies, synergistic effects of microwaves with other entities, sample preparation including digestion, combustion, and extraction techniques, as well as selectivity in chemical processes. Recent updates are provided on microwave-assisted syntheses of pharmacologically significant aza-, oxo- and other heterocycles, including lactams, nucleosides, bile acids and sterols, the preparation of nanomaterials, composites, and absorber layer materials for thin film. This book also incorporates comparative discussions involving microwave irradiation with conventional methods in different aspects of organic, inorganic, medicinal, and green chemistry. Key Features: Provides a comparative discussion on microwave irradiation with conventional methods in different aspects of organic, inorganic, medicinal, and green chemistry Presents recent applications of microwave radiation in biocatalysis Offers a complete package correlating various aspects of microwaves in organic syntheses, the biological impact of products formed in reactions, pharmacological features, and environmental sustainability of the procedures Explains microwave-induced reactions on structurally complex bile acids and sterols Stands as a valuable and unique addition to the well-established book series, New Directions in Organic and Biological Chemistry

Since the 1990s the synthetic community has shown a growing interest in the development of catalytic reactions that employ entirely organic catalysts - so-called 'organocatalysts'. With the current emphasis on green chemistry throughout the chemical industry, organocatalysis has become indispensible. In spite of this growth and recognition, there can be a misconception that organocatalysts are only based on nitrogen-containing functional groups (amines, ureas, and quaternary ammonium salts, for example), and are only useful for asymmetric reactions. Nonnitrogenous Organocatalysis shows that the umbrella of organocatalysis covers other main group elements besides nitrogen, and the coverage is not just limited to asymmetric methods. Many of the catalysts and mechanisms discussed may not have a viable asymmetric variant or cannot be rendered asymmetric at all. This does not make them any less useful, as illustrated in this book.

Wood has played a major role throughout human history. Strong and versatile, the earliest humans used wood to make shelters, cook food, construct tools, build boats, and make weapons. Recently, scientists, politicians, and economists have renewed their interest in wood because of its unique properties, aesthetics, availability, abundance, and perhaps most important of all, its renewability. However, wood will not reach its highest use potential until we fully describe it, understand the mechanisms that control its performance properties, and, finally, are able to manipulate those properties to give us the desired performance we seek. The Handbook of Wood Chemistry and Wood Composites analyzes the chemical composition and physical properties of wood cellulose and its response to natural processes of degradation. It describes safe and effective chemical modifications to strengthen wood against biological, chemical, and mechanical degradation without using toxic, leachable, or corrosive chemicals. Expert researchers provide insightful analyses of the types of chemical modifications applied to polymer cell walls in wood. They emphasize the mechanisms of reaction involved and resulting changes in performance properties including modifications that increase water repellency, fire retardancy, and resistance to ultraviolet light, heat, moisture, mold, and other biological organisms. The text also explores modifications that increase mechanical strength, such as lumen fill, monomer polymer penetration, and plasticization. The Handbook of Wood Chemistry and Wood Composites concludes with the latest applications, such as adhesives, geotextiles, and sorbents, and future trends in the use of wood-based composites in terms of sustainable agriculture, biodegradability and recycling, and economics. Incorporating decades of teaching experience, the editor of this handbook is well-attuned to educational demands as well as industry standards and research trends.

Addressing the persistent environmental threat of organic chemicals with a fresh approach to degradation and transformation processes, Organic Chemicals in the Environment: Mechanisms of Degradation and Transformation, Second Edition examines a wide range of compounds as well as abiotic and microbiological reactions mediated by microorganisms. The book emphasizes the pathways used and the broad classes of enzymes involved. It provides an overview of experimental procedures with detailed coverage of the organic compounds that are considered to be xenobiotics. The book begins by providing a broad perspective on abiotic and biotic reactions, including the significance of a range of environmental determinants. The following chapters briefly introduce experimental procedures and emphasize those procedures for establishing the structure of metabolites using isotopes and physical methods. Next, the authors outline details of biochemical reactions involved in the biodegradation of the major groups of aliphatic, carbocyclic aromatic, and heterocyclic compounds. They end with coverage of bioremediation that has attracted increasing concern because of the hazard presented by the disposal of unwanted chemicals or by-products from their manufacture. Broad and comprehensive, this book provides a cohesive treatment of the subject. It contains an extensive set of literature references and numerous illustrative figures. The authors use a mechanistic approach with emphasis on the pathways, and the principles that emerge provide a guide not only for specific compounds but also for those having a more remote structural resemblance.

A timely and authoritative treatise on the chemistry and diverse applications of chalcogenadiazoles - the five-membered rings containing two carbons, two nitrogens, and one chalcogen (an member of group 16, the oxygen family). The number of different chalcogenadiazoles and their structural diversity make it difficult to gain a clear understanding of the subject by studying an individual system in isolation. Chalcogenadiazoles: Chemistry and Applications emphasizes general features of this class of heterocyclic compounds. It concentrates on properties of each class of chalcogenadiazoles and their cycle-fused derivatives, considering chemical reactions of functional groups only in cases when these reactions permit to characterize the heterocycles as substituents or in respect of its aromaticity.Covering an important and rapidly developing branch of heterocyclic chemistry, this book is an essential resource for students, young professionals and experienced specialists in adjacent fields who are interested in: Trends in the search for compounds with established bioactivity or use in medicine, as agrochemicals, or as reagents for environmental and biochemical analysis Differences in classes of chalcogenadiazoles with respect to their degree of aromaticity and similar general concepts helpful to the nonspecialist The effects of the chalcogen nature and the alternation manner of all atomic constituents on properties of these heterocyclic compounds Combining data from organic, biological, medicinal, materials science, and supramolecular chemistry, Chalcogenadiazoles: Chemistry and Applications is an important source of information not only for chemists in the fields of organic, inorganic, and organometallic chemistry, but also for anyone interested in the research and development of chalcogenadiazoles and related species.