Böcker utgivna av Royal Society of Chemistry

Covering computational tools in drug design using techniques from chemoinformatics, molecular modelling and computational chemistry, this book explores these methodologies and applications of in silico medicinal chemistry. The first part of the book covers molecular representation methods in computing in terms of chemical structure, together with guides on common structure file formats. The second part examines commonly used classes of molecular descriptors. The third part provides a guide to statistical learning methods using chemical structure data, covering topics such as similarity searching, clustering and diversity selection, virtual library design, ligand docking and de novo design. The final part of the book summarises the application of methods to the different stages of drug discovery, from target ID, through hit finding and hit-to-lead, to lead optimisation. This book is a practical introduction to the subject for researchers new to the fields of chemoinformatics, molecular modelling and computational chemistry.

Environmental Radiochemical Analysis V is a collection of original papers presented at the Twelfth International Symposium on Environmental Radiochemical Analysis held in September 2014.

The efficient synthesis of heterocycles has become one of the main branches in organic chemistry due to their use in the synthesis of natural products and pharmaceuticals. Current sythentic strategies based on C-H activation methodologies are met with many problems like harsh reaction conditions and low reaction efficiency. Double functionalized chemicals offer a perfect alternative for the synthesis of heterocycles. Heterocycles from Double-Functionalized Arenes starts with a short discussion on the importance of heterocycles and a brief introduction on the preparation of double-functionalized arenes. Specific chapters then look at five-membered heterocycles synthesis, six-membered heterocycles synthesis and macroheterocycles synthesis.This is the first book dedicated to the topic of transition metal catalyzed coupling reactions of double functionalized arenes in heterocycle synthesis and can be used as a handbook for senior researchers and as an introduction for organic chemistry students.

Providing a full overview of organic/polymeric memory nanoscale materials, which are a potential substitute for conventional semiconductor memory systems.

Providing an overview of sugar-based technologies, this book is a valuable resource for chemists working to develop greener synthetic routes to chemicals and pharmaceuticals.

This book is dedicated to the innovative and emerging applications of designed functional surfaces to solving environmental challenges.

The field of nanoceramics for biomedical applications has experienced important advances in the last five years. These advances are mainly focused in the field of new nanostructured bioceramics able to mimic almost the same biomineralization processes. In addition, there has also been significant advances in nanoceramics as vehicles for targeted drug delivery and gene therapy. Building on the success of Biomimetic Nanoceramics in Clinical Use, this second edition has been revised and updated to reflect the recent developments in the field. Nanoceramics in Clinical Use includes additional material on bone mineralization processes, new synthesis strategies and applications of nanostructured bioceramics to manufacture 3D macroporous scaffolds and as nanovehicles for targeted drug delivery and gene therapies, to provide the reader with a complete overview of the topic, from fundamental principles to the latest advances. Written by World leading experts in bioceramics, this title will appeal to a broad audience, from academic researchers to those working within the commercial industry. Materials and chemical engineers, chemists, biologists, physicists and those working in medicine, im particular with medical implants, will appreciate the comprehensive coverage of this fast-developing area.

Peroxynitrite detection and quantification provides critical information in understanding its biological implications. It will be welcomed by the community particularly medicinal and analytical chemists, developers of sensors and probes and analytical equipment manufacturers.

Covering the latest developments in themes related to water disinfection by-products, this book brings the academic and industry researchers right up to date.

This book comprehensively reviews current knowledge and techniques in the transporter sciences and their relations to drug metabolism and pharmacokinetics.

Discussing the key environmental issues affecting the Earth today, this book brings policy makers and environmental scientists up to date with current opinions and attitudes.

Encompassing a range of subjects, this book represents the most exciting developments in organic electronics research.

It has been firmly established over the last quarter century that cosmic dust plays important roles in astrochemistry. The consequences of these roles affect the formation of planets, stars and even galaxies. Cosmic dust has been a controversial topic but there is now a considerable measure of agreement as to its nature and roles in astronomy, and its initiation of astrobiology. The subject has stimulated an enormous research effort, with researchers in many countries now involved in laboratory research and in ab initio computations. This is the first book devoted to a study of the chemistry of cosmic dust, presenting current thinking on the subject distilled from many publications in surface and solid-state science, and in astronomy. The authors discuss the nature of dust, its formation and evolution, the chemistry it can promote on its surfaces, and the consequences of these functions. The purpose of this book is to review current understanding and to indicate where future work is required. Mainly intended for researchers in the field of astrochemistry, the book could also be used as the basis of a course for postgraduate students who have an interest in astrochemistry.

Covering three key conjugated carbon nanomaterials: carbon nanotubes, fullerenes and graphene which although look very different have much, often unrealised, common ground.

Borne out of the current widespread interest in the pollution of water bodies, this book explores the latest research concerning the photochemical fate of organic pollutants in surface water.

Combining basic concepts with the synthesis of new catalysts, reactor and reaction engineering, this book is a comprehensive resource for researchers.

Covering biobased products in a broad context, this book provides chemical engineers with a better understanding of challenges, opportunities, risks, and benefits of commercialization.

Aimed at today's experimentalists and theoreticians, chemists, physicists and materials scientists, this book will cross-boundaries and discuss energy-related information.

This book addresses the various classes of privileged scaffolds and covers the history of their discovery and use.

This book covers new insights in the field of schizophrenia with an aim to advance the understanding of scientists and clinicians in this area and to fuel drug discovery.

A comprehensive overview of different metallosupramolecular systems and their applications in magnetic, photonic and electronic materials.

Leading experts provide a timely and comprehensive overview of the use of supramolecular systems in biomedical applications.

This book describes in mathematical terms the extraction of useful information from ESR spectra

For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage.

A collection of methods to determine and analyse the 3-D structure of biomolecules. These methods have been enhanced to improve the speed and quality of drug discovery.

This Specialist Periodical Report aims to reflect the growing interest in the potential of organometallic chemistry.

Leading experts in the fields of chemistry, physics and engineering have contributed to this book highlighting the importance of smart material science in the 21st century

This book includes the latest information on DNA photolesions and repair, as well as the key mechanisms of solar UV in skin cancer initiation and development.

This book presents the latest research in the field of heterogeneous catalysis. Heterogeneous catalysis and supporting homogeneous catalysis are important factors in increasing the development of green chemistry.