This book is an account of current developments in computational chemistry, a new multidisciplinary area of research. Experts in computational chemistry, the editors use and develop techniques for computer-assisted molecular design. The core of the text itself deals with techniques for computer-assisted molecular design. The book is suitable for both beginners and experts.
In addition, protocols and software for molecular recognition and the relationship between structure and biological activity of drug molecules are discussed in detail. Each chapter includes a mini-tutorial, as well as discussion of advanced topics.
Special Feature: The appendix to this book contains an extensive list of available software for molecular modeling.

British author Diana Wynne Jones has been writing speculative fiction for children for more than thirty years. A clear influence on more recent writers such as J.K. Rowling, her humorous and exciting stories of wizard's academies, dragons and griffins, many published for children but read by all ages, are also complexly structured and thought provoking critiques of the fantasy tradition. This book will be of interest to Jones's many admirers and to those who study fantasy and children's literature. With the rise in interest in Harry Potter, there has been an accompanying renaissance of critical interest in Jones's work. This book, however, is the first sustained, single-author study of Jones's work, written by a renowned science fiction critic and historian. In addition to providing an overview of her work, Farah Mendlesohn also examines Jones's important critiques of the fantastic tradition's ideas about childhood and adolescence.

Filling a gap in the literature, this reference offers 25 authoritative chapters on the epidemiology, clinical characteristics, and medical and surgical treatment of essential tremor and various tremor disorders, including chapters on Parkinsonian, cerebellar, neuropathic, post-traumatic, psychogenic, and drug-induced tremor. Reporting on the latest findings and research in the field, this guide discusses specific tremor disorders along with the various therapeutic regimens used to treat each of them. The authors supply up-to-date information on the etiology and pathogenesis of tumor, as well as state-of-the-art methods of identification and management of essential tremor and tremor disorders.

Chemical Analysis provides non invasive and micro-analytical techniques for the investigation of cultural heritage materials. The tools and techniques, discussed by experts in the field, are of universal, sensitive and multi-component nature.

This is the fourth volume in the Reviews in Fluorescence series. To date, three volumes have been both published and well received by the scienti c community. Several book reviews in the last few years have also favorably remarked on the series. In this fourth volume we continue the tradition of publishing leading edge and timely articles from authors around the world. We thank the authors for their timely and exciting contributions. We hope you nd this volume as useful as past volumes, which promises to be just as diverse with regard to uorescence-based content. Finally, in closing, I would like to thank to Aaron Johnson, formerly at Springer, for helping me to publish this book serial over the last four volumes. Thanks also go to Michael Weston at Springer for help in publishing this current volume. Baltimore, Maryland Chris D. Geddes v Contents Simple Calibration and Validation Standards for Fluorometry ...1 Ute Resch-Genger, Katrin Hoffmann, and Dietmar Pfeifer Membranes and Fluorescence Microscopy...33 Luis A. Bagatolli Electronic Energy Transport and Fluorescence Spectroscopy for Structural Insights into Proteins, Regular Protein Aggregates and Lipid Systems ...53 ? ? Therese Mikaelsson, Radek Sachl, and Lennart B. -A. Johansson Spectra FRET: A Fluorescence Resonance Energy Transfer Method in Live Cells...87 Ekaterina A. Bykova and Jie Zheng Boronic Acid Based Modular Fluorescent Saccharide Sensors...103 John S. Fossey and Tony D. James Fluorescence Solvent Relaxation in Cationic Membranes ...

Carbocation chemistry is not only fundamental to the advancement of organic chemistry, it also has found widespread applications in organic synthesis. It is not an exaggeration to say that carbocation chemistry is part of the foundation of organic chemistry. Carbocation Chemistry: Applications in Organic Synthesis provides a panoramic view of carbocation chemistry with an emphasis on synthetic applications. This book is an invaluable tool for organic, medicinal and analytical chemists, including those working in biochemistry as well as the petroleum, plastics and pharmaceutical industries. It is also suitable for upper level undergraduates and graduates in organic chemistry, biochemistry and medicinal chemistry.

Reference materials play an important role in analytical chemistry, where they are used by analysts for a variety of purposes, including: checking and calibrating instruments; validating methods and estimating the uncertainty of analytical measurements; checking laboratory and analyst performance; and internal quality control. This book provides guidance and information for the users of certified reference materials (CRMs), explaining how they can best be used to achieve valid analytical measurements and improve quality in the analytical laboratory. General information on CRMs and how they are produced sets the scene for readers. The statistics relating to CRM use are then explained in an easy-to-understand manner, and this is followed by sections covering the main uses of CRMs. Detailed worked examples are used throughout. Structured and comprehensive in coverage, this book will be welcomed by all users of certified reference materials.

First Published in 1982, this set offers a comprehensive guide into the process of analysing water for pesticides. Carefully compiled and filled with a vast repertoire of notes, diagrams, and references this book serves as a useful reference for students of toxicology and other practitioners in their respective fields.

Bioremediation, or enhanced microbiological treatment, of environments contaminated with a variety of organic and inorganic compounds is one of the most effective innovative technologies to come around this century! Practical Environmental Bioremediation: The Field Guide presents updated material, case histories and many instructive illustrations to reflect the evolving image of this fast-emerging industry. Bioremediation technology has witnessed great strides towards simplifying treatability formats, finding new approaches to field application, more potent nutrient formulations, monitoring protocols and the resulting general improvement in results. This new guide condenses all current available knowledge and presents necessary technical aspects and concepts in language that can be readily comprehended by the technical student, experienced scientist or engineer, the aspiring newcomer, or anyone else interested in this exciting natural cleanup technique.

First Published in 1984, this set offers a comprehensive insight into thermolumiscence. Carefully compiled and filled with a vast repertoire of notes, diagrams, and references this book serves as a useful reference for radiobiologists and physicists and other practitioners in their respective fields.

Laboratory automation is an increasingly important part of the job description of many laboratory scientists. Although many laboratory scientists understand the methods and principles involved in automation, most lack the necessary engineering and programming skills needed to successfully automate or interface equipment in the lab. A step-by-step, how-to reference and guide, Practical Pharmaceutical Laboratory Automation explores the processes needed to automate the majority of tasks required in research today. The author discusses topics ranging from automated mathematical analysis to robotic automation of chemical processes, to combinations of these and other processes. He presents a detailed discussion of high throughput screening and assay development and takes an in-depth look at Visual Basic as the primary programming language used in laboratories. The text has a dedicated web site (http://www.pharmalabauto.com) that contains all the sample code and examples contained within the text as well as other information related to laboratory automation. Providing a starting point for tackling automation problems, Practical Pharmaceutical Laboratory Automation helps you develop a strategy for automation that gets consistent results.

First Published in 1984, this set offers a comprehensive insight into thermolumiscence. Carefully compiled and filled with a vast repertoire of notes, diagrams, and references this book serves as a useful reference for radiobiologists and physicists and other practitioners in their respective fields.

For more than three decades the "Electroanalytical Chemistry "series has delivered the most in-depth and critical research related to issues in electrochemistry. Volume 22 continues this gold-standard with practical reviews of recent applications, as well as innovative contributions from internationally respected specialists-highlighting the emergence of new technologies and trends in the field. Previous volumes in the series were "highly recommended" by the" Journal of the American Chemical Society "and considered "essential" by the "Journal of Solid State Electrochemistry, "and this volume continues with a collection of state-of-the-art advances and studies of the highest caliber.

This is the second volume of a four volume set intended to describe the techniques and applications of thermoanalytical and calorimetric methods. The general techniques and methodology are covered extensively in Volume 1, along with the fundamental physicochemical background needed. Consequently the subsequent volumes dwell on the applications of these powerful and versatile methods, while assuming a familiarity with the techniques.
Volume 2 covers major areas of inorganic materials and some related general topics, e.g., catalysis, geochemistry, and the preservation of art. The chapters are written by established practitioners in the field with the intent of presenting a sampling of the how thermoanalytical and calorimetric methods have contributed to progress in their respective areas. The chapters are not intended as exhaustive reviews of the topics, but rather, to illustrate to the readers what has been achieved and to encourage them to consider extending these applications further into their domains of interest.
- Provides an appreciation for how thermal methods can be applied to inorganic materials and processes.
- Provides an insight into the versatility of thermal methods.
- Shares the experiences of experts in a variety of different fields.
- A valuable reference source covering a huge area of materials coverage.

An understanding of the fate and behaviour of organic chemicals, such as surfactants, in the environment is a prerequisite for the sustainable development of human health and ecosystems. As surfactants are being produced in huge amounts, it is important to have a detailed knowledge about their lifetime in the environment, their biodegradability in wastewater treatment plants and in natural waters, and their ecotoxicity. Parameters relevant for the assessment of long-term behaviour, such as interactions with hormonal systems need to be understood to avoid unexpected adverse effects to future generations of people and the environment. However, the identification and quantification of commercial surfactants in the environment is made more complicated and cumbersome because they comprise of tens to hundreds of homologues, oligomers and isomers of anionic, nonionic, cationic and amphoteric compounds.
The EU-funded PRISTINE project (Priority surfactants and their toxic metabolites in wastewater effluents: An integrated study; ENV4-CT97-0494) provides the basis for the content of this title. It provides policy makers and industry with detailed information on analysis and concentrations of surfactants and their degradation products in the environment.
In addition to a general introduction to surfactants, this book comprises a comprehensive variety of analytical techniques, including sample handling, for the analysis of surfactants in the aquatic environment. Readers will find all the necessary information for analyzing the different groups of surfactants, with special emphasis on transformation products. Quality assurance is also reported on in detail. Chapters on toxicity and risk assessment are also included and give a complete perspective on the surfactants problem in the aquatic environment.
.Presents the finding of EU-funded research into fate and behaviour of organic chemicals in the environment
.Comprises a comprehensive variety of analytical techniques, including sample handling, for the analysis of surfactants in the aquatic environment
.Provides relevant information to all groups working in the field of surfactants"

Often considered as a simple task, chemical analysis actually requires a variety of quite complex skills. As a practitioner in an interdisciplinary science, the analytical scientist is relied upon to have the knowledge and skill to help solve problems or to provide relevant information. They will need to think laterally, examine the process from sampling to final result carefully, in addition to selecting the appropriate technique in order to satisfy the objective and obtain a reliable result. The aim of this book is to provide basic training in the whole analytical process for students, demonstrating why analysis is necessary and how to take samples, before they attempt to carry out any analysis in the laboratory. Initially, planning of work, and collection and preparation of the sample are discussed in detail. This is followed by a look at issues of quality control and accreditation and the basic equipment (eg. balances, glassware) and techniques that are required. Throughout, safety issues are addressed, and examples and practical exercises are given. Chemical Analysis in the Laboratory: A Basic Guide will prove invaluable for students of chemistry, plant science, food science, biology, agriculture and soil science, providing them with a guide to the skills that will be required in the Analytical Laboratory. Teachers and lecturers will also find the material of assistance in developing the analytical thinking and skills of their students. New employees in analytical laboratories will welcome it as an indispensable guide.

Multivariate data analysis is a central tool whenever several variables need to be considered at the same time. The present book explains a powerful and versatile way to analyse data tables, suitable also for researchers without formal training in statistics.

This method for extracting useful information from data is demonstrated for various types of quality assessment, ranging from human quality perception via industrial quality monitoring to health quality and its molecular basis.

Key features include:

• Minimum mathematics; all technical details in appendix form
• Very accessible style with cartoons, self assessment questions and wide range of practical examples
• All data sets available FREE online on Chemometrics World (http://www.wiley.co.uk/wileychi/chemometrics).

The book is written with ISO certified businesses and laboratories in mind, to enhance Total Quality Management (TQM). As yet there are no clear guidelines for realistic data analysis of quality in complex systems - this volume bridges the gap.

Field flow fractionation (FFF) is an emerging separation technique, which has been proven successful in the analysis of pharmaceuticals, biotechnology products, polymers, soils, and foods, among others. In this book, Martin Schimpf joins forces with Karin Caldwell and J. Calvin Giddings, two of the primary developers of this technique, to bring you the first comprehensive, one-stop reference on the technique.

This publication details the isolation of proteins from biological materials, techniques for solid-liquid separation, concentration, crystallization, chromatography, scale-up, process monitoring, product formulation, and regulatory and commercial considerations in protein production. The authors discuss the release of protein from a biological host, selectivity in affinity chromatography, precipitation of proteins (both non-specific and specific), extraction for rapid protein isolation, adsorption as an initial step for the capture of proteins, scale-up and commercial production of recombinant proteins, and process monitoring in downstream processing.

Solid-Phase Extraction (SPE) offers accessible, up-to-date coverage of every aspect of this tremendously useful separation tool, from how it works and where it works to recent advances in equipment and techniques.

Divided into three main parts, the book begins with a clear explanation of basic SPE concepts—including theory, chemistry, and mechanisms of interaction as well as methods development, troubleshooting, and optimization. The next section presents an in-depth look at SPE applications, with separate chapters devoted to clinical, environmental, and natural product chemistry. Numerous examples drawn from each of these three areas illustrate SPE in action in the real world, successfully bridging the gap between principles and practice.

The final section of the book discusses the latest SPE technology, with detailed coverage of the automation process, solid-phase extraction disks, and innovations such as solid-phase microextraction and small-volume solid-phase extraction. Suggested reading and references are included throughout, providing a useful springboard for further research and study.

Whether you are new to SPE or are looking to keep abreast of the newest developments in SPE methods and uses, Solid-Phase Extraction gives you instant access to the information you need—an essential companion for chemists of all types who use SPE in their work.

Complete coverage of SPE concepts and applications—at your fingertips Solid-Phase Extraction (SPE) equips chemists in any field with an incomparable one-stop source of up-to-date information on SPE. With sections devoted to fundamental principles, applications, and new technology, it is both comprehensive and easy to use—the ideal working reference on this important subject.

• Presents a straightforward examination of SPE theory, methods development, chemistry, and mechanisms of interaction
• Provides detailed coverage of SPE applications in clinical, environmental, and natural product chemistry
• Features practical examples illustrating a range of real-world SPE uses
• Prepares chemists to make informed decisions on sorbent selection
• Covers the latest SPE technology, with valuable insights on automation and new sample preparation methods
• Offers suggestions for further reading, Internet resources, and product guides

This volume details the theories, mechanisms, technologies and trends for solving qualitative and quantitative problems in diverse areas of analytical research - emphasizing physicochemical principles. It focuses on deriving simpler and more extensive chemiluminescence (CL) detectors reflecting miniaturization trends, including narrow-bone and capillary liquid chromatography versus high-performance liquid chromatography and miniaturized high-performance thin-layer chromatography. It also covers the sensitivity, selectivity, wide detection range and versatility of CL-based methodologies.

First Published in 1987, this book offers a full, comprehensive guide into the Literature on Analytical Chemistry. Carefully compiled and filled with a vast repertoire of journals, Papers, and References this book serves as a useful reference for Students of Chemistry, and other practitioners in their respective fields.

The need in healthcare to detect biomolecular species such as proteins, oligonucleotides (DNA and RNA) and cells for diagnostics is driving the current development of physical techniques. The development is generally based on optical, electrochemical and mass spectrometric transduction to enable these measurements. These are now also being exploited in array formats, enabling the development of high throughput detection to inform systems biology and pathway medicine by giving new insights into biomolecular pathways and the identification of new target analytes. This is a highly topical and exciting area which opens up the real prospect of theranostics (the use of diagnostics in informing patient specific therapy), but for which development and optimisation of detection requires an understanding and control of the fundamental physical processes occurring both in sensing and in signal transduction and the comparatives merits of alternative detection strategies. For high throughput detection, bioinformatics (the processing and interpretation of vast amounts of data) also presents a real challenge. Faraday Discussion 149 is organised by the Faraday Division in association with the Analytical Division.

Electrochemical Biosensors summarizes fundamentals and trends in electrochemical biosensing. It introduces readers to the principles of transducing biological information to measurable electrical signals to identify and quantify organic and inorganic substances in samples. The complexity of devices related to biological matrices makes this challenging, but this measurement and analysis are critically valuable in biotechnology and medicine. Electrochemical biosensors combine the sensitivity of electroanalytical methods with the inherent bioselectivity of the biological component. Some of these sensor devices have reached the commercial stage and are routinely used in clinical, environmental, industrial and agricultural applications.

Mass Spectrometry Basics provides authoritative yet plain-spoken explanations of the basic concepts of this powerful analytical method without elaborate mathematical derivations. The authors describe processes, applications, and the underlying science in a concise manner supported by figures and graphics to further comprehension. The text provides practical approaches to interpreting mass spectral data and step-by-step guides for identifying chemically relevant compounds. Additionally, the authors have included an extensive reference section and a quick guide to each chapter that offers immediate access to key information.

This unique reference makes some of the esoteric aspects of this important area of analysis more readily comprehensible to those who deal with analytical instruments but who have not been trained in mass spectrometry. It also serves as a refresher for practicing mass spectroscopists by clarifying principles to afford a better appreciation and application of this technology.