Computational Toxicology

Mammalian Toxicology surveys chemical agents and examines how such chemicals impact on human health, emphasizing the importance in minimizing environmental exposure to chemical and physical hazards in our homes, communities and workplaces through such media as contaminated water, soil and air. Starting with the basic principles on a wide range of toxic agents, this textbook describes how they enter the body, their mechanisms of action once inside, and strategies for diagnosis, prevention and treatment. Topics covered include: General principles of toxicology: pharmacological and toxicological principles underpinning the study of toxicology, risk assessments and mechanisms of cell death Disposition: routes of chemical exposures, entry into the body and various tissues, storage, metabolic biotransformation and elimination, with examples from various toxicants. Toxic agents: the occurrences, disposition in the body, health effects, toxic mechanisms, antidotes and treatments of a range of agents including pesticides, metals, solvents, gases, nanomaterials, food components and additives, pharmaceuticals, drugs of abuse, natural toxins, endocrine disruptors, radiation, and warfare weapons. Toxic effects: including neurotoxicity, developmental toxicity, immunotoxicity, teratogenecity, male and female reproductive toxicity, mutagenecity, carcinogenicity, pulmonary toxicity, cardiovascular toxicity, hepatotoxicity, gastrointestinal toxicity and cardiovascular toxicity Toxicology and society: epidemiological studies of chemical-induced diseases in human populations, and a vision for toxicology in the 21st century. Mammalian Toxicology is an essential primer for students of toxicology, biochemistry, biology, medicine and chemistry. It is also appropriate for professional toxicologists in research or regulatory affairs, and anyone who needs to understand the adverse effects of toxic agents on the human body.

Tailored to the needs of scientists developing drugs, chemicals, cosmetics and other products this one-stop reference for medicinal chemists covers all the latest developments in the field of predictive toxicology and its applications in safety assessment. With a keen emphasis on novel approaches, the topics have been tackled by selected expert scientists, who are familiar with the theoretical scientific background as well as with the practical application of current methods. Emerging technologies in toxicity assessment are introduced and evaluated in terms of their predictive power, with separate sections on computer predictions and simulation methods, novel in vitro systems including those employing stem cells, toxicogenomics and novel biomarkers. In each case, the most promising methods are discussed and compared to classical in vitro and in vivo toxicology assays. Finally, an outlook section discusses such forward-looking topics as immunotoxicology assessment and novel regulatory requirements. With its wealth of methodological knowledge and its critical evaluation of modern approaches, this is a valuable guide for toxicologists working in pharmaceutical development, as well as in safety assessment and the regulation of drugs and chemicals.

A fully updated and expanded edition of the bestselling guide on toxicology and its practical application • Covers the diverse chemical hazards encountered in the modern work and natural environment, and provides a practical understanding of these hazards • New chapters cover the emerging areas of toxicology such as omics, computational toxicology, and nanotoxicology • Provides clear explanations and practical understanding of the fundamentals necessary for an understanding of the effects of chemical hazards on human health and ecosystems • Includes case histories and examples from industry demonstrate the application of toxicological principles • Supplemented with numerous illustrations to clarify and summarize key points, annotated bibliographies, and a comprehensive glossary of toxicological terms

Epigenetics is the study of both heritable and non-heritable changes in the regulation of gene activity and expression that occur without an alteration in the DNA sequence. This dynamic and rapidly developing discipline is making its impact across the biomedical sciences, in particular in toxicology where epigenetic differences can mean that different individuals respond differently to the same drug or chemical. Toxicology and Epigenetics reflects the multidimensional character of this emerging area of toxicology, describing cutting-edge molecular technologies to unravel epigenetic changes, the use of in vivo and in vitro models, as well as the potential use of toxicological epigenetics in regulatory environments. An international team of experts consider the interplay between epigenetics and toxicology in a number of areas, including environmental, nutritional, pharmacological, and computational toxicology, nanomaterials, proteomics and metabolomics, and cancer research. Topics covered include: environment, epigenetics and diseases DNA methylation and toxicogenomics chromatin at the intersection of disease and therapy epigenomic actions of environmental arsenicals environment, epigenetics and cardiovascular health toxicology, epigenetics and autoimmunity ocular epigenomics: potential sites of environmental impact in development and disease nuclear RNA silencing and related phenomena in animals epigenomics – impact for drug safety sciences methods of global epigenomic profiling transcriptomics: applications in epigenetic toxicology Toxicology and Epigenetics is an essential insight into the current trends and future directions of research in this rapidly expanding field for investigators, toxicologists, risk assessors and regulators in academia, industry and government.

A practical, easily accessible guide for bench-top chemists, this book focuses on accurately applying computational chemistry techniques to everyday chemistry problems. Provides nonmathematical explanations of advanced topics in computational chemistry. Focuses on when and how to apply different computational techniques. Addresses computational chemistry connections to biochemical systems and polymers. Provides a prioritized list of methods for attacking difficult computational chemistry problems, and compares advantages and disadvantages of various approximation techniques. Describes how the choice of methods of software affects requirements for computer memory and processing time.

A practical approach to the computational methods used to solve real-world dynamics problems Computational dynamics has grown rapidly in recent years with the advent of high-speed digital computers and the need to develop simulation and analysis computational capabilities for mechanical and aerospace systems that consist of interconnected bodies. Computational Dynamics, Second Edition offers a full introduction to the concepts, definitions, and techniques used in multibody dynamics and presents essential topics concerning kinematics and dynamics of motion in two and three dimensions. Skillfully organized into eight chapters that mirror the standard learning sequence of computational dynamics courses, this Second Edition begins with a discussion of classical techniques that review some of the fundamental concepts and formulations in the general field of dynamics. Next, it builds on these concepts in order to demonstrate the use of the methods as the foundation for the study of computational dynamics. Finally, the book presents different computational methodologies used in the computer-aided analysis of mechanical and aerospace systems. Each chapter features simple examples that show the main ideas and procedures, as well as straightforward problem sets that facilitate learning and help readers build problem-solving skills. Clearly written and ready to apply, Computational Dynamics, Second Edition is a valuable reference for both aspiring and practicing mechanical and aerospace engineers.

Computational Intelligence: Synergies of Fuzzy Logic, Neural Networks and Evolutionary Computing presents an introduction to some of the cutting edge technological paradigms under the umbrella of computational intelligence. Computational intelligence schemes are investigated with the development of a suitable framework for fuzzy logic, neural networks and evolutionary computing, neuro-fuzzy systems, evolutionary-fuzzy systems and evolutionary neural systems. Applications to linear and non-linear systems are discussed with examples. Key features: Covers all the aspects of fuzzy, neural and evolutionary approaches with worked out examples, MATLAB® exercises and applications in each chapter Presents the synergies of technologies of computational intelligence such as evolutionary fuzzy neural fuzzy and evolutionary neural systems Considers real world problems in the domain of systems modelling, control and optimization Contains a foreword written by Lotfi Zadeh Computational Intelligence: Synergies of Fuzzy Logic, Neural Networks and Evolutionary Computing is an ideal text for final year undergraduate, postgraduate and research students in electrical, control, computer, industrial and manufacturing engineering.

As a guide for pharmaceutical professionals to the issues and practices of drug discovery toxicology, this book integrates and reviews the strategy and application of tools and methods at each step of the drug discovery process. • Guides researchers as to what drug safety experiments are both practical and useful • Covers a variety of key topics – safety lead optimization, in vitro-in vivo translation, organ toxicology, ADME, animal models, biomarkers, and –omics tools • Describes what experiments are possible and useful and offers a view into the future, indicating key areas to watch for new predictive methods • Features contributions from firsthand industry experience, giving readers insight into the strategy and execution of predictive toxicology practices

Computational Intelligence: An Introduction, Second Edition offers an in-depth exploration into the adaptive mechanisms that enable intelligent behaviour in complex and changing environments. The main focus of this text is centred on the computational modelling of biological and natural intelligent systems, encompassing swarm intelligence, fuzzy systems, artificial neutral networks, artificial immune systems and evolutionary computation. Engelbrecht provides readers with a wide knowledge of Computational Intelligence (CI) paradigms and algorithms; inviting readers to implement and problem solve real-world, complex problems within the CI development framework. This implementation framework will enable readers to tackle new problems without any difficulty through a single Java class as part of the CI library. Key features of this second edition include: A tutorial, hands-on based presentation of the material. State-of-the-art coverage of the most recent developments in computational intelligence with more elaborate discussions on intelligence and artificial intelligence (AI). New discussion of Darwinian evolution versus Lamarckian evolution, also including swarm robotics, hybrid systems and artificial immune systems. A section on how to perform empirical studies; topics including statistical analysis of stochastic algorithms, and an open source library of CI algorithms. Tables, illustrations, graphs, examples, assignments, Java code implementing the algorithms, and a complete CI implementation and experimental framework. Computational Intelligence: An Introduction, Second Edition is essential reading for third and fourth year undergraduate and postgraduate students studying CI. The first edition has been prescribed by a number of overseas universities and is thus a valuable teaching tool. In addition, it will also be a useful resource for researchers in Computational Intelligence and Artificial Intelligence, as well as engineers, statisticians, operational researchers, and bioinformaticians with an interest in applying AI or CI to solve problems in their domains. Check out http://www.ci.cs.up.ac.za for examples, assignments and Java code implementing the algorithms.

A Unified Summary of the Models and Optimization Methods Used in Computational Lithography Optical lithography is one of the most challenging areas of current integrated circuit manufacturing technology. The semiconductor industry is relying more on resolution enhancement techniques (RETs), since their implementation does not require significant changes in fabrication infrastructure. Computational Lithography is the first book to address the computational optimization of RETs in optical lithography, providing an in-depth discussion of optimal optical proximity correction (OPC), phase shifting mask (PSM), and off-axis illumination (OAI) RET tools that use model-based mathematical optimization approaches. The book starts with an introduction to optical lithography systems, electric magnetic field principles, and the fundamentals of optimization from a mathematical point of view. It goes on to describe in detail different types of optimization algorithms to implement RETs. Most of the algorithms developed are based on the application of the OPC, PSM, and OAI approaches and their combinations. Algorithms for coherent illumination as well as partially coherent illumination systems are described, and numerous simulations are offered to illustrate the effectiveness of the algorithms. In addition, mathematical derivations of all optimization frameworks are presented. The accompanying MATLAB® software files for all the RET methods described in the book make it easy for readers to run and investigate the codes in order to understand and apply the optimization algorithms, as well as to design a set of optimal lithography masks. The codes may also be used by readers for their research and development activities in their academic or industrial organizations. An accompanying MATLAB® software guide is also included. An accompanying MATLAB® software guide is included, and readers can download the software to use with the guide at ftp://ftp.wiley.com/public/sci_tech_med/computational_lithography. Tailored for both entry-level and experienced readers, Computational Lithography is meant for faculty, graduate students, and researchers, as well as scientists and engineers in industrial organizations whose research or career field is semiconductor IC fabrication, optical lithography, and RETs. Computational lithography draws from the rich theory of inverse problems, optics, optimization, and computational imaging; as such, the book is also directed to researchers and practitioners in these fields.