Molecular Structure. Understanding Steric and Electronic Effects from Molecular Mechanics

This advanced text introduces to the advanced undergraduate and graduate student the mathematical foundations of the methods needed to carry out practical applications in electronic molecular quantum mechanics, a necessary preliminary step before using commercial programmes to carry out quantum chemistry calculations. Major features of the book include: Consistent use of the system of atomic units, essential for simplifying all mathematical formulae Introductory use of density matrix techniques for interpreting properties of many-body systems An introduction to valence bond methods with an explanation of the origin of the chemical bond A unified presentation of basic elements of atomic and molecular interactions The book is intended for advanced undergraduate and first-year graduate students in chemical physics, theoretical and quantum chemistry. In addition, it is relevant to students from physics and from engineering sub-disciplines such as chemical engineering and materials sciences.

An essential resource for graduate students, academic and industrial toxicologists, and environmental health scientists and professionals Over the course of thirty years and three editions, Introduction to Biochemical Toxicology has been an important source for coverage of the ongoing quest to define the biochemical, cellular, and molecular events induced by toxicants at the cellular and organismic levels. Now, as the principles and methods of molecular and cellular biology as well as genomic sciences play an ever increasing role in mechanistic toxicology, significant changes have been made to the book, resulting in this important new edition-now titled Molecular and Biochemical Toxicology, Fourth Edition. Much more than an introductory text, this crucial new edition has been completely revised to provide timely and thorough coverage of the underlying biochemical, molecular, and cellular mechanisms through which toxicants produce their adverse effects. Toxicological issues are covered from the molecule to the cell to the organ level. Complex methods used in toxicology are also described in a straightforward, easy-to-understand style. Additional features of this new edition include: New chapters that explore the interface between toxicology and genomic sciences, including: bioinformatics, proteomics, metabolomics, and toxicogenomics Increased emphasis on structure, mechanism, and regulation of xenobiotic metabolizing enzymes, toxicogenetics, and xenobiotic transporters Additional new chapters on: molecular epidemiology and genetic susceptibility, DNA damage and mutagenesis, DNA repair, mechanisms of cell death, mitochondrial dysfunction, metals, reproductive toxicology, developmental toxicology, and reactive oxygen/metabolites and toxicity Molecular and Biochemical Toxicology, Fourth Edition guides graduate students, toxicologists, and environmental health professionals through the principles of molecular and biochemical toxicology and the complex mechanisms of toxicity. Whether it's used in the classroom or in industry, research, or academia, this book is essential for anyone interested in understanding the molecular mechanisms through which toxicants produce adverse effects.

An introduction to the interdisciplinary subject of molecular electronics, revised and updated The revised second edition of Organic and Molecular Electronics offers a guide to the fabrication and application of a wide range of electronic devices based around organic materials and low-cost technologies. Since the publication of the first edition, organic electronics has greatly progressed, as evidenced by the myriad companies that have been established to explore the new possibilities. The text contains an introduction into the physics and chemistry of organic materials, and includes a discussion of the means to process the materials into a form (in most cases, a thin film) where they can be exploited in electronic and optoelectronic devices. The text covers the areas of application and potential application that range from chemical and biochemical sensors to plastic light emitting displays. The updated second edition reflects the recent progress in both organic and molecular electronics and: Offers an accessible resource for a wide range of readers Contains a comprehensive text that covers topics including electrical conductivity, optical phenomena, electroactive organic compounds, tools for molecular electronics and much more Includes illustrative examples based on the most recent research Presents problems at the end of each chapter to help reinforce key points Written mainly for engineering students, Organic and Molecular Electronics: From Principles to Practice provides an updated introduction to the interdisciplinary subjects of organic electronics and molecular electronics with detailed examples of applications.

This fascinating book draws it subject matter from a range of relevant disciplines that extend from molecular nutrition, nutritional sciences, and nutrition dietetics through to genetics, genomics, and anthropology. It presents a vital portrait of the absolutely fundamental role that nutrition has played and continues to play in shaping who and what human beings are, as well as where they evolved from, and where they may be heading as a species. Molecular Nutrition: Nutrition and the Evolution of Humankind: Blends coverage of the molecular mechanisms that underpin nutrient-gene interactions with evolutionary theory Takes a molecular biological approach to problem solving, and moves nutrition away from its dietetic and anthropological origins to the front lines of genomic research Covers key concepts in molecular biology; the –omics revolution and bioinformatics; recent human evolution; molecular mechanisms of gene-nutrient interactions; the importance of nutrients and genomics in disease; the evolution of micronutrient metabolism, protein structure, and human disease; nutrients and the human lifecycle; contemporary dietary patterns; leading-edge laboratory tools in nutrigenomics and human evolutionary studies Written by an internationally recognised expert in the field, Molecular Nutrition: Nutrition and the Evolution of Humankind is an invaluable text and reference book for a wide range of teachers, students, and researchers.

In the current era of complete genome sequencing, Bioinformatics and Molecular Evolution provides an up-to-date and comprehensive introduction to bioinformatics in the context of evolutionary biology. This accessible text: provides a thorough examination of sequence analysis, biological databases, pattern recognition, and applications to genomics, microarrays, and proteomics emphasizes the theoretical and statistical methods used in bioinformatics programs in a way that is accessible to biological science students places bioinformatics in the context of evolutionary biology, including population genetics, molecular evolution, molecular phylogenetics, and their applications features end-of-chapter problems and self-tests to help students synthesize the materials and apply their understanding is accompanied by a dedicated website – www.blackwellpublishing.com/higgs – containing downloadable sequences, links to web resources, answers to self-test questions, and all artwork in downloadable format (artwork also available to instructors on CD-ROM). This important textbook will equip readers with a thorough understanding of the quantitative methods used in the analysis of molecular evolution, and will be essential reading for advanced undergraduates, graduates, and researchers in molecular biology, genetics, genomics, computational biology, and bioinformatics courses.

With a focus on functional relationships between drugs and their targets, this book covers basic and general pharmacology, from a cellular and molecular perspective, with particular attention to the mechanisms of drug action – the fundamental basis for proper clinical use- without neglecting clinical application, toxicology and pharmacokinetics. • Covers cell and molecular pharmacology, bringing together current research on regulation of drug targets, at a level appropriate for advanced undergrad and graduate students • Discusses the relevance of pharmacokinetics and drug development for the clinical application of drugs • Presents material from the perspective of drug targets and interaction, the theoretical basis of drug action analysis, and drug properties • Focuses on structure-function relationships of drug targets – informing about their biochemical and physiologic functions and experimental and clinical pathways for drug discovery and development • Has a companion website that offers a host of resources: short additional chapters about methodology, topics at the forefront of research, all figures and tables from the book, and Power Point slides

Molecular and Cellular Therapeutics aims to bring together key developments in the areas of molecular diagnostics, therapeutics and drug discovery. The book covers topics including diagnostics, therapeutics, model systems, clinical trials and drug discovery. The developing approaches to molecular and cellular therapies, diagnostics and drug discovery are presented in the context of the pathologies they are devised to treat.

Toxicology is the study of the adverse effects of chemical, physical, or biological agents on people, animals, and the environment. Toxicologists are trained to investigate, interpret, and communicate the nature of those effects. Over the last ten years the subject of toxicology has changed dramatically, moving from a discipline which was once firmly wedded to traditional methods to one which is keen to embrace the innovative techniques emerging from the developing fields of cell culture and molecular biology. There is an acute need for this to be reflected in a paradigm shift which takes advantage of the opportunities offered by modern developments in the life sciences, including new in vitro and in silico approaches, alternative whole organism (non-mammalian) models and the exploitation of ‘omics methods, high throughput screening (HTS) techniques and molecular imaging technologies. This concise, accessible introduction to the field includes the very latest concepts and methodologies. It provides MSc, PhD and final year undergraduate students in pharmacy, biomedical and life sciences, as well as individuals starting out in the cosmetics, consumer products, pharmaceutical and testing industries, with everything they need to know to get to grips with the fast moving field of toxicology and the current approaches used in the risk assessment of drugs and chemicals.

State-of-the-art techniques for tapping the vast potential of polymers The use of specific non-covalent interactions to control polymer structure and properties is a rapidly emerging field with applications in diverse disciplines. Molecular Recognition and Polymers covers the fundamental aspects and applications of molecular recognition—in the creation of novel polymeric materials for use in drug delivery, sensors, tissue engineering, molecular imprinting, and other areas. This reference begins by explaining the fundamentals of supramolecular polymers; it progresses to cover polymer formation and self-assembly with a wide variety of examples, and then includes discussions of biomolecular recognition using polymers. With chapters contributed by the foremost experts in their fields, this resource: Provides an integrated resource for supramolecular chemistry, polymer science, and interfacial science Covers advanced, state-of-the-art techniques used in the design and characterization of non-covalent interactions in polymers Illustrates how to tailor the properties of polymeric materials for various applications Stand-alone chapters address specific applications independently for easy reference. This is a premier resource for graduate students and researchers in polymer chemistry, supramolecular chemistry, materials science, and physical organic chemistry.

The miniaturization of bulky devices and machines is a process that confronts us on a daily basis. However, nanoscale machines with varied and novel characteristics may also result from the enlargement of extremely small building blocks, namely individual molecules. This bottom-up approach to nanotechnology is already being pursued in information technology, with many other branches about to follow. – Written by a team of experienced authors headed by Vincenzo Balzani, one of the pioneers in the development of molecular machines – Covers such diverse aspects as sensors, memory components, solar energy conversion, biomolecules as molecular machines, and much more – Presented in a lucid style and didactically structured, with both the expert and the newcomer in mind – Includes a glossary of terms and numerous references to the recent literature Be among the first to explore the fascinating possibilities of this future-oriented technology! A must-have for every chemist and materials scientist with an interest in nanotechnology.