Handbook Of Property Estimation Methods For Chemicals

Author: Donald Mackay
Publisher: CRC Press
ISBN: 1420026283
Size: 63.67 MB
Format: PDF
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A complete restructuring and updating of the classic 1982 Handbook of Chemical Property Estimation Methods (commonly known as "Lyman's Handbook"), the Handbook of Property Estimation Methods for Chemicals: Environmental and Health Sciences reviews and recommends practical methods for estimating environmentally important properties of organic chemicals. One of the most eagerly anticipated revisions in scientific publishing, the new Handbook includes both a foreword and a chapter by Dr. Lyman. Written for convenient and frequent use, each chapter integrates recent developments while retaining the elements that made the first version a classic. As a reference tool, the New Edition is indispensable. It comprehensively reviews recent developments in chemical property estimation methods and focuses on the properties most critical to environmental fate assessment.

In Silico Toxicology

Author: Mark Cronin
Publisher: Royal Society of Chemistry
ISBN: 1849732094
Size: 71.28 MB
Format: PDF, ePub
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In Silico methods to predict toxicity have become increasingly important recently, particularly in light of European legislation such as REACH and the Cosmetics Regulation. They are also being used extensively worldwide e.g. in the USA, Canada, Japan and Australia. In assessing the risk that a chemical may pose to human health or to the environment, focus is now being directed towards exploitation of in silico methods to replace in vivo or in vitro techniques. A prediction of potential toxicity requires several stages: 1) Collation and organisation of data available for the compound, or if this is not available, information for related compounds. 2) An assessment of the quality of the data. 3) Generation of additional information about the compound using computational techniques at various levels of complexity - calculation of physico-chemical properties, 2-D, 3-D / MO descriptors and specific receptor modelling / interaction. 4) Use of an appropriate strategy to predict toxicity - ie a statistically valid method which makes best use of all available information (mechanism of action, activity for related compounds, extrapolation across species and endpoints, likely exposure scenario amounts over time etc). 5) Consideration then needs to be given to how this information is used in the real world ie use of expert systems / tools as relevant to assessors (if sufficiently different to previous) - weight of evidence approaches. 6) Finally evidence should be presented from case studies within this area. No other publication brings together information on all of these areas in one book and this publication is unique in that it provides a logical progression through every one of these key stages and defines the use of computational approaches to predict the environmental toxicity and human health effects of organic chemicals. The volume is aimed at the developers and users of in silico toxicology and provides an analysis of all aspects required for in silico prediction of toxicology, including data collation, quality assessment and computational approaches. The contributions from recognised leaders in each of these areas include evidence of the use and applicability of approaches using real world case studies concerning both environmental and human health effects. The book provides a very useful single source reference for people working in this area including academics, professionals, under- and post-graduate students as well as Governmental Regulatory Scientists involved in chemical risk assessment and REACH.

Chemicals In The Environment

Author: R M Harrison
Publisher: Royal Society of Chemistry
ISBN: 1847552447
Size: 21.35 MB
Format: PDF, Kindle
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Rising concern in recent years over the possible adverse environmental consequences of the use of chemicals has led to a steady increase in national activity towards greater regulation, as well as voluntary agreements with manufacturers for risk management of certain products. This book begins by reviewing the current framework of legislation for the regulation of chemicals in the UK and then reports expert views on both the current situation and possible future developments. Subsequent chapters consider some of the scientific and technical issues, including the evaluation of the risks which chemicals can pose to human life and the environment, and the problems relating to evaluating the risks associated with metals in the environment. Finally, the predictive methods used to model the behaviour of organic chemicals within the environment are described. Highly topical, and with authoritative contributions from international experts, this book covers both the scientific underpinning and the legislative and practical issues of this emotive subject. The detailed coverage of a topic that affects many sectors of industry and society will make it popular with a wide audience of individuals from government organisations, industry or academic research, particularly those in environmental chemistry sectors.

Handbook Of Chemical Mass Transport In The Environment

Author: Louis J. Thibodeaux
Publisher: CRC Press
ISBN: 1420047566
Size: 14.14 MB
Format: PDF, Mobi
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A comprehensive account of the state of the science of environmental mass transport Edited by Louis J. Thibodeaux and Donald Mackay, renowned experts in this field, the Handbook of Chemical Mass Transport in the Environment covers those processes which are critically important for assessing chemical fate, exposure, and risk. In a comprehensive and authoritative format, this unique handbook provides environmental chemists, geoscientists, engineers, and modelers with the essential capabilities to understand and quantify transport. In addition, it offers a one-stop resource on environmental mass transfer and mass transport coefficient estimation methods for all genres. The book begins by discussing mass transport fundamentals from an environmental perspective. It introduces the concept of mobility — key to environmental fate, since transport must occur prior to any reaction or partitioning within the natural multimedia compartments. The fugacity approach to environmental mass transfer and the conventional approach are examined. This is followed by a description of the individual mass transport processes and the appropriate flux equations required for a quantitative expression. The editors have identified 41 individual processes believed to be the most environmentally significant, which form the basis for the remainder of the book Using a consistent format for easy reference, each chapter: Introduces the specific processes Provides a detailed qualitative description Presents key theoretical mathematical formulations Describes field or laboratory measurements of transport parameters Gives data tables and algorithms for numerical estimates Offers a guide for users familiar with the process who are seeking a direct pathway to obtain the numerical coefficients Presents computed example problems, case studies and/or exercises with worked-through solutions and answers The final chapter presents the editors’ insight into future needs and emerging priorities. Accessible and relevant to a broad range of science and engineering users, this volume captures the state of the transport science and practice in this critical area.

Multimedia Environmental Models

Author: Donald Mackay
Publisher: CRC Press
ISBN: 1420032542
Size: 20.55 MB
Format: PDF, Mobi
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Completely revised and updated, Multimedia Environmental Models: The Fugacity Approach, Second Edition continues to provide simple techniques for calculating how chemicals behave in the environment, where they accumulate, how long they persist, and how this leads to human exposure. The book develops, describes, and illustrates the framework and procedures for calculating the behavior of chemicals in our multimedia environment of air, water, soil, and sediments, as well as the diversity of biota that reside in these media. While other books focus on specific compartments, such as the atmosphere, or specific substances, such as PCBs, this book presents the big picture of how organic chemicals behave in the total environment. It does this by providing examples of calculation methods based on the fugacity approach and explaining how to access up-to-date property databases and estimation methods as well as computer programs, which are available from the Internet. In addition, the models are Web based, instead of on a floppy disk as in the previous edition. Building on the work developed in the First Edition, the Second Edition includes: A how-to modeling section, more worked examples and problems- most with solutions and answers Expanded treatment of structure-activity relationships and modern estimation methods More material illustrating applications to bioaccumulation is specific organisms and food webs Emphasis on current efforts to identify PBT chemicals and exposure analysis as a component of risk assessment Examples that provide each step of modeling calculations Web-based models, and references to property databases, estimation methods, and computer programs from the Internet When you need to make assessments of chemical behavior you need current, comprehensive. Multimedia Environmental Models: The Fugacity Approach provides you with not only an understanding of how the multitude of organic chemicals behave in the total environment, but also with practical examples of how this behavior can be predicted using the fugacity approach.

Chemical Property Estimation

Author: Edward Baum
Publisher: CRC Press
ISBN: 9780873719384
Size: 20.54 MB
Format: PDF, ePub
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Our world is widely contaminated with damaging chemicals, and companies create thousands of new, potentially dangerous chemicals each year. Due to the difficulty and expense of obtaining accurate measurements and the unreliability of reported values, we know surprisingly little about the properties of these contaminants. Determining the properties of chemicals is critical to judging their impact on environmental quality and in making decisions about emission rates, clean-up, and other important public health issues. Chemical Property Estimation describes modern methods of estimating chemical properties, methods which cost much less than traditional laboratory techniques and are sufficiently accurate for most environmental applications. Estimation methods are used to screen chemicals for testing, design monitoring and analysis methods, design clean-up procedures, and verify experimental measurements. The book discusses key methods for estimating chemical properties and considers their relative strengths and weaknesses. Several chapters are devoted to the partitioning of chemicals between air, water, soil, and biota; and properties such as solubility, vapor pressure, and chemical transport. Each chapter begins with a review of relevant theory and background information explaining the applications and limitations of each method. Sample calculations and practical advice on how and when to use each method are included as well. Each method is evaluated for accuracy and reliability. Computer software, databases, and internet resources are evaluated, as well as other supplementary material, such as fundamental constants, units of measure, and more.

Handbook On The Toxicology Of Metals

Author: Gunnar F. Nordberg
Publisher: Academic Press
ISBN: 0123973392
Size: 57.63 MB
Format: PDF, Kindle
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Handbook on the Toxicology of Metals, Fourth Edition bridges the gap between established knowledgebase and new advances in metal toxicology to provide one essential reference for all those involved in the field. This book provides comprehensive coverage of basic toxicological data, emphasizing toxic effects primarily in humans, but also those of animals and biological systems in vitro. The fourth edition also contains several new chapters on important topics such as nanotoxicology, metals in prosthetics and dental implants, gene-environment interaction, neurotoxicology, metals in food, renal, cardiovascular, and diabetes effects of metal exposures and more. Volume I covers “General Considerations and Volume II is devoted to “Specific Metals. A multidisciplinary resource with contributions from internationally-recognized experts, the fourth edition of the Handbook on the Toxicology of Metals is a prominent and indispensable reference for toxicologists, physicians, pharmacologists, engineers, and all those involved in the toxicity of metals. Contains 61 peer reviewed chapters dealing with the effects of metallic elements and their compounds on biological systems Includes information on sources, transport and transformation of metals in the environment and on certain aspects of the ecological effects of metals to provide a basis for better understanding of the potential for adverse effects on human health Covers the toxicology of metallic nanomaterials in a new comprehensive chapter Metal toxicology in developing countries is dealt with in another new chapter emphasizing the adverse effects on human health by the inadequate handling of "ewaste Other new chapters in the 4th edition include: Toxic metals in food; Toxicity of metals released from medical devices; Gene-environment interactions; Neurotoxicology of metals; Cardiovascular disease; Renal effects of exposure to metals; Gold and gold mining; Iridium; Lanthanum; Lithium and Rhodium

Handbook Of Physical Chemical Properties And Environmental Fate For Organic Chemicals Second Edition

Author: Donald Mackay
Publisher: CRC Press
ISBN: 9781566706872
Size: 52.56 MB
Format: PDF, ePub, Mobi
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Transport and transformation processes are key for determining how humans and other organisms are exposed to chemicals. These processes are largely controlled by the chemicals’ physical-chemical properties. This new edition of the Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals is a comprehensive series in four volumes that serves as a reference source for environmentally relevant physical-chemical property data of numerous groups of chemical substances. The handbook contains physical-chemical property data from peer-reviewed journals and other valuable sources on over 1200 chemicals of environmental concern. The handbook contains new data on the temperature dependence of selected physical-chemical properties, which allows scientists and engineers to perform better chemical assessments for climatic conditions outside the 20–25-degree range for which property values are generally reported. This second edition of the Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals is an essential reference for university libraries, regulatory agencies, consultants, and industry professionals, particularly those concerned with chemical synthesis, emissions, fate, persistence, long-range transport, bioaccumulation, exposure, and biological effects of chemicals in the environment. This resource is also available on CD-ROM

Handbook Of Aqueous Solubility Data Second Edition

Author: Samuel H. Yalkowsky
Publisher: CRC Press
ISBN: 9781439802465
Size: 43.34 MB
Format: PDF
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Over the years, researchers have reported solubility data in the chemical, pharmaceutical, engineering, and environmental literature for several thousand organic compounds. Until the first publication of the Handbook of Aqueous Solubility Data, this information had been scattered throughout numerous sources. Now newly revised, the second edition of this landmark volume continues the tradition of providing an extensive compilation of published aqueous solubility data for a wide variety of organic nonelectrolytes and unionized weak electrolytes. Adds data on 500 more organic compounds This latest edition adds 2000 new solubility values, bringing the total count to over 18,000 data points. Almost 500 organic compounds have been added, increasing the total number to 4661. This volume includes data for pharmaceuticals, pollutants, nutrients, herbicides, and pesticides as well as agricultural, industrial, and energy-related compounds. The same convenient format Each compound is identified by a sequential number along with molecular formula, compound name, synonyms, molecular weight, Chemical Abstracts Service Registry Number, melting point, and boiling point if available. Each entry has a five-point evaluation score for the quality of the reporting of the data, along with the full citation, and comments from the authors when necessary. The user-friendly format gives a clear depiction of each piece of solubility data with enough information to estimate its validity. The Handbook of Aqueous Solubility Data gives scientists in a broad range of fields a portable, accessible resource for solubility data of numerous compounds and a single system for the evaluation of the data supplied.