Octanol-Water Partition Coefficients

Octanol-Water Partition Coefficients
Author: James M. Sangster
Publisher: John Wiley & Sons
Total Pages: 182
Release: 1997-05-28
Genre: Science
ISBN: 9780471973973

Das Verhalten gelöster Stoffe in Octanol-Wasser-Gemischen ähnelt sehr dem im lebenden Gewebe; daher zieht man den Octanol-Wasser-Verteilungskoeffizienten logK(OW) beispielsweise zur Untersuchung des Schicksals organischer Schadstoffe in Umwelt und Nahrungsketten heran. Dieses Buch zeigt, wie man exakte Werte von logK(OW) durch Experimente und Berechnungen erhält und anwendet und führt in verständlicher Weise in physikochemische Grundlagen ein.

Exploring QSAR.: Fundamentals and applications in chemistry and biology

Exploring QSAR.: Fundamentals and applications in chemistry and biology
Author: Corwin Hansch
Publisher:
Total Pages: 584
Release: 1995
Genre: Medical
ISBN:

[Volume 2]: This volume contains comprehensive tables of physicochemical parameters (substituent constants and octanol-water log P values) that are necessary for Quantitative Structure-Activity Relationships (QSAR) and qualitative SAR. Almost all of the world's environmental protection agencies require log P values for new industrial chemicals. These values were collected over 25 years by two of the most renowned researchers in the field.

Environmental Organic Chemistry

Environmental Organic Chemistry
Author: René P. Schwarzenbach
Publisher: John Wiley & Sons
Total Pages: 1329
Release: 2005-06-24
Genre: Science
ISBN: 0471743992

Environmental Organic Chemistry focuses on environmental factors that govern the processes that determine the fate of organic chemicals in natural and engineered systems. The information discovered is then applied to quantitatively assessing the environmental behaviour of organic chemicals. Now in its 2nd edition this book takes a more holistic view on physical-chemical properties of organic compounds. It includes new topics that address aspects of gas/solid partitioning, bioaccumulation, and transformations in the atmosphere. Structures chapters into basic and sophisticated sections Contains illustrative examples, problems and case studies Examines the fundamental aspects of organic, physical and inorganic chemistry - applied to environmentally relevant problems Addresses problems and case studies in one volume

Optimization in HPLC

Optimization in HPLC
Author: Stavros Kromidas
Publisher: John Wiley & Sons
Total Pages: 418
Release: 2021-11-08
Genre: Science
ISBN: 3527347895

Learn to maximize the performance of your HPLC or UHPLC system with this resource from leading experts in the field Optimization in HPLC: Concepts and Strategies delivers tried-and-tested strategies for optimizing the performance of HPLC and UHPLC systems for a wide variety of analytical tasks. The book explains how to optimize the different HPLC operation modes for a range of analyses, including small molecules, chiral substances, and biomolecules. It also shows readers when and how computational tools may be used to optimize performance. The practice-oriented text describes common challenges faced by users and developers of HPLC and UHPLC systems, as well as how those challenges can be overcome. Written for first-time and experienced users of HPLC technology and keeping pace with recent developments in HPLC instrumentation and operation modes, this comprehensive guide leaves few questions unanswered. Readers will also benefit from the inclusion of: A thorough introduction to optimization strategies for different modes and uses of HPLC, including working under regulatory constraints An exploration of computer aided HPLC optimization, including ChromSwordAuto and Fusion QbD A treatment of current challenges for HPLC users in industry as well as large and small analytical service providers Discussions of current challenges for HPLC equipment suppliers Tailor-made for analytical chemists, chromatographers, pharmacologists, toxicologists, and lab technicians, Optimization in HPLC: Concepts and Strategies will also earn a place on the shelves of analytical laboratories in academia and industry who seek a one-stop reference for optimizing the performance of HPLC systems.

Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Second Edition

Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Second Edition
Author: Donald Mackay
Publisher: CRC Press
Total Pages: 1000
Release: 2006-03-14
Genre: Science
ISBN: 9781566706872

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

A Primer on QSAR/QSPR Modeling

A Primer on QSAR/QSPR Modeling
Author: Kunal Roy
Publisher: Springer
Total Pages: 129
Release: 2015-04-11
Genre: Science
ISBN: 3319172816

This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.

Modern Sample Preparation for Chromatography

Modern Sample Preparation for Chromatography
Author: Serban C. Moldoveanu
Publisher: Elsevier
Total Pages: 698
Release: 2021-02-24
Genre: Science
ISBN: 0323898203

Modern Sample Preparation for Chromatography, Second Edition explains the principles of sample preparation for chromatographic analysis. A variety of procedures are applied to make real-world samples amenable for chromatographic analysis and to improve results. This book's authors discuss each procedure's advantages, disadvantages and their applicability to different types of samples, along with their fit for different types of chromatographic analysis. The book contains numerous literature references and examples of sample preparation for different matrices and new sections on green approaches in sample preparation, progress in automation of sample preparation, non-conventional solvents for LLE (ionic liquids, deep eutectic mixtures, and others), and more. - Presents numerous techniques applied for sample preparation for chromatographic analysis - Provides an up-to-date source of information regarding the progress made in sample preparation for chromatography - Describes examples for specific types of matrices, providing a guide for choosing the appropriate sample preparation method for a given analysis