Environmental Applications of Chemometrics PDF Download

Author: Joseph J. Breen
Publisher:
ISBN:
Category : Chemistry
Languages : en
Pages : 316

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Book Description
Analyzes the statistical requirements of complex exposure studies. Examines the problems caused by data generation that cannot be readily analyzed by using conventional univariate statistics. Offers numerous applications of chemometric techniques to real-world and complex environmental problems.

Author: Joseph J. Breen
Publisher:
ISBN: 9780608039206
Category :
Languages : en
Pages : 296

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Book Description
Analyzes the statistical requirements of complex exposure studies. Examines the problems caused by data generation that cannot be readily analyzed by using conventional univariate statistics. Offers numerous applications of chemometric techniques to real-world and complex environmental problems.

Author: Grady Hanrahan
Publisher: CRC Press
ISBN: 1420067974
Category : Science
Languages : en
Pages : 310

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Book Description
Multivariate, heterogeneous data has been traditionally analyzed using the "one at a time" variable approach, often missing the main objective of discovering the relationships among multiple variables and samples. Enter chemometrics, with its powerful tools for design, analysis, and data interpretation of complex environmental systems. Delineating the rigors of modern environmental analysis and how to effectively solve limitations through multivariate approaches, Environmental Chemometrics: Principles and Modern Applications provides an introduction and practical guide to chemometric methods used in environmental chemical analysis. The text begins with an overview of chemometrics in relation to quantitative environmental analysis and a review of descriptive statistical concepts. Building on this, the author covers environmental sampling considerations, experimental design and optimization techniques, multivariate analysis of environmental and chemical data sets, time series analysis, and quality assurance and method validation. Each chapter contains problem-oriented exercises and research applications from the author’s own work and from other experts in the field. The author’s presentation of the basic principles of these methods together with real applications in the field of environmental chemistry makes the comprehension of complex environmental problems and chemically-related concepts more accessible. He covers all major areas of environmental analysis backed by studies from experts in the field. The book is a valuable tool for understanding the rapidly developing world of chemometric methods in environmental analysis.

Author: Jürgen Einax
Publisher: Springer
ISBN: 3540491503
Category : Science
Languages : en
Pages : 356

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Book Description
Pattern recognition and other chemometrical techniques are important tools in interpreting environmental data. This volume presents authoritatively state-of-the-art applications of measuring and handling environmental data. The chapters are written by leading experts.

Author: Jürgen W. Einax
Publisher: John Wiley & Sons
ISBN: 9783527287727
Category : Science
Languages : en
Pages : 404

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Book Description
J. W. Einax, H. W. Zwanziger S. Gei Chemometrics in Environmental Analysis Make the most of your data! This new title will serve both as an introduction and as a practical guide to those techniques of chemometrics which are applicable to environmental analysis. By describing the optimum methods of data analysis it will help all chemists in this field to save time and money. Because the authors demonstrate the most important chemometric methods with the aid of numerous examples, the reader will learn to solve a given problem by use of the appropriate method. Applications range from sampling, through laboratory analysis, to evaluation. Interpretation of the findings is explained clearly. The text covers not only basic methods such as univariate statistics, regression analysis, and statistical test planning, but also multivariate data analysis, for example, cluster analysis, principal components analysis, and factor and discriminant analysis. Case studies show the enormous possibilities, and the limits, of chemometric methods. The book will help all environmental analytical scientists, even those with only a basic knowledge of mathematics, to optimize the evaluation and interpretation of the results of their measurements.

Author: Mohammadreza Khanmohammadi
Publisher: Nova Science Publishers
ISBN: 9781634631174
Category : Chemometrics
Languages : en
Pages : 0

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Book Description
Known as a scientific domain in which the scientist would try to extract information from chemical systems by data-driven means, Chemometrics is a fast spreading field, being applied to solve both descriptive and predictive problems in experimental life sciences, especially in chemistry. It is defined as a highly interfacial discipline, which employs multivariate statistics, applied mathematics, and computer science via using methods frequently employed in core data-analytic, in order to address problems in chemistry, biochemistry, medicine, biology and chemical engineering. Initiated by analysts, now the discipline is widened by other chemistry discipline researches and even those from medical and biological areas. Chemometric techniques are particularly heavily used in analytical chemistry and metabolomics, and the theoretical development of chemometric methods of analysis also continues to advance the state of the art in analytical instrumentation and methodology improvements. It is an application driven discipline, and thus while the standard chemometric methodologies are very widely used industrially, academic groups are dedicated to the continued development of chemometric theory, method and application development.

Author: Kunal Roy
Publisher: John Wiley & Sons
ISBN: 1119681596
Category : Science
Languages : de
Pages : 596

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Book Description
CHEMOMETRICS AND CHEMINFORMATICS IN AQUATIC TOXICOLOGY Explore chemometric and cheminformatic techniques and tools in aquatic toxicology Chemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, and more. The book discusses different chemometric and cheminformatic tools for non-experts and their application to the analysis and modeling of toxicity data of chemicals to various aquatic organisms. You’ll learn about a variety of aquatic toxicity databases and chemometric software tools and webservers as well as practical examples of model development, including illustrations. You’ll also find case studies and literature reports to round out your understanding of the subject. Finally, you’ll learn about tools and protocols including machine learning, data mining, and QSAR and ligand-based chemical design methods. Readers will also benefit from the inclusion of: A thorough introduction to chemometric and cheminformatic tools and techniques, including machine learning and data mining An exploration of aquatic toxicity databases, chemometric software tools, and webservers Practical examples and case studies to highlight and illustrate the concepts contained within the book A concise treatment of chemometric and cheminformatic tools and their application to the analysis and modeling of toxicity data Perfect for researchers and students in chemistry and the environmental and pharmaceutical sciences, Chemometrics and Cheminformatics in Aquatic Toxicology will also earn a place in the libraries of professionals in the chemical industry and regulators whose work involves chemometrics.

Author: Kurt Varmuza
Publisher: CRC Press
ISBN: 9781420059496
Category : Science
Languages : en
Pages : 336

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Book Description
Using formal descriptions, graphical illustrations, practical examples, and R software tools, Introduction to Multivariate Statistical Analysis in Chemometrics presents simple yet thorough explanations of the most important multivariate statistical methods for analyzing chemical data. It includes discussions of various statistical methods, such as principal component analysis, regression analysis, classification methods, and clustering. Written by a chemometrician and a statistician, the book reflects the practical approach of chemometrics and the more formally oriented one of statistics. To enable a better understanding of the statistical methods, the authors apply them to real data examples from chemistry. They also examine results of the different methods, comparing traditional approaches with their robust counterparts. In addition, the authors use the freely available R package to implement methods, encouraging readers to go through the examples and adapt the procedures to their own problems. Focusing on the practicality of the methods and the validity of the results, this book offers concise mathematical descriptions of many multivariate methods and employs graphical schemes to visualize key concepts. It effectively imparts a basic understanding of how to apply statistical methods to multivariate scientific data.

Author: Richard G. Brereton
Publisher: John Wiley & Sons
ISBN: 9780470746479
Category : Science
Languages : en
Pages : 522

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Book Description
Over the past decade, pattern recognition has been one of the fastest growth points in chemometrics. This has been catalysed by the increase in capabilities of automated instruments such as LCMS, GCMS, and NMR, to name a few, to obtain large quantities of data, and, in parallel, the significant growth in applications especially in biomedical analytical chemical measurements of extracts from humans and animals, together with the increased capabilities of desktop computing. The interpretation of such multivariate datasets has required the application and development of new chemometric techniques such as pattern recognition, the focus of this work. Included within the text are: ‘Real world’ pattern recognition case studies from a wide variety of sources including biology, medicine, materials, pharmaceuticals, food, forensics and environmental science; Discussions of methods, many of which are also common in biology, biological analytical chemistry and machine learning; Common tools such as Partial Least Squares and Principal Components Analysis, as well as those that are rarely used in chemometrics such as Self Organising Maps and Support Vector Machines; Representation in full colour; Validation of models and hypothesis testing, and the underlying motivation of the methods, including how to avoid some common pitfalls. Relevant to active chemometricians and analytical scientists in industry, academia and government establishments as well as those involved in applying statistics and computational pattern recognition.

Author: Biljana Balabanova
Publisher: Springer Nature
ISBN: 3030661350
Category : Science
Languages : en
Pages : 414

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Book Description
This volume uses chemometric mathematical modelling approaches to investigate geographic areas at risk of ecological degradation due to pollution. While most analytical approaches in environmental research involve sophisticated and sensitive instrumental techniques, this book employs chemometric techniques to create a corresponding data matrix to extract accurate and realistic environmental information in areas vulnerable to and affected by hazardous substances. The text offers case studies to establish a general framework of the opportunities, advantages, weaknesses and challenges of these mathematical approaches, and provides a chemometric model of each focus area to assess the long-distance distribution of pollutants. The case studies highlight the potential use of novel chemometric models for mitigating and preventing environmental pollution and ecological risks, while also providing reviews of the current status and developments in chemometric analysis of environmental pollution. The book will be of interest to students and researchers in environmental and agricultural chemistry, environmental pollution modelling and ecological degradation.