Books in Chemometrics

11-20 of 29 results in All results

State Estimation in Chemometrics

1st Edition
February 28, 2008
Pierre C. Thijssen
English
eBook
9 7 8 - 0 - 8 5 7 0 9 - 9 3 7 - 2

This unique text blends together state estimation and chemometrics for the application of advanced data-processing techniques. It further applies system theory in order to develop a modular framework to be implemented on computer for the development of simple intelligent analyzers. Short reviews on the history of state estimation and chemometrics are given, together with examples of the applications described, including classical estimation, state estimation, non-linear estimation, the multi-component, calibration and titration systems and the Kalman filter. The contents are very systematic and build the ideas up logically to appeal to specialist post-graduates working in this area, together with professionals in other areas of chemistry and engineering.

Practical Data Analysis in Chemistry

1st Edition
Volume 26
August 10, 2007
Marcel Maeder + 1 more
English
eBook
9 7 8 - 0 - 0 8 - 0 5 4 8 8 3 - 8

The majority of modern instruments are computerised and provide incredible amounts of data. Methods that take advantage of the flood of data are now available; importantly they do not emulate 'graph paper analyses' on the computer. Modern computational methods are able to give us insights into data, but analysis or data fitting in chemistry requires the quantitative understanding of chemical processes. The results of this analysis allows the modelling and prediction of processes under new conditions, therefore saving on extensive experimentation. Practical Data Analysis in Chemistry exemplifies every aspect of theory applicable to data analysis using a short program in a Matlab or Excel spreadsheet, enabling the reader to study the programs, play with them and observe what happens. Suitable data are generated for each example in short routines, this ensuring a clear understanding of the data structure. Chapter 2 includes a brief introduction to matrix algebra and its implementation in Matlab and Excel while Chapter 3 covers the theory required for the modelling of chemical processes. This is followed by an introduction to linear and non-linear least-squares fitting, each demonstrated with typical applications. Finally Chapter 5 comprises a collection of several methods for model-free data analyses.

Chemometrics in Spectroscopy

1st Edition
August 2, 2007
Howard Mark + 1 more
English
Hardback
9 7 8 - 0 - 1 2 - 3 7 4 0 2 4 - 3
eBook
9 7 8 - 0 - 0 8 - 0 5 4 8 3 8 - 8

Chemometrics in Spectroscopy builds upon the statistical information covered in other books written by these leading authors in the field by providing a broader range of mathematics and progressing into the fundamentals of multivariate and experimental data analysis. Subjects covered in this work include: matrix algebra, analytic geometry, experimental design, calibration regression, linearity, design of collaborative laboratory studies, comparing analytical methods, noise analysis, use of derivatives, analytical accuracy, analysis of variance, and much more are all part of this chemometrics compendium. Developed in the form of a tutorial offering a basic hands-on approach to chemometric and statistical analysis for analytical scientists, experimentalists, and spectroscopists. Without using complicated mathematics, Chemometrics in Spectroscopy demonstrates the basic principles underlying the use of common experimental, chemometric, and statistical tools. Emphasis has been given to problem-solving applications and the proper use and interpretation of data used for scientific research.

Statistical Design - Chemometrics

1st Edition
Volume 25
January 27, 2006
Roy E Bruns + 2 more
English
eBook
9 7 8 - 0 - 0 8 - 0 4 6 2 1 3 - 4

Statistical Design-Chemometrics is applicable to researchers and professionals who wish to perform experiments in chemometrics and carry out analysis of the data in the most efficient way possible. The language is clear, direct and oriented towards real applications. The book provides 106 exercises with answers to accompany the study of theoretical principles. Forty two cases studies with real data are presented showing designs and the complete statistical analyses for problems in the areas chromatography, electroanalytical and electrochemistry, calibration, polymers, gas adsorption, semiconductors, food technology, biotechnology, photochemistry, catalysis, detergents and ceramics. These studies serve as a guide that the reader can use to perform correct data analyses.

Design and Optimization in Organic Synthesis

1st Edition
Volume 24
April 8, 2005
Rolf Carlson + 1 more
English
eBook
9 7 8 - 0 - 0 8 - 0 4 5 5 2 7 - 3

Revised, and updated Design and Optimization in Organic Synthesis presents strategies to explore experimental conditions and methodologies for systematic studies of entire reaction systems (substrates, reagent(s), catalyst(s), and solvents). Chemical phenomena are not usually the result of a single factor and this book describes how statistically designed methods can be used to analyse and evaluate synthetic procedures. The methodology is based on multivariate statistical techniques. The accompanying CD contains data tables and programmes. This book is essential reading for anyone working in process design and development in fine chemicals or the pharmaceutical industry, and is suitable for those with no experience in the field.

Sample Preparation for Trace Element Analysis

1st Edition
Volume 41
December 16, 2003
Zoltan Mester + 1 more
English
eBook
9 7 8 - 0 - 0 8 - 0 5 4 5 4 8 - 6

Following the collection of a sample, every analytical chemist will agree that its subsequent preservation and processing are of paramount importance. The availability of high performance analytical instrumentation has not diminished this need for careful selection of appropriate pretreatment methodologies, intelligently designed to synergistically elicit optimum function from these powerful measurement tools. Sample Preparation for Trace Element Analysis is a modern, comprehensive treatise, providing an account of the state-of-the art on the subject matter. The book has been conceived and designed to satisfy the varied needs of the practicing analytical chemist. It is a multi-author work, reflecting the diverse expertise arising from its highly qualified contributors. The first five chapters deal with general issues related to the determination of trace metals in varied matrices, such as sampling, contamination control, reference materials, calibration and detection techniques. The second part of the book deals with extraction and sampling technologies (totaling 15 chapters), providing theoretical and practical hints for the users on how to perform specific extractions. Subsequent chapters overview seven major representative matrices and the sample preparation involved in their characterization. This portion of the book is heavily based on the preceding chapters dealing with extraction technologies. The last ten chapters are dedicated to sample preparation for trace element speciation.

Nature-inspired Methods in Chemometrics: Genetic Algorithms and Artificial Neural Networks

1st Edition
Volume 23
December 3, 2003
Riccardo Leardi
English
eBook
9 7 8 - 0 - 0 8 - 0 5 2 2 6 2 - 3

In recent years Genetic Algorithms (GA) and Artificial Neural Networks (ANN) have progressively increased in importance amongst the techniques routinely used in chemometrics. This book contains contributions from experts in the field is divided in two sections (GA and ANN). In each part, tutorial chapters are included in which the theoretical bases of each technique are expertly (but simply) described. These are followed by application chapters in which special emphasis will be given to the advantages of the application of GA or ANN to that specific problem, compared to classical techniques, and to the risks connected with its misuse. This book is of use to all those who are using or are interested in GA and ANN. Beginners can focus their attentions on the tutorials, whilst the most advanced readers will be more interested in looking at the applications of the techniques. It is also suitable as a reference book for students.