Mathematical Processing Of Spectral Data In Analytical Chemistry
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Mathematical Processing of Spectral Data in Analytical Chemistry by Joseph Dubrovkin Pdf
This book will appeal to both practitioners and researchers in industrial and university analytical laboratories, as well as students specializing in analytical spectroscopy and chemometrics. The subjects covered include the advanced principles of calibration (univariate and multivariate) and the estimation of the peak parameters in spectra with overlapping components. This book differs from existing studies on the subject in that it provides easily reproducible computer calculations illustrating its significant theoretical statements. As such, it can also serve as a practical guide to lecturers in analytical spectrometry and chemometrics.
Applications of Numerical Methods in Molecular Spectroscopy by Peter Pelikan,Michal Ceppan,Marek Liska Pdf
Applications of Numerical Methods in Molecular Spectroscopy provides a mathematical background, theoretical perspective, and review of spectral data processing methods. The book discusses methods of complex spectral profile separation into bands, factor analysis methods, methods of quantitative analysis in molecular spectroscopy and reflectance spectroscopy, and new data processing methods. Mathematical methods in special areas of molecular spectroscopy, such as color science, electron spin resonance, and nuclear magnetic resonance spectroscopies are also covered. The book will benefit researchers and postgraduate students in fields of chemistry, physics, and biology.
Chemometrics by Foo-Tim Chau,Yi-Zeng Liang,Junbin Gao,Xue-Guang Shao Pdf
Wavelet Transformations and Their Applications in Chemistry pioneers a new approach to classifying existing chemometric techniques for data analysis in one and two dimensions, using a practical applications approach to illustrating chemical examples and problems. Written in a simple, balanced, applications-based style, the book is geared to both theorists and non-mathematicians. This text emphasizes practical applications in chemistry. It employs straightforward language and examples to show the power of wavelet transforms without overwhelming mathematics, reviews other methods, and compares wavelets with other techniques that provide similar capabilities. It uses examples illustrated in MATLAB codes to assist chemists in developing applications, and includes access to a supplementary Web site providing code and data sets for work examples. Wavelet Transformations and Their Applications in Chemistry will prove essential to professionals and students working in analytical chemistry and process chemistry, as well as physical chemistry, spectroscopy, and statistics.
Chemometrics in Analytical Spectroscopy by Mike J Adams Pdf
Chemometrics in Analytical Spectroscopy 2nd Edition provides a tutorial approach to the development of chemometric techniques and their application to the interpretation of analytical spectroscopic data. From simple descriptive statistics to the more sophisticated modelling techniques of principal components analysis and partial least squares regression, this updated edition provides necessary background, enhanced by case studies. The extensive use of worked examples throughout gives Chemometrics in Analytical Spectroscopy 2nd Edition special relevance in teaching and introducing chemometrics to undergraduates and post-graduates. The book is also ideal for analysts with little specialist background. Extracts from reviews of 1st Edition: "Adams has succeeded in providing a text which is focused on analytical spectroscopy and that gently guides the reader through the concepts without recourse to too much matrix algebra." Trends in Analytical Chemistry "...a very good introductory text for those wishing to understand the workings of chemometrics techniques." The Analyst
Computer-Enhanced Analytical Spectroscopy by Henk Meuzelaar,Thomas L. Isenhour Pdf
June 1986 brought together some of the world's leaders in computer enhanced analytical spectroscopy at Snowbird, Utah, for what the attendees decided to call "The First Hidden Peak Symposium." With the remarkable advances in both computer hardware and software, it is interesting to observe that, while many computational aspects of spectroscopic analysis have become routine, some of the more fundamental problems remain unsolved. The group that assembled included many of those who started trying to interpret chemical spectroscopy when computers were ponderous, slow, and not very accessible, as well as newcomers who never knew the day that spectrometers were delivered without attached computers. The synergism was excellent. Many new ideas, as well as this volume, resulted from interactions among the participants. The conclusion was that progress would be made on more fundamen tal problems now that hardware, software, and mathematics were coming together on a more sophisticated level. The feeling was that the level of sophistication is now adequate and that it is only a matter of time before automated spectral interpretation surpasses all but the most advanced human experts.
Data Analytics in Spectroscopy by Joseph Dubrovkin Pdf
This textbook summarizes various studies and significant materials on data analytics in spectroscopy. Its rigorous mathematical basis, in-depth description, and numerous examples of applications in chemistry and physics make this book valuable for theorists, practitioners, and students specializing in data processing in spectroscopy, chemometrics, and analytical chemistry. The bibliography briefly describes hundreds of data analytics applications for solving spectroscopic tasks in industrial and research laboratories. This book differs from existing brief reviews and articles on this topic in that it forms, for the first time, the big picture of all kinds of data analytics methods in spectroscopy. The book also provides quickly reproducible computer calculations to illustrate its significant theoretical statements. As such, it can also serve as a practical guide to lecturers in data analytics in the broad field of spectroscopy, including chemometrics and analytical chemistry.
Chemometrics by Foo-Tim Chau,Yi-Zeng Liang,Junbin Gao,Xue-Guang Shao Pdf
Wavelet Transformations and Their Applications in Chemistry pioneers a new approach to classifying existing chemometric techniques for data analysis in one and two dimensions, using a practical applications approach to illustrating chemical examples and problems. Written in a simple, balanced, applications-based style, the book is geared to both theorists and non-mathematicians. This text emphasizes practical applications in chemistry. It employs straightforward language and examples to show the power of wavelet transforms without overwhelming mathematics, reviews other methods, and compares wavelets with other techniques that provide similar capabilities. It uses examples illustrated in MATLAB codes to assist chemists in developing applications, and includes access to a supplementary Web site providing code and data sets for work examples. Wavelet Transformations and Their Applications in Chemistry will prove essential to professionals and students working in analytical chemistry and process chemistry, as well as physical chemistry, spectroscopy, and statistics.
This book will appeal to both practitioners and researchers in both industrial and university chemical, bio-pharmaceutical, and physical, analytical laboratories, and students specializing in analytical spectroscopy, bio-pharmaceutical analysis, chemometrics, and laser physics. It sums up the results of more than half a century of research in derivative spectroscopy, including numerical differentiation and optical modulation techniques. The bibliography also briefly describes hundreds of derivative spectroscopic (classic optical and laser) and non-spectroscopic (chromatography, electrochemistry, and other) methods in industrial and research laboratories. This book differs from existing studies on the subject in that it offers, for the first time, the big picture of all kinds of spectroscopic and non-spectroscopic derivative methods. Also, the book provides quickly reproducible computer calculations illustrating its significant theoretical statements. As such, it can also serve as a practical guide to lecturers in analytical chemistry, chemometrics, and spectroscopy.
Chemometrics-based Spectroscopy for Pharmaceutical and Biomedical Analysis by Hoang Vu Dang,Federico Marini Pdf
Chemometrics is the application of mathematics and statistics to chemical data in order to design or select optimal experimental procedures, to provide maximum relevant information, and to obtain knowledge about systems under study. This chemical discipline has constantly developed to become a mature field of Analytical Chemistry after its inception in the 1970s. The utility and versatility of chemometric techniques enable spectroscopists to perform multidimensional classification and/or calibration of spectral data that make identification and quantification of analytes in complex mixtures possible.Wavelets are mathematical functions that cut up data into different frequency components, and then study each component with a resolution matched to its scale. They are now being adapted for a vast number of signal processing due to their unprecedented success in terms of asymptotic optimality, spatial adaptivity and computational efficiency. In analytical chemistry, they have increasingly shown great applicability and have been preferred over existing signal processing algorithms in noise removal, resolution enhancement, data compression and chemometrics modeling in chemical studies.The aim of this Research Topic is to present state-of-the-art applications of chemometrics, in the field of spectroscopy, with special attention to the use of wavelet transform. Both reviews and original research articles on pharmaceutical and biomedical analysis are welcome in the specialty section Analytical Chemistry.
Data Compression in Spectroscopy by Joseph Dubrovkin Pdf
This book summarizes studies and major materials on data compression methods in analytical spectroscopy, including some important topics on imaging. Its rigorous mathematical basis, in-depth detailed description, and numerous examples of the applications in chemistry and physics will be of value for theorists, practitioners, and students specializing in spectroscopy, chemometrics, and analytical chemistry.This text differs from existing brief reviews and articles on this topic in that it forms, for the first time, an overview of all kinds of compression methods in spectroscopy. In addition, it.
Principles and Practice of Spectroscopic Calibration by Howard Mark Pdf
Dealing with the principles of calibration--both the theoretical and mathematical constructs which relate features of calibration equations to the physical phenomena that affect instruments and samples used on generating information. Among derivations in leading spectroscopic and statistical literature, numerous necessary mathematical derivations have been specifically designed for this book. Covers the practical aspects of generating a calibration equation including how to recognize and deal with various types of problems affecting calibration dataset, relating theoretical ideas, and their affect on data and how to deal with unusual situations.
Multielement Detection Systems for Spectrochemical Analysis by Kenneth W. Busch,Marianna A. Busch Pdf
Presents a unified treatment of multichannel detection systems in the uv/visible range of the spectrum as they relate to multielement spectrochemical analysis. Bridges the gap between the physics and engineering aspects of multichannel detection and analytical chemistry. First section deals with the foundation optical principles of modern experimental spectroscopy. Second section treats the basic operation of detectors for optical spectroscopy, and the third discusses topics related to combining detectors with optical spectrometers to produce detection systems for multielement analysis.
Green Analytical Chemistry by Mihkel Koel,Mihkel Kaljurand Pdf
Concerns about environmental pollution, global climate change and hazards to human health have increased dramatically. This has led to a call for change in chemical processes including those that are part of chemical analysis. The development of analytical chemistry continues and every new discovery in chemistry, physics, molecular biology, and materials science brings new opportunities and challenges. Yet, contemporary analytical chemistry does not consume resources optimally. Indeed, the usage of toxic chemical compounds is at the highest rate ever. All this makes the emerging field of green chemistry a “hot topic” in industrial, governmental laboratories as well as in academia. This book starts by introducing the twelve principles of green chemistry. It then goes on to discuss how the principles of green chemistry can be used to assess the ‘greenness’ of analytical methodologies. The ‘green profile’ proposed by the ACS Green Chemistry Institute is also presented. A chapter on “Greening” sample preparation describes approaches to minimizing toxic solvent use, using non-toxic alternatives, and saving energy. The chapter on instrumental methods describes existing analytical approaches that are inherently green and making non-green methods greener. The final chapter on signal acquisition describes how quantitative structure-property relationship (QSPR) ideas could reduce experimental work thus making analysis greener. The book concludes with a discussion of how green chemistry is both possible and necessary. Green Analytical Chemistry is aimed at managers of analytical laboratories but will also interest teachers of analytical chemistry and green public policy makers.
Mathematical Analysis of Spectral Orthogonality by John Kalivas Pdf
This work provides an integrated treatment of multivariate approximation methods used in quantitative spectral analysis, focusing on the multicollinearity problem of spectral measurements. It shows how to assess the degree of multicollinearity in a set of spectra and introduces techniques that yield accurate approximations even in the presence of poor spectral orthogonality.
Laser Induced Breakdown Spectroscopy (LIBS) by Vivek K. Singh,Durgesh K. Tripathi,Yoshihiro Deguchi,Zhenzhen Wang Pdf
Laser Induced Breakdown Spectroscopy (LIBS) Essential resource covering the field of LIBS, with respect to its fundamentals, established and novel applications, and future prospects Laser Induced Breakdown Spectroscopy (LIBS), presents in two comprehensive volumes a thorough discussion of the basic principles of the method, including important recently available data which can lead to a better characterization of the LIBS plasma. This extensive work contains detailed discussions on the lasers, spectrometers, and detectors that can be used for LIBS apparatuses and describes various instrumentation, ranging from basic setups to more advanced configurations. As a modern resource, the work includes the newest advances and capabilities of LIBS instruments, featuring the recent developments of Dual-Pulse LIBS, Femtosecond LIBS, and Micro-LIBS as well as their applications. Throughout, the contributions discuss the analytical capabilities of the method in terms of detection limits, accuracy, and precision of measurements for a variety of samples. Lastly, an extensive range of applications is presented, including food technology, environmental science, nuclear reactors, nanoscience and nanotechnology, and biological and biomedical developments. Sample topics covered within the work include: iagnostics of laser induced plasma (LIP): LIBS plasma and its characteristics, factors affecting the LIBS plasma, methods of enhancing LIBS sensitivity, and LTE/non-LTE plasmas Instrumental developments in LIBS: light collection system and spectral detection systems, handheld LIBS, deep sea LIBS, and industrial sorters and analyzers Femtosecond laser ablation: laser-matter interaction, laser absorption, energy transport, ablation mechanisms and threshold, and plasma characterization Micro-analysis and LIBS imaging: microjoule laser sources, scaling libs to microjoule energies, micrometer scaling, advanced applications, and future prospects Spectroscopic and analytical scientists working with LIBS will find this wide-ranging reference immensely helpful in developing LIBS instrumentation and applications. Researchers and students in natural sciences and related programs of study will be able to use the work to acquire foundational knowledge on the method and learn about cutting-edge advancements being made in the field.
