Mathematical Processing of Spectral Data in Analytical Chemistry

Mathematical Processing of Spectral Data in Analytical Chemistry

Author: Joseph Dubrovkin

Publisher: Cambridge Scholars Publishing

Published: 2019-01-22

Total Pages: 379

ISBN-13: 1527526666

DOWNLOAD EBOOK

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.


Book Synopsis Mathematical Processing of Spectral Data in Analytical Chemistry by : Joseph Dubrovkin

Download or read book Mathematical Processing of Spectral Data in Analytical Chemistry written by Joseph Dubrovkin and published by Cambridge Scholars Publishing. This book was released on 2019-01-22 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Applications of Numerical Methods in Molecular Spectroscopy

Author: Peter Pelikan

Publisher: CRC Press

Published: 2020-11-25

Total Pages: 368

ISBN-13: 100009894X

DOWNLOAD EBOOK

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.


Book Synopsis Applications of Numerical Methods in Molecular Spectroscopy by : Peter Pelikan

Download or read book Applications of Numerical Methods in Molecular Spectroscopy written by Peter Pelikan and published by CRC Press. This book was released on 2020-11-25 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Chemometrics

Author: Foo-Tim Chau

Publisher: John Wiley & Sons

Published: 2004-04-23

Total Pages: 332

ISBN-13: 0471454737

DOWNLOAD EBOOK

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.


Book Synopsis Chemometrics by : Foo-Tim Chau

Download or read book Chemometrics written by Foo-Tim Chau and published by John Wiley & Sons. This book was released on 2004-04-23 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Data Analytics in Spectroscopy

Data Analytics in Spectroscopy

Author: Joseph Dubrovkin

Publisher: Cambridge Scholars Publishing

Published: 2024-02-06

Total Pages: 511

ISBN-13: 1527580377

DOWNLOAD EBOOK

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.


Book Synopsis Data Analytics in Spectroscopy by : Joseph Dubrovkin

Download or read book Data Analytics in Spectroscopy written by Joseph Dubrovkin and published by Cambridge Scholars Publishing. This book was released on 2024-02-06 with total page 511 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Computer-Enhanced Analytical Spectroscopy

Computer-Enhanced Analytical Spectroscopy

Author: Henk Meuzelaar

Publisher: Springer Science & Business Media

Published: 2013-03-08

Total Pages: 280

ISBN-13: 1468453688

DOWNLOAD EBOOK

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.


Book Synopsis Computer-Enhanced Analytical Spectroscopy by : Henk Meuzelaar

Download or read book Computer-Enhanced Analytical Spectroscopy written by Henk Meuzelaar and published by Springer Science & Business Media. This book was released on 2013-03-08 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Chemometrics in Analytical Spectroscopy

Chemometrics in Analytical Spectroscopy

Author: Mike J. Adams

Publisher:

Published: 1995

Total Pages: 216

ISBN-13: 9780854045556

DOWNLOAD EBOOK

Chemometrics in Analytical Spectroscopy provides students and practising analysts with a tutorial guide to the use and application of the more commonly encountered techniques used in processing and interpreting analytical spectroscopic data. In detail the book covers the basic elements of univariate and multivariate data analysis, the acquisition of digital data and signal enhancement by filtering and smoothing, feature selection and extraction, pattern recognition, exploratory data analysis by clustering, and common algorithms in use for multivariate calibration techniques. An appendix is included which serves as an introduction or refresher in matrix algebra. The extensive use of worked examples throughout gives Chemometrics in Analytical Spectroscopy special relevance in teaching and introducing chemometrics to undergraduates and post-graduates undertaking analytical science courses. It assumes only a very moderate level of mathematics, making the material far more accessible than other publications on chemometrics. The book is also ideal for analysts with little specialist background in statistics or mathematical methods, who wish to appreciate the wealth of material published in chemometrics.


Book Synopsis Chemometrics in Analytical Spectroscopy by : Mike J. Adams

Download or read book Chemometrics in Analytical Spectroscopy written by Mike J. Adams and published by . This book was released on 1995 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics in Analytical Spectroscopy provides students and practising analysts with a tutorial guide to the use and application of the more commonly encountered techniques used in processing and interpreting analytical spectroscopic data. In detail the book covers the basic elements of univariate and multivariate data analysis, the acquisition of digital data and signal enhancement by filtering and smoothing, feature selection and extraction, pattern recognition, exploratory data analysis by clustering, and common algorithms in use for multivariate calibration techniques. An appendix is included which serves as an introduction or refresher in matrix algebra. The extensive use of worked examples throughout gives Chemometrics in Analytical Spectroscopy special relevance in teaching and introducing chemometrics to undergraduates and post-graduates undertaking analytical science courses. It assumes only a very moderate level of mathematics, making the material far more accessible than other publications on chemometrics. The book is also ideal for analysts with little specialist background in statistics or mathematical methods, who wish to appreciate the wealth of material published in chemometrics.

Chemometrics

Chemometrics

Author: Foo-Tim Chau

Publisher: Wiley-Interscience

Published: 2004-03-25

Total Pages: 344

ISBN-13: 9780471202424

DOWNLOAD EBOOK

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.


Book Synopsis Chemometrics by : Foo-Tim Chau

Download or read book Chemometrics written by Foo-Tim Chau and published by Wiley-Interscience. This book was released on 2004-03-25 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Derivative Spectroscopy

Derivative Spectroscopy

Author: Joseph Dubrovkin

Publisher: Cambridge Scholars Publishing

Published: 2020-12-23

Total Pages: 450

ISBN-13: 1527564134

DOWNLOAD EBOOK

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.


Book Synopsis Derivative Spectroscopy by : Joseph Dubrovkin

Download or read book Derivative Spectroscopy written by Joseph Dubrovkin and published by Cambridge Scholars Publishing. This book was released on 2020-12-23 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Data Compression in Spectroscopy

Data Compression in Spectroscopy

Author: Joseph Dubrovkin

Publisher: Cambridge Scholars Publishing

Published: 2022

Total Pages: 372

ISBN-13: 1527586219

DOWNLOAD EBOOK

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.


Book Synopsis Data Compression in Spectroscopy by : Joseph Dubrovkin

Download or read book Data Compression in Spectroscopy written by Joseph Dubrovkin and published by Cambridge Scholars Publishing. This book was released on 2022 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Chemometrics-based Spectroscopy for Pharmaceutical and Biomedical Analysis

Chemometrics-based Spectroscopy for Pharmaceutical and Biomedical Analysis

Author: Hoang Vu Dang

Publisher: Frontiers Media SA

Published: 2019-04-17

Total Pages: 177

ISBN-13: 2889458458

DOWNLOAD EBOOK

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.


Book Synopsis Chemometrics-based Spectroscopy for Pharmaceutical and Biomedical Analysis by : Hoang Vu Dang

Download or read book Chemometrics-based Spectroscopy for Pharmaceutical and Biomedical Analysis written by Hoang Vu Dang and published by Frontiers Media SA. This book was released on 2019-04-17 with total page 177 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.