Progress In Chemometrics Research

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Progress in Chemometrics Research

Author : Alexey L. Pomerantsev
Publisher : Nova Publishers
ISBN 13 : 9781594542572
Total Pages : 342 pages
Book Rating : 4.5/5 (425 download)

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Book Synopsis Progress in Chemometrics Research by : Alexey L. Pomerantsev

Download or read book Progress in Chemometrics Research written by Alexey L. Pomerantsev and published by Nova Publishers. This book was released on 2005 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics is the chemical discipline that uses mathematical, statistical and other methods employing formal logic: to design or select optimal measurement procedures and experiments, and -- to provide maximum relevant chemical information by analysing chemical data. Being conceived as a branch of analytical chemistry, chemometrics now is a general approach. It extracts relevant information out of measured data, regardless of their origin: chemical, physical, biological, etc. Chemometrics has been applied in different areas, and most successfully in multivariate calibration, pattern recognition, classification and discriminant analysis, multivariate modelling, and monitoring of processes. The main chemometric principle is a concept of hidden data structures that can be found using methods of multivariate data analysis. These are the well-known statistic tools such as partial least squares (PLS), soft independent modelling of class analogy (SIMCA), principal-component regression (PCR), wavelet analysis, and many others. Current activities of chemometricians fall into two main categories: (1) development of new methods for manipulating multivariate data and (2) new applications of the known chemometric techniques in different areas such as environment control, food industry, agriculture, medicine, and engineering.

Chemometrics

Author : Fabiano André Narciso Fernandes
Publisher : Elsevier
ISBN 13 : 0443215030
Total Pages : 565 pages
Book Rating : 4.4/5 (432 download)

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Book Synopsis Chemometrics by : Fabiano André Narciso Fernandes

Download or read book Chemometrics written by Fabiano André Narciso Fernandes and published by Elsevier. This book was released on 2024-06-28 with total page 565 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics: Data Treatment and Applications demonstrates the best practices for treating real-world analytical instrument data and how to apply chemometrics to this data. Rather than focusing on the mathematical theory involved in chemometrics, this book is meant for the industrial chemist, and academics and advanced students that want to use chemometrics in practice. Case studies on several applications are presented. Unlike existing literature, this book focuses on best practices, practical realities, and challenges when treating data, rather than on the mathematical theory. It also provides basic information on chemometrics, several chapters on how to treat, and the best practices used to treat, data from different analytical instruments, as well as case studies and uses of chemometrics in different fields. The book is written primarily for analytic chemists as practitioners in analytical laboratories and other industries. It will also be useful to academics and graduate, masters and postdoc students chiefly working in analytical chemistry who want to improve the practical aspects of their research activities. Presents topical and important chapters for the most-used analytical instruments Focuses on practical issues in the implementation of chemometrics Examines advances in the application of chemometrics in several fields Includes frank perspectives on what works well for the data of a certain analytical instrument given the multiple choices of mathematical models and protocols that can be applied Covered protocols are heavily illustrated with case studies showing their potential use and the advances in chemometrics

Advances in Chemical Analysis Procedures (Part II)

Author : Marcello Locatelli
Publisher : MDPI
ISBN 13 : 3039367862
Total Pages : 224 pages
Book Rating : 4.0/5 (393 download)

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Book Synopsis Advances in Chemical Analysis Procedures (Part II) by : Marcello Locatelli

Download or read book Advances in Chemical Analysis Procedures (Part II) written by Marcello Locatelli and published by MDPI. This book was released on 2021-01-20 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the field of Analytical Chemistry and, in particular, whenever a quali-quantitative analysis is required, until a few years ago, reference was made exclusively to instrumental methods (more or less hyphenated) which, once validated, were able to provide the answers to the questions present, even if only in a limited way to analytical targets. Nowadays, the landscape has become considerably complicated (natural adulterants, assessment of geographical origin, sophistication, need for non-destructive analysis, search for often unknown compounds), and new procedures for processing data have greatly increased the potential of analyses that are conducted (even routinely) in the laboratory. In this scenario, chemometrics is master, able to manage and process a huge amount of information based both on data relating only to the analytes of interest, but also by applying “general” procedures to process raw untargeted analysis data. It is within this strand of analysis that many of the works reported in this Special Issue fall. In the succession of works in this printed version, the criterion that guided us was to highlight how—starting exclusively from chromatographic techniques (HPLC and GC) with conventional detectors and moving to exclusively spectroscopic techniques (MS, FT-IR and Raman)—it is possible arrive at extremely powerful coupled techniques and procedures (HPLC and FT-IR) able to meet research needs. Finally, at the end of the printed volume, there are two reviews that surveying the state of the art regarding the assessment of authenticity through qualitative analyses and the application of chemometrics in the pharmaceutical field in the study of forced drug degradation products. From the succession of works (and, above all, from the various application fields) it can immediately be seen how the application of chemometrics and its procedures to both raw and processed data is a powerful means of obtaining robust, reproducible, and predictive information. In this manner, it is possible to create models able to explain and respond to the original problem in a much more detailed way. , and Honghe through Fourier transform mid infrared (FT-MIR) spectra combined with partial least squares discriminant analysis (PLS-DA), random forest (RF), and hierarchical cluster analysis (HCA) methods. Melucci and collaborators apply chemometric approaches to non-destructive analysis of ATR-FT-IR for the determination of biosilica content. This value was directly evaluated in sediment samples, without any chemical alteration, using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, and the quantification was performed by combining the multivariate standard addition method (MSAM) with the net analyte signal (NAS) procedure to solve the strong matrix effect of sediment samples. Still in the food and food supplements field, Anguebes-Franseschi and collaborators report an article where 10 chemometric models based on Raman spectroscopy were applied to predict the physicochemical properties of honey produced in the state of Campeche, Mexico.

Chemometrics: Advances in Applications and Research

Author : Larry D. Crenshaw
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.8/5 (869 download)

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Book Synopsis Chemometrics: Advances in Applications and Research by : Larry D. Crenshaw

Download or read book Chemometrics: Advances in Applications and Research written by Larry D. Crenshaw and published by . This book was released on 2022-10-10 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics is a discipline of chemistry that finds correlation between specific data using mathematical and statistical methods. During any thorough research, the scientists are handling vast amounts of data related to the samples which are being researched. In this type of research, finding the correlation (similarities or differences) between analyzed samples and data is of great importance. In the first chapter, commonly used chemometrics for spectral modeling transfer is examined. The second chapter provides an analytical tool to detect fraud when olive oil is illegally blended with VOs or a 'legal' blend is falsely labelled with respect to the botanical nature of the oils mixed and/or the percentage of each oil in the declared mixture. H-NMR spectral data of olive and virgin olive oils and their mixtures with the VOs most commonly used to make blends was analysed by pattern recognition techniques to develop multivariate classification and regression models, which were organised in a decision tree to afford a stepwise strategy for the aimed purposes. The next chapter focuses on a metabolomics approach based on H-NMR fingerprinting and multivariate data analysis for virgin olive oil stability assessments. In the fourth chapter, the authors review unsupervised methods using both principal component analysis (PCA) and hierarchical cluster analysis (HCA). Using these methods, they were able to spot the correlation between the samples and underlying data structures without the potential bias of scientists about the previous knowledge of data samples.

Laser-induced Breakdown Spectroscopy (LIBS)

Author : Andrzej W. Miziolek
Publisher :
ISBN 13 : 9780511246692
Total Pages : 640 pages
Book Rating : 4.2/5 (466 download)

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Book Synopsis Laser-induced Breakdown Spectroscopy (LIBS) by : Andrzej W. Miziolek

Download or read book Laser-induced Breakdown Spectroscopy (LIBS) written by Andrzej W. Miziolek and published by . This book was released on 2014-05-14 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the first comprehensive reference explaining the fundamentals of the LIBS phenomenon, its history and its fascinating applications across eighteen chapters written by recognized leaders in the field. This book will be of significant interest to researchers in chemical and materials analysis within academia and industry.

Chemometric Methods in Analytical Spectroscopy Technology

Author : Xiaoli Chu
Publisher : Springer Nature
ISBN 13 : 981191625X
Total Pages : 596 pages
Book Rating : 4.8/5 (119 download)

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Book Synopsis Chemometric Methods in Analytical Spectroscopy Technology by : Xiaoli Chu

Download or read book Chemometric Methods in Analytical Spectroscopy Technology written by Xiaoli Chu and published by Springer Nature. This book was released on 2022-05-23 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses chemometric methods for spectroscopy analysis including NIR, MIR, Raman, NMR, and LIBS, from the perspective of practical applied spectroscopy. It covers all aspects of chemometrics associated with analytical spectroscopy, including representative sample selection algorithm, outlier detection algorithm, model updating and maintenance algorithm and strategy and calibration performance evaluation methods.To provide a systematic and comprehensive overview the latest progress of chemometric methods including recent scientific research and practical applications are presented. In addition the book also highlights the improvement of classical algorithms and the extension of common strategies. It is therefore useful as a reference book for researchers engaged in analytical spectroscopy technology, chemometrics, analytical instruments and other related fields.

Comprehensive Chemometrics

Author : Steven Brown
Publisher : Elsevier
ISBN 13 : 0444641661
Total Pages : 2948 pages
Book Rating : 4.4/5 (446 download)

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Book Synopsis Comprehensive Chemometrics by : Steven Brown

Download or read book Comprehensive Chemometrics written by Steven Brown and published by Elsevier. This book was released on 2020-05-26 with total page 2948 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Chemometrics, Second Edition, Four Volume Set features expanded and updated coverage, along with new content that covers advances in the field since the previous edition published in 2009. Subject of note include updates in the fields of multidimensional and megavariate data analysis, omics data analysis, big chemical and biochemical data analysis, data fusion and sparse methods. The book follows a similar structure to the previous edition, using the same section titles to frame articles. Many chapters from the previous edition are updated, but there are also many new chapters on the latest developments. Presents integrated reviews of each chemical and biological method, examining their merits and limitations through practical examples and extensive visuals Bridges a gap in knowledge, covering developments in the field since the first edition published in 2009 Meticulously organized, with articles split into 4 sections and 12 sub-sections on key topics to allow students, researchers and professionals to find relevant information quickly and easily Written by academics and practitioners from various fields and regions to ensure that the knowledge within is easily understood and applicable to a large audience Presents integrated reviews of each chemical and biological method, examining their merits and limitations through practical examples and extensive visuals Bridges a gap in knowledge, covering developments in the field since the first edition published in 2009 Meticulously organized, with articles split into 4 sections and 12 sub-sections on key topics to allow students, researchers and professionals to find relevant information quickly and easily Written by academics and practitioners from various fields and regions to ensure that the knowledge within is easily understood and applicable to a large audience

Advances in Chemical Analysis Procedures (Part II)

Author : Marcello Locatelli
Publisher :
ISBN 13 : 9783039367870
Total Pages : 224 pages
Book Rating : 4.3/5 (678 download)

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Book Synopsis Advances in Chemical Analysis Procedures (Part II) by : Marcello Locatelli

Download or read book Advances in Chemical Analysis Procedures (Part II) written by Marcello Locatelli and published by . This book was released on 2020 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the field of Analytica ...

Chemometrics in Spectroscopy

Author : Howard Mark
Publisher : Academic Press
ISBN 13 : 0323911706
Total Pages : 1094 pages
Book Rating : 4.3/5 (239 download)

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Book Synopsis Chemometrics in Spectroscopy by : Howard Mark

Download or read book Chemometrics in Spectroscopy written by Howard Mark and published by Academic Press. This book was released on 2021-09-30 with total page 1094 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics in Spectroscopy, Revised Second Edition provides the reader with the methodology crucial to apply chemometrics to real world data. The book allows scientists using spectroscopic instruments to find explanations and solutions to their problems when they are confronted with unexpected and unexplained results. Unlike other books on these topics, it explains the root causes of the phenomena that lead to these results. While books on NIR spectroscopy sometimes cover basic chemometrics, they do not mention many of the advanced topics this book discusses. This revised second edition has been expanded with 50% more content on advances in the field that have occurred in the last 10 years, including calibration transfer, units of measure in spectroscopy, principal components, clinical data reporting, classical least squares, regression models, spectral transfer, and more. Written in the column format of the authors’ online magazine Presents topical and important chapters for those involved in analysis work, both research and routine Focuses on practical issues in the implementation of chemometrics for NIR Spectroscopy Includes a companion website with 350 additional color figures that illustrate CLS concepts

Chemometrics

Author : Matthias Otto
Publisher : John Wiley & Sons
ISBN 13 : 3527843795
Total Pages : 437 pages
Book Rating : 4.5/5 (278 download)

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Book Synopsis Chemometrics by : Matthias Otto

Download or read book Chemometrics written by Matthias Otto and published by John Wiley & Sons. This book was released on 2023-11-28 with total page 437 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics Explore chemometrics from basic statistics to the latest artificial intelligence and neural network developments in this new edition Chemometrics is an area of study combining chemistry and mathematics. It governs the interpretation of data generated by chemical analysis, and its growth as a subfield promises to streamline and revolutionize analytical chemistry. Chemometrics has long been the leading introductory textbook in this subject. Beginning with an introduction to the statistical-mathematical evaluation of chemical measurements, it leads readers through modern chemometric approaches in a pedagogically sound and highly readable style. Now fully updated to reflect the latest research and applications of this exciting discipline, it provides essential tools for a new generation of analytical chemists. Readers of the fourth edition of Chemometrics will also find: New or expanded treatment of subjects such as deep learning, ANNOVA simultaneous component analysis, instrumental data output, and more Detailed discussion of approaches to signal processing, design and optimization of experiments, pattern recognition and classification, and many other areas Balance of theoretical and practical knowledge to enable rapid application of key techniques Chemometrics is ideal for advanced students in chemistry, analytical chemistry, pharmaceutical chemistry, biochemistry, or related subjects, and as a useful reference for practicing researchers and laboratory professionals.

Chemometrics in Chromatography

Author : Łukasz Komsta
Publisher : CRC Press
ISBN 13 : 1498772544
Total Pages : 506 pages
Book Rating : 4.4/5 (987 download)

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Book Synopsis Chemometrics in Chromatography by : Łukasz Komsta

Download or read book Chemometrics in Chromatography written by Łukasz Komsta and published by CRC Press. This book was released on 2018-02-02 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics uses advanced mathematical and statistical algorithms to provide maximum chemical information by analyzing chemical data, and obtain knowledge of chemical systems. Chemometrics significantly extends the possibilities of chromatography and with the technological advances of the personal computer and continuous development of open-source software, many laboratories are interested in incorporating chemometrics into their chromatographic methods. This book is an up-to-date reference that presents the most important information about each area of chemometrics used in chromatography, demonstrating its effective use when applied to a chromatographic separation.

Chemometrics Research Studies Series

Author :
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (31 download)

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Book Synopsis Chemometrics Research Studies Series by :

Download or read book Chemometrics Research Studies Series written by and published by . This book was released on 19?? with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Chemometrics in Analytical Spectroscopy

Author : Mike J Adams
Publisher : Royal Society of Chemistry
ISBN 13 : 1847550487
Total Pages : 236 pages
Book Rating : 4.8/5 (475 download)

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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 Royal Society of Chemistry. This book was released on 2007-10-31 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Current Applications of Chemometrics

Author : Mohammadreza Khanmohammadi
Publisher : Nova Science Publishers
ISBN 13 : 9781634631174
Total Pages : 0 pages
Book Rating : 4.6/5 (311 download)

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Book Synopsis Current Applications of Chemometrics by : Mohammadreza Khanmohammadi

Download or read book Current Applications of Chemometrics written by Mohammadreza Khanmohammadi and published by Nova Science Publishers. This book was released on 2014-12 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Practical Guide To Chemometrics

Author : Paul Gemperline
Publisher : CRC Press
ISBN 13 : 1420018302
Total Pages : 552 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Practical Guide To Chemometrics by : Paul Gemperline

Download or read book Practical Guide To Chemometrics written by Paul Gemperline and published by CRC Press. This book was released on 2006-04-16 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: The limited coverage of data analysis and statistics offered in most undergraduate and graduate analytical chemistry courses is usually focused on practical aspects of univariate methods. Drawing in real-world examples, Practical Guide to Chemometrics, Second Edition offers an accessible introduction to application-oriented multivariate meth

Introduction to Multivariate Statistical Analysis in Chemometrics

Author : Kurt Varmuza
Publisher : CRC Press
ISBN 13 : 1420059491
Total Pages : 328 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Introduction to Multivariate Statistical Analysis in Chemometrics by : Kurt Varmuza

Download or read book Introduction to Multivariate Statistical Analysis in Chemometrics written by Kurt Varmuza and published by CRC Press. This book was released on 2016-04-19 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Chemometrics

Author : Aderval S. Luna
Publisher : Nova Science Publishers
ISBN 13 : 9781536105186
Total Pages : 0 pages
Book Rating : 4.1/5 (51 download)

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Book Synopsis Chemometrics by : Aderval S. Luna

Download or read book Chemometrics written by Aderval S. Luna and published by Nova Science Publishers. This book was released on 2017 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers an accessible introduction to application-oriented multivariate methods of data analysis and procedures that are highly beneficial to solving a variety of problems by using analytical chemistry and statistics. It presents a diverse selection of topics that include experimental designs applied for the optimisation of liquid chromatographic and capillary electrophoresis, variable selection in chemical data, calibration of the first order: data, algorithms, and analytical applications, characterisation of polyphenols from natural products using separation techniques coupled with chemometrics, detection of malignant tumors using FT-IR spectroscopy combined with chemometrics, guidelines in synthesis of new anticancer compounds, direct analysis of solid samples by spectroscopy and chromatographic techniques, application of data fusion in different levels with examples, and analysis of pharmaceutical and food products by various analytical techniques. This book helps thereader embrace the growing role of chemometrics in some of the latest research trends, such as characterisation of polyphenolic compounds in natural, pharmaceutical, and food products in analytical problems, such as classification and quantification using the multivariate calibration of the second order. This book also identifies several areas for future development and applications. The chapters are written by leading experts. Chemometrics: Methods, Applications, and New Research offers a reliable source of useful information in a style that is accessible to all levels of students, professionals, and researchers involved in analysing scientific data.