Progress In Chemometrics Research
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Progress In Chemometrics Research
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Author : Alexey L. Pomerantsev
language : en
Publisher: Nova Publishers
Release Date : 2005
Progress In Chemometrics Research written by Alexey L. Pomerantsev and has been published by Nova Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with Chemometrics categories.
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.
Chemometric Methods In Analytical Spectroscopy Technology
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Author : Xiaoli Chu
language : en
Publisher: Springer Nature
Release Date : 2022-05-23
Chemometric Methods In Analytical Spectroscopy Technology written by Xiaoli Chu and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-23 with Science categories.
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.
Chemometrics Advances In Applications And Research
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Author : Larry D. Crenshaw
language : en
Publisher:
Release Date : 2022-10-10
Chemometrics Advances In Applications And Research written by Larry D. Crenshaw and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-10-10 with categories.
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.
Chemometrics
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Author : Fabiano André Narciso Fernandes
language : en
Publisher: Elsevier
Release Date : 2024-06-28
Chemometrics written by Fabiano André Narciso Fernandes and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-06-28 with Science categories.
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
Comprehensive Chemometrics
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Author : Steven Brown
language : en
Publisher: Elsevier
Release Date : 2020-05-26
Comprehensive Chemometrics written by Steven Brown and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-05-26 with Science categories.
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
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Author : Marcello Locatelli
language : en
Publisher: MDPI
Release Date : 2021-01-20
Advances In Chemical Analysis Procedures Part Ii written by Marcello Locatelli and has been published by MDPI this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-01-20 with Technology & Engineering categories.
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 In Spectroscopy
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Author : Howard Mark
language : en
Publisher: Academic Press
Release Date : 2021-09-30
Chemometrics In Spectroscopy written by Howard Mark and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-30 with Science categories.
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
Novel Aspects Of Gas Chromatography And Chemometrics
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Author : Serban Moldoveanu
language : en
Publisher: Intechopen
Release Date : 2023-05
Novel Aspects Of Gas Chromatography And Chemometrics written by Serban Moldoveanu and has been published by Intechopen this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-05 with categories.
Novel Aspects of Gas Chromatography and Chemometrics presents selected aspects of gas chromatography and chemometrics in which progress has recently been made. The aim of the book is to present up-to-date information on technologies, methods and applications in this field in a coherent, unified form. The book is addressed to a wide audience of analytical chemists and should be of interest to research chemists working in both industry and academia.
Advances In Bioengineering Research And Application 2012 Edition
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Author :
language : en
Publisher: ScholarlyEditions
Release Date : 2012-12-26
Advances In Bioengineering Research And Application 2012 Edition written by and has been published by ScholarlyEditions this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-26 with Technology & Engineering categories.
Advances in Bioengineering Research and Application / 2012 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Bioengineering. The editors have built Advances in Bioengineering Research and Application / 2012 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Bioengineering in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Advances in Bioengineering Research and Application / 2012 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Introduction To Multivariate Statistical Analysis In Chemometrics
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Author : Kurt Varmuza
language : en
Publisher: CRC Press
Release Date : 2016-04-19
Introduction To Multivariate Statistical Analysis In Chemometrics written by Kurt Varmuza and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-04-19 with Mathematics categories.
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