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Chemometrics : data treatment and applications /

"Chemometrics: Data Treatment and Applications demonstrates 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, the book is meant for the industrial chemist, acade...

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Bibliographic Details
Corporate Author: ScienceDirect (Online service)
Other Authors: Narciso Fernandes, Fabiano Andre (Editor), Rodrigues, Sueli (Editor), Alves Filho, Elenilson Godoy (Editor)
Format: eBook
Language:English
Published: Amsterdam, Netherlands; London, United Kingdom; Cambridge, MA : Elsevier, 2024.
Subjects:
Chemometrics.
Chimiométrie.
Electronic books.
Online Access:Connect to the full text of this electronic book
Table of Contents:
  • Fundamentals. Introduction. Abstract
  • Chapter Outline
  • Introduction
  • Chemometrics
  • Book outline
  • Relevant topics in the interpretation of chemometric data. Chapter Outline
  • Initial data inspection and processing
  • Descriptive statistics and hypothesis tests
  • Data transformation
  • Data preprocessing
  • Correlation and covariance
  • Principal component analysis
  • Hierarchical cluster analysis
  • Applications of principal component analysis and hierarchical cluster analysis
  • References
  • Experimental design for chemometrics: best practices. Abstract
  • Chapter Outline
  • Introduction
  • Experimental planning
  • Experimental design
  • Types of experimental designs
  • Interpretation
  • Concluding remarks
  • References
  • Hyperspectral imaging combined with chemometrics. Abstract
  • Chapter Outline
  • Introduction
  • Principles
  • Features
  • Concluding remarks
  • Glossary
  • Useful links and resources
  • Tools for hyperspectral imaging analysis
  • Tools for image analysis
  • References
  • Chemical analysis approaches. Hyperspectral imaging applications. Abstract
  • Chapter Outline
  • Introduction
  • Spectral imaging : an overview
  • Agricultural and food applications
  • Low-cost spectral platforms for the food industry
  • Low-cost point-scanning hyperspectral imaging
  • Hyperspectral camera configuration : snapshot mode
  • Concluding remarks
  • References
  • Near infrared (NIR) and fourier transform infrared (FTIR) spectroscopy combined with chemometrics for agrifood products analysis. Abstract
  • Chapter Outline
  • Introduction
  • Vibrational spectroscopy techniques
  • Chemometric analysis
  • Spectroscopy techniques application in agrifood products
  • Concluding remarks
  • References
  • NMR combined with chemometrics. Abstract
  • Chapter Outline
  • Abbreviations
  • Introduction
  • Methodology of chemometric analysis of NMR spectroscopic data
  • Data preprocessing of nuclear magnetic resonance data
  • Applications in food products
  • Applications in pharmaceuticals
  • Metabolic profiles
  • Concluding remarks and future perspectives
  • References
  • Olfactometry combined with chemometrics. Abstract
  • Chapter Outline
  • Introduction
  • Instrumental analysis
  • Chemometrics
  • Applications
  • Concluding remarks and future perspectives
  • References
  • Raman spectroscopy combined with chemometrics. Abstract
  • Chapter Outline
  • Introduction
  • Experimentation
  • Data pretreatment
  • Chemometric application
  • Concluding remarks
  • References
  • Sensors and chemometrics. Abstract
  • Chapter Outline
  • Chemometrics theory
  • Statistics fundamentals
  • Comparison of experimental data
  • Design of experiments
  • Principal component analysis
  • Chemometrics applications in sensor technology
  • Gas sensors
  • Sensor array
  • Challenges
  • Concluding remarks
  • References
  • Applications. Food adulteration. Abstract
  • Chapter Outline
  • Introduction
  • Food adulteration and fraud
  • Instrumental analysis and data analytics
  • Analytical and instrumental approaches
  • Foods and food adulteration
  • Technical challenges and opportunities
  • Concluding remarks
  • References
  • Forensics. Abstract
  • Chapter Outline
  • Introduction
  • Forensic physical sciences
  • Forensic chemical analysis
  • Forensic biological analysis
  • Concluding remarks
  • References
  • Chemical tools and chemometrics to uncover geographical indication. Abstract
  • Chapter Outline
  • Introduction
  • Analytical instruments used to collect chemical data for subsequent chemometric analysis
  • Chemometric techniques used in geographical indication research
  • Concluding remarks
  • References
  • Heavy metals. Abstract
  • Chapter Outline
  • Introduction
  • Indicators and bioindicators for monitoring heavy metals
  • Optical techniques for monitoring heavy metals
  • Biosensors
  • Application
  • Concluding remarks
  • References
  • Metabolite identification. Abstract
  • Chapter Outline
  • Introduction
  • Experimental
  • Results and discussion
  • Concluding remarks
  • References
  • Chemometrics on pharmaceuticals. Abstract
  • Chapter Outline
  • Introduction
  • Quantitative analysis of active pharmaceutical ingredients and formulated products
  • Chemometrics into quality by design framework
  • Adulterations and counterfeits
  • Concluding remarks
  • References
  • Water pollution and contaminants. Abstract
  • Chapter Outline
  • Introduction
  • Types of contaminants
  • Chemometrics protocols
  • Applications
  • Concluding remarks
  • References
  • Clinical diagnostics coupled to chemometrics. Abstract
  • Chapter Outline
  • Introduction
  • Biofluid samples
  • Tissue samples
  • Chemometrics
  • Biomarkers
  • Perspectives and concluding remarks
  • Acknowledgments
  • References
  • Principal component analysis, a more intuitive viewpoint. Abstract
  • Chapter Outline
  • Introduction
  • Principal component analysis
  • Concluding remarks
  • Index.