Problem-Oriented Analytical Chemistry Driven by Chemometrics covers challenges that are relevant to many fields using analytical techniques, including food quality and safety, environmental studies, product authentication, and petrochemistry using an analytical data science approach. The book's novel approach starts from case studies, allowing analytical chemists to understand how seemingly impenetrable chemometrics techniques can be applied to solve problems. It is written primarily to assist graduate and postdoc analytical chemists and early researchers, but has applicability to industry, too.
Many analytical chemists dealing with complex, real-world problems face significant difficulties extracting information from their data. In many cases, solutions are available in the chemometrics arena but relevant books are usually too technical and do not always focus on the 'general perspective' needed by the analyst when facing those complex tools.
1. A multivariate approach to Analytical Chemistry
Part I. OPTIMIZATION, ACQUISITION AND PROCESSING OF ANALYTICS
2. Analytical signals and instruments
3. Simultaneous multi-optimisation of operational variables
4. Multi-objective and multi-response optimisation
5. Pre-processing of analytical signals and reduction of analytical data
6. Fusion of analytical signals and/or data
Part II. QUALITATIVE AND QUANTITATIVE CHARACTERIZATION OF ANALYTICAL INSTRUMENTS AND MATERIAL SYSTEMS
7. Analytical similarity analysis
8. Analytical qualification of materials
9. Analytical quantification of analytes and materials
10. Selection of influential variables
11. Validation of multivariate analytical methods
12. Resolving component mixtures
13. Standardization and multivariate model transfer
Part III. CHEMOMETRIC SUPPORT FOR SPECIAL ANALYTICAL MATTERS
14. N-way signals processing
15. Image analysis (or Analytical imaging)
16. Microfluidic-based analytical devices (μFADs)
17. Analytical platforms based on mass spectrometry (MS) and ion mobility spectrometry (IMS)
18. Analytical platforms based on coupling unidimensional chromatography and mass spectrometry (MS) and ion mobility spectrometry (IMS)
19. Analytical platforms based on nuclear magnetic resonance (NMR)
20. Analytical platforms based on comprehensive two-dimensional chromatography
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