Chemometrics in Electroanalysis

This monograph covers the most relevant applications of chemometrics in electrochemistry with special emphasis on electroanalytical chemistry. It reviews the use of chemometric methods for exploratory data analysis, experimental design and optimization, calibration, model identification, and experts systems. The book also provides a brief introduction to the fundamentals of the main chemometric methods and offers examples of data treatment for calibration and model identification. Due to the comprehensive coverage, this book offers an invaluable resource for graduate and postgraduate students, as well as for researchers in academic and industrial laboratories working in the area of electroanalysis and electrochemical sensors.

Auteur
Miquel Esteban is Professor, Cristina Ariño and José Manuel Díaz-Cruz are Associated Professors at the Department of Chemical Engineering and Analytical Chemistry in the University of Barcelona.

Contenu

1. Introduction
2. Main characteristics and types of electrochemical data
3. Exploratory data analysis
   3.1. Univariate and multivariate data analysis
   3.2. Data preprocessing
   3.3. Principal component analysis(PCA)
4. Experimatal design and optimization
5. Calibration
   5.1. Classical calibration methods, CLS, ILS
   5.2 Calibartion based on principal components: principal component regression (PCR) and partial leasts squares (PLS)
   5.3. Non-linear methods. Artificial neural networks (ANN)
6. Model identification
   6.1. Classical (hard) modelling
   6.2. Multivariate curve resolution by alternating leasts squares (MCR-ALS)
7. Expert systems in electroanalysis.