MATLAB for Chemometricians

Dr. Federico Marini is currently associate professor of Chemometrics at Sapienza University of Rome. In 2006, he was awarded the Young Researcher Prize from the Italian Chemical Society and in 2012 he won the Chemometrics and Intelligent Laboratory Systems Award. His research activity focuses on chemometrics, ranging from the application of existing methods to real world problems to the design and development of novel algorithms. He is author of more than 150 papers in international journals and book chapters, and recently he edited and coauthored the book Chemometrics in Food Chemistry (Elsevier). He is member of the Editorial boards of several journals, and he serves as Associate Editor for Chemometrics in Wiley's Encyclopedia of Analytical Chemistry. He is the past-coordinator of the Chemometric group of the Italian Chemical Society and a member of the Chemometric study group of EUCheMS. Dr. Alessandra Biancolillo attained her M.Sc. Degree in Analytical Chemistry from the University of Rome La Sapienza, and in 2016 she obtained her PhD Degree in Spectroscopy and Chemometrics from the University of Copenhagen. Since then, she has been a post-doctoral researcher at the University of Rome La Sapienza, a research associate at the Catholic University of the Sacred Heart School of Medicine (Rome, Italy), and an ingenieurs de recherche (Post-doc Researcher) at the IRSTEA institute in Montpellier. Currently, she is researcher at the University of L'Aquila, Italy. Dr. Jose Manuel Amigo obtained his PhD (Cum Laude) in Chemistry from the Autonomous University of Barcelona, Spain. Since 2007 he has been employed at the Department of Food Science of the University of Copenhagen, Denmark, as an associate professor. During 2017 he was a guest professor of the Federal University of Pernambuco, Brazil. Current research interests include hyperspectral and digital image analysis, food sciences, environmental modelling, curve resolution, and teaching chemometrics. He has authored more than 160 publications (115+ peer-reviewed papers, books, book chapters, proceedings, etc.) and given more than 60 conferences and courses at international meetings. Jose has supervised or is currently supervising several Masters, post-docs, and PhD students, and he is an editorial board member of four scientific journals (including Chemometrics and Intelligent Laboratory Systems and Analytica Chimica Acta). He received the "2014 Chemometrics and Intelligent Laboratory Systems Award" for his achievements in the field of Chemometrics.

Section I Basics 1. Introduction to the Matlab environment and data types 2. Simple algebraic operations 3. Basic Matrix Algebra 4. Univariate data analysis and first plotting commands

Section II Multivariate analysis 5. From univariate to multivariate linear regression: starting working extensively with matrices 6. Introduction to Experimental Design: Generating factorial designs and 3D plotting 7. PCA and Exploratory analysis: Building model structures and a basic graphical user interface 8. Bilinear calibration (PCR and PLS): More on the algorithmic side 9. Classification: Building decision rules and advanced 2D and 3D plotting

Section III Advanced material 10. Multivariate curve resolution: Introducing the ALS algorithm and simple constraints 11. Multi-way modelling: How to deal with multi-way arrays and how to process them 12. Signal processing: Derivatives, noise reduction, alignment 13. Image analysis: what you see and what you can get from it