Learning objectives
Students will be able to develop and optimize the most proper analytical method, evaluating its quality parameters.
Prerequisites
Knowledge of basic principles of general and organic chemistry, spectrophotometric and chromatographic methods
Course unit content
The course will provide student with knowledge of theoretical principles and applications of chemometric data elaboration, sample treatment and mass spectrometric methods
Full programme
- Chemometry
Definition of population and sample. Population parameters and their estimators. Normal distribution. Standardized normal distribution. Hypothesis testing. Student's distribution. Student's test: comparison of two means.Comparison of two variances. Normality tests. Outliers (Dixon's test, Grubb's test). Analysis of variance. Multivariate statistical analysis: principal component analysis, linear discriminant analysis.
- Quantitative analysis
Linear regression. Residual analysis. Analysis of variance.Methods of quantitative analysis: external standard, internal standard, standard addition.
- Trueness
Systematic errors. Matrix effect. Certified reference materials.
-Sample preparation
Liquid extraction. Solid phase micro extraction (SPME). Solid phase extraction (SPE).
- Derivatisation
Sample derivatisation. GC derivatisation. HPLC derivatisation.
- Gas chromatography-mass spectrometry
Electron impect and chemical ionization sources. Quadrupole analyzer. Mass spectrometry spectrum. Full scan. Selected ion monitoring. Qualitative and quantitative mass spectrometric analysis. Isotopic dilution.
- HPLC-MS
Electrospray ionization. tandem mass spectrometry. Triple quadrupole. Ionic trap. Product Ion Scan. Precursor Ion Scan. Neutral Loss Scan. Multiple Reaction Monitoring (MRM).
Bibliography
- J.N. Miller, J.C. Miller “Statistics and chemometrics for analytical chemistry” Pearson Prentice Hall
- D.L. Massart et al. “Handbook of chemometrics and qualimetrics” Part A Elsevier
- L. Soliani “Statistica applicate alla ricerca biologica e ambientale” UniNova
- S.R. Chrouch, F.J. Holler “Applications of Microsoft Excel in analytical chemistry” 2 ed Belmont C.A. Brooks/Cole
- D.A. Skoog, D.M. West, F.J. Holler, S.R. Crouch “Fondamenti di chimica analitica” Terza edizione EdiSES
- D.G. Watson “Analisi farmaceutica” EDRA
- P.Cabras, C.I.G. Tuberoso “Analisi dei prodotti alimentari” Piccin
- J. Pawliszyn “Comprehensive sampling and sample preparation” Elsevier (Volumi 2 and 4)
Teaching methods
Frontal lessons and laboratory work with Excel
Assessment methods and criteria
Oral examination.
Written exercices on chemometric
Other information
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2030 agenda goals for sustainable development
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