Molecular analytical methods - METABOLOMICA (2013/2014)

Course code
Academic sector
Language of instruction
Teaching is organised as follows:
Activity Credits Period Academic staff Timetable
teoria 3 II semestre Michael Assfalg
laboratorio 1 II semestre Michael Assfalg

Lesson timetable

II semestre
Activity Day Time Type Place Note
teoria Friday 10:30 AM - 1:30 PM lesson Lecture Hall H  

Learning outcomes

Metabolomics is the systematic and holistic study of metabolites present in an organism or a sample. The purpose of the course is to introduce metabolomic analysis. We address the analytical techniques used in the field. We will then present the physical principles that underlie the technique of nuclear magnetic resonance and discuss the methods of multivariate analysis applied to spectroscopic data. The course also aims to provide students with an overview of the applications of metabolomics in different areas.


PROGRAM metabolomics


Introduction. Terminology and definitions. The chemical complexity of the metabolome. Applications and purposes of metabolomics. Metabolomic approaches . The analytical techniques. Chromatography. Mass spectrometry.

NMR spectroscopy. Physical principles. Spin number. Energy levels. Sensitivity. Precession. Angular frequency. Magnetization. Oscillating magnetic field. Rediofrequency pulses. Fourier transform.

Apodization functions. Spectral windows. Chemical shift. Two-dimensional spectroscopy.

Chemical shift: shielding constant, diamagnetic, paramagnetic and local contributions. Electronegativity, mesomeric effects, anisotropic contributions of bonds and aromatic rings. Scalar coupling constant, multiplets. 1D spectrum of alanine from the BMRB database .

Methods of suppression of the signal of solvent. 1D 13C - alanine from the BMRB. Two-dimensional spectroscopy : heterocorrelation , J -resolved, COSY , TOCSY .

Multivariate analysis. Examples of applications in analysis of food juice , oil, beer, tea, others.


Exercises for the interpretation of NMR spectra of organic molecules

Practical notes on the recording of spectra : sample preparation, temperature control , lock , tuning, shimming, calibration pulse, number of scans.

Preparation of samples of food fluids.

Execution of proton spectra.

Analysis and interpretation of the spectra with the aid of spectral databases.

Multivariate analysis of the recorded spectra

Assessment methods and criteria


Teaching aids
Title Format (Language, Size, Publication date)
Articolo_Cromatografia  pdfpdf (it, 275 KB, 31/05/14)
Articolo_GCMS  pdfpdf (it, 729 KB, 31/05/14)
Articolo_LCMS  pdfpdf (it, 139 KB, 31/05/14)
Articolo_NMR  pdfpdf (it, 1619 KB, 31/05/14)
Articolo_Statistica  pdfpdf (it, 2832 KB, 31/05/14)
DomandeTipo1  pdfpdf (it, 37 KB, 31/05/14)
DomandeTipo2  pdfpdf (it, 922 KB, 31/05/14)
Lezione1  pdfpdf (it, 4556 KB, 18/03/14)
Lezione2  pdfpdf (it, 414 KB, 18/03/14)
Lezione3  pdfpdf (it, 204 KB, 21/03/14)
Lezione4  pdfpdf (it, 3406 KB, 27/03/14)
Lezione5  pdfpdf (it, 2087 KB, 11/04/14)
Lezione6  pdfpdf (it, 6335 KB, 30/05/14)
Programma  pdfpdf (it, 26 KB, 21/03/14)