Students will be able to understand:

How to make a qualified choice of suitable sample preparation strategy (i.e. extraction and clean-up technique) for determination of target analytes.

Utilization of separation techniques (gas/liquid chromatography) coupled with mass spectrometric detection for analysis of complex mixtures of natural compounds.

Basic characteristics of various ionization techniques and mass analyzers and their use for identification and quantification of analytes.

Application of non-target screening (metabolomic fingerprinting / profiling) followed by statistical processing of experimental data.

R: Otles S. (ed.): Handbook of Food Analysis Instruments. CRC Press, Boca Raton, USA, 2009, e-zdroj VŠCHT, ISBN 9781420045666.

R: W.M.A. Niessen: Current Practice of Gas Chromatography-Mass Spectrometry. Marcel Dekker, Inc., USA, 2001, ISBN 9780824704735.

R: W.M.A. Niessen: Liquid Chromatography-Mass Spectrometry. CRC Press, Boca Raton, USA, 2006, ISBN 978-0-8247-4082-5.

R: Watson J. T., Sparkman O. D.: Introduction to Mass Spectrometry. Wiley, Chichester, Velká Británie, 2007, ISBN 978-0-470-51634-8.

Techniques overview:

http://www.chem-ilp.net/labTechniques/LabTechniques.htm

http://www.chem.arizona.edu/massspec/

http://www.ionsource.com/tutorial/spectut/spec1.htm

http://www.chemguide.co.uk/analysis/masspecmenu.html

Compounds databases, mass spectra:

http://webbook.nist.gov/chemistry/

http://www.chemspider.com/

http://www.massbank.jp/

http://metlin.scripps.edu/

Within the extent of the syllabus.

1. Introduction to the issue, classification of biologically active substances

2. General characteristics of the analytical procedure, performance characteristics and validation, basic steps in the analysis of biologically active substances of both natural and anthropogenic origin

3. Basic and advanced extraction techniques with a focus on their use in practice (case studies)

4. Gas chromatography (theory, injection techniques, classification of capillary columns, influence of various parameters on the separation process)

5. Gas chromatography (optimization of separation, two-dimensional GC, conventional detectors)

6. Liquid chromatography (theory, selection of chromatographic system)

7. Liquid chromatography (columns and classification of stationary phases, conventional detectors, optimization and influence of various parameters on the separation process)

8. Mass spectrometry (introduction and characterization of application potential, ionization techniques)

9. Mass spectrometry (mass analyzers, ion mobility, detection)

10. Quantification procedures and techniques, confirmation, matrix effects in GC and LC and possibilities of their reduction and compensation

11. Basic approaches in the analysis of biologically active substances (essential oils, vitamins, glycosides)

12. Basic approaches in the analysis of biologically active substances (biogenic amines, alkaloids, mycotoxins, environmental contaminants)

13. Non-target analysis (metabolomic fingerprinting and profiling, case studies)

14. Presentation of individual students works, discussion

Analytical chemistry

To obtain the credit it is necessary to prepare a short presentation describing a case study in the field of analysis of biologically active substances. Assigned credit is a prerequisite for passing the exam, which consists of a written part.