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The subject is focused on methods of advanced analytical chemistry, which are able to recognize small differences in chemical composition, differences in structure and thus can identify counterfeits of pharmaceuticals, cosmetics, foodstuffs, etc. In addition to well-known separation methods with mass detection that allow detailed chemical analysis of trace impurities, emphasis will be placed on special experimental techniques that allow to specify the origin of compounds in the samples or to distinguish different ways of their preparation. These are analytical methods that are both able to specify the chiral composition of samples and determine the degree of chiral purity, or methods that are capable of studying weak inter-molecular interactions, thereby providing information on the various manufacturing processes, especially for solid samples. Examples of these special techniques are spectroscopy of vibrational circular dichroism, Raman optical activity, electronic circular dichroism, imaging methods, terahertz and far infrared spectroscopy, and last but not least, various chiral and multidimensional separations. Part of the course will be experimental practical exercises in special laboratories.
Last update: Setnička Vladimír (16.09.2018)
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Students will be acquainted with special methods of advanced analytical chemistry with a focus on forensic applications, where, besides detailed analysis of molecular composition, the subject of study will also be the interaction between molecules and molecular systems, including the manifestations of optical activity. Students will acquire knowledge about the theoretical background of spectroscopic and separation methods, available instrumentation, measurement methodology and data evaluation in counterfeit detection. Enantiomeric purity analysis, absolute configuration, molecular conformation, adulterant presence, sample aging monitoring, counterfeit production / preparation, etc. will also be demonstrated. Students also participate in practical demonstrations of measurements in special laboratories. Last update: Setnička Vladimír (16.09.2018)
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Exam Last update: Záruba Kamil (15.09.2018)
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A: S.L. Dexheimer, Ed. Terahertz Spectroscopy, CRC Press, Boca Raton, 2008.
A: M.C. McMaster, LC/MS, John Wiley and Sons, Hoboken, 2005.
A: N. Berova, K. Nakanishi, P. L. Polavarapu and R. W. Woody, eds., Comprehensive Chiroptical Spectroscopy: Applications in Stereochemical Analysis of Synthetic Compounds, Natural Products, and Biomolecules, John Wiley & Sons Inc., Hoboken, New Jersey, 2012.
A: M. Urbanová, P. Maloň, Circular Dichroism Spectroscopy v Analytical Methods in Supramolecular Chemistry (Schalley C. A., Ed.), Wiley VCH: Weinheim, Germany, Second Edition, 2012, str. 337-369.ISBN: 978-3-527-32982-3.
A: V. Setnička, M. Urbanová, Spektroskopie cirkulárního dichroismu v Moderní přístupy k farmaceutické analýze (Dohnal J., Jampílek J., Král V., Řezáčová A., Eds.), Farmaceutická fakulta Veterinární a farmaceutické univerzity Brno: Brno, 2010, kapitola 4.6. Last update: Setnička Vladimír (12.10.2018)
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Lectures of various specialists and practical demonstrations of measurements in special laboratories. Last update: Záruba Kamil (15.09.2018)
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1) Definitions of counterfeit and imitation, legislation. Possibilities of chemical investigation of counterfeits.
2) Basic analytical methods for counterfeiting detection.
3) Separation methods and their use in counterfeit analysis.
4) Specification of liquid, gas chromatography and electro-migration methods. Application of preparative chromatography.
5) Elemental analysis, AAS, ICP-MS, ESCA.
6) Methods of molecular spectroscopy, their division, and applications in counterfeit detection.
7) Vibrational spectroscopy methods, the study of weak interactions by vibrational spectroscopy.
8) Terahertz spectroscopy. Study of polymorphism and crystallinity.
9) Chiroptic spectroscopy, VCD, ROA, ECD.
10) Mass spectrometry and its use in counterfeit analysis.
11) Portable instruments of chemical analysis and their practical use.
12) Methods of chemical data evaluation, sophisticated databases utilization.
13) Practical Examples I.
14) Practical examples II. Last update: Záruba Kamil (15.09.2018)
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Molecular Spectroscopy
Separation methods
Recommended: Special Spectroscopic Techniques Last update: Záruba Kamil (15.09.2018)
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