Research Institute for 

Pharmacy & Biochemistry

13 July 2020
Course description

Molecular spectroscopy

The methods of molecular (rotational-vibrational) spectroscopy find expanding applications in the pharmaceutical industry, both in the routine quality control and in the R&D. Their advantages are measurement quickness (in the order of minutes), simple or no preparation of samples and a comparatively low equipment purchase price. When usual measurements are performed, the spectrometer can be run by a person without deep knowledge of the method principles, which allows savings in terms of attendance requirements. However, more complex applications require knowledge of the basic principles, for example, in case when the most optimal experimental arrangement should be selected, spectra of unknown compounds evaluated, or structure determined. Because so-called molecular or functional analysis is concerned, the spectroscopy can provide valuable knowledge of the structural arrangement of the molecule, functional groups and the qualitative and quantitative composition of a mixture, both of solid and liquid samples (including suspensions and emulsions). It is also used for gas or aerosol evaluation.

The course is devoted to the theory and particular applications of infrared (IR) spectroscopy, including mid-infrared (MIR) and near-infrared (NIR) spectroscopy, as well as the rapidly developing method of Terahertz spectroscopy (THz). Also the theory, measurement techniques and applications of Raman spectroscopy are presented in detail, including techniques coupled with microscopy, which are used for mapping and imaging.

For completeness of the course the last module is dedicated to the methods of chiroptical spectroscopy, i.e. methods that allow determining structures and conformation changes of chiral drugs. Electronic circular dichroism (ECD), vibrational circular dichroism (VCD) and Raman optical activity (ROA) are presented in detail. The participants are acquainted with theory required for understanding, experimental equipment arrangement, measurement techniques and applications for pharmaceutically and biologically significant chiral compounds (pharmaceutical precursors, peptides, proteins, carbohydrates and supramolecular self-assemblies).

All these methods are recognized by state authorities as suitable for drug analysis. Their brief description with instructions for equipment calibration and validation is stated in the European Pharmacopoeia (Ph. Eur.) or FDA guidelines. Molecular spectroscopy methods can be qualified as first-choice techniques when quick, reliable and validated drug analysis is needed. Therefore special attention should be paid to understanding and application of these techniques.

The guarantor of the course is Assoc. Prof. Vladimír Setnička who at present primarily deals with chiroptical spectroscopy methods. Other lecturers are Ladislav Tenkl, Ján PásztorKarel Šec and Josef Jampílek.

More details

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Location: Brno

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