Advanced Structure Analysis of Pharmaceutical Substances - M402022
Title: Pokročilá strukturní analýza farmaceutických látek
Guaranteed by: Department of Analytical Chemistry (402)
Actual: from 2019
Semester: summer
Points: summer s.:3
E-Credits: summer s.:3
Examination process: summer s.:
Hours per week, examination: summer s.:2/0 Ex [hours/week]
Capacity: unlimited / unknown (unknown)
Min. number of students: unlimited
Language: Czech
Teaching methods: full-time
Level:  
For type:  
Note: course can be enrolled in outside the study plan
enabled for web enrollment
Guarantor: Dolenský Bohumil doc. Ing. Ph.D.
Matějka Pavel prof. Dr. RNDr.
Interchangeability : N402067
Examination dates   Schedule   
Annotation -
Last update: Pátková Vlasta (05.01.2018)
The course is focused on processing and interpretation of structural spectroscopic data including the employment of molecular modeling by structural analysis. Further attention is dedicated to the use of laboratory information systems for structural analysis of pharmaceutical substances.
Aim of the course -
Last update: Pátková Vlasta (05.01.2018)

Students will be able to:

Process analytical data and to interpret results of structure-determination and spectroscopic methods.

Employ basic principles of molecular modeling for structural analysis.

Describe basic possibilities of the use of laboratory information systems for structural analysis of pharmaceutical ingredients.

Literature -
Last update: Pátková Vlasta (05.01.2018)

R:Structure Determination of Organic Compounds - Tables of Spectral Data (3rd Edition), By: Pretsch, E., Bühlmann, P., Affolter, C.; 2000 Springer - Verlag, ISBN: 978-3-540-67815-1, Electronic ISBN: 978-1-60119-351-3

A:Jiří Fišer, Úvod do kvantové chemie, Academia 1983

A:NMR Spectroscopy in Pharmaceutical Analysis, Edited by: Holzgrabe, Ulrike; Wawer, Iwona; Diehl, Bernd; 2008 Elsevier, ISBN: 978-0-444-53173-5, Electronic ISBN: 978-0-0805-5819-6

A:Applications of Vibrational Spectroscopy in Pharmaceutical Research and Development, Editor(s): Don E. Pivonka, John Chalmers, Peter Griffiths, Wiley 2007, ISBN: 978-0-470-87087-7

A:Structure Determination from Powder Diffraction Data (International Union of Crystallography Monographs on Crystallography) By W.I.F. David, K. Shankland, L.B. McCusker, and C. Bärlocher, OUP Oxford; New Ed edition Aug 2006, ISBN: 978-0199205530

A:Crystal Structure Determination, By Massa, Werner, 2nd ed., 2004, Springer, ISBN: 978-3-540-20644-6

A:Quantum Chemistry, Second Edition, Donald A. McQuarrie, 2007 University Science Book ISBN 978-1-891389-50-4

Learning resources -
Last update: Pátková Vlasta (05.01.2018)

Petr Bouř, Základy kvantových výpočtů vlastností molekul, VŠCHT Praha (http://hanicka.uochb.cas.cz/~bour/prednaska/skripta.pdf)

Syllabus -
Last update: Pátková Vlasta (05.01.2018)

1. X-ray diffractometry and microdiffractometry - application in pharmaceutical analysis

2. Advanced methods of diffractogram evaluation

3. Multidimensional NMR spectroscopy in pharmaceutical analysis

4. Quantum chemical calculations of structural parameters

5. Interpretation of vibrational spectra in pharmaceutical applications

6. Quantum chemical calculations and NMR spectroscopy

7. Structural modeling of pharmaceutical low-molecular substances

8. Structural modeling of pharmaceutical high-molecular substances

9. Conformational analysis and molecular dynamics

10.Spectral imaging in pharmaceutical analysis

11.Automation of structural analysis in pharmacy - NMR, MS

12.Automation of structural analysis in pharmacy - optical spectroscopy

13.Laboratory information systems in structural pharmaceutical analysis

14.Laboratory robotics in structural analysis

Registration requirements -
Last update: Pátková Vlasta (05.01.2018)

Advanced spectroscopic methods of drug analysis

Course completion requirements - Czech
Last update: Matějka Pavel prof. Dr. RNDr. (21.02.2018)

Složení zkoušky (písemný test, ústní pohovor)

Teaching methods
Activity Credits Hours
Konzultace s vyučujícími 0,5 14
Účast na přednáškách 1 28
Příprava na přednášky, semináře, laboratoře, exkurzi nebo praxi 0,5 14
Příprava na zkoušku a její absolvování 1 28
3 / 3 84 / 84
Coursework assessment
Form Significance
Regular attendance 10
Examination test 50
Oral examination 40