Monitoring of enantiomeric excess by means of Raman optical activity

Author: Mgr. Jana Hrudíková
Supervisor: Prof. RNDr. Vladimír Baumruk, DrSc.
Type: Bachelor

Abstract: Monitoring of enantiomeric excess represents an analytical application which is in particular interesting for pharmaceutical industry. Measurements were performed on a unique ROA instrument which has been built at the Institute of Physics of the Charles University. ROA and Raman spectra were measured for a set of samples of trans-pinane, each having different enantiomeric purity. Factor analysis has been used for the first time to analyze the data from this type of measurement. Factor analysis is a statistical method which reduces experimental data sets without loss of informational content. We have obtained a linear correlation between spectral data and enantiomeric excess which can be used for determination of enantiomeric excess for unknown samples. In addition, factor analysis enables to restore the measured spectra with suppressed noise and artifacts.

Keywords: None