Chemometric analysis of enantioselective Raman spectroscopy data enables enantiomeric ratio determination

Abstract

Enantioselective Raman spectroscopy data are evaluated using PLSR to yield the enantiomeric ratio of chiral solutions.

Recent advances in nano-photonic techniques for pharmaceutical drug monitoring with emphasis on Raman spectroscopy

“…The sample is illuminated with linearly polarized laser light, and a half-wave retarder in the detection arm of the setup enables the investigation of the optical activity of the sample. As a result, enantiomers can be distinguished and enantiomeric fractions can be determined [119]. EsR is thus promising, e.g.…”

“…for the on-line monitoring of synthesis processes of chiral drugs [120]. The approach was recently advanced with an automatized polarization-resolved Raman setup and coupled with chemometric analysis [119,121] which enabled enantiomeric differentiation of butan-2-ol [120,121]. Also, the enantiomeric fractions of the chiral molecule (5,6)-diphenyl-morpholin-2-one could be determined [119].…”

“…The implementation of these techniques in drug sensing is still very limited. EsR is just emerging, the nearest to real drug application was the reported proof-ofprinciple study with a morpholinone derivative [119].…”