CHEMOMETRIC INTERPRETATION OF
SPECTROSCOPIC DATA FOR CHIRAL
PROBING: A REVIEW.
EDE BODOKI*, BOGDAN CEZAR IACOB, IOANA TIUCA, RADU
OPREAN
“Iuliu Haţieganu” University of Medicine and Pharmacy, Faculty of
Pharmacy, 13, Emil Isac St., 400023, Cluj-Napoca, Romania
*corresponding author: bodokie@umfcluj.ro
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Abstract:

The assessment of enantiomeric purity based on chiral separation is usually considered a costly and tedious process, which often limits the choice of certain analysts, laboratories and even of regulatory agencies involved in the handling, use and quality control of such optically active compounds. The use of such compounds and the need of knowing their precise enantiomeric composition is an ever-growing issue mainly in the pharmaceutical area, urging the development of cost effective alternative tools for faster and simpler ways for assessing enantiomeric excess. Spectroscopy seems to be the much waited alternative, where chirooptical methods (i.e. optical rotatory dispersion and circular dichroism) are able of rapid enantiodiscrimination without the need of separation, but these methods have a relatively low sensitivity and a corresponding low tolerance against impurities, especially chiral ones. However, with the aid of chiral auxiliaries, non-chirooptical molecular spectroscopy combined with multivariate data-analysis allows the assessment of the qualitative nature of the chiral molecular recognition, as well as it enables a cost-effective, high-throughput and sensitive quantitative determination of chiral purity. In the present paper a review of the existing methods dealing with the chemometric interpretation of non-chiral spectroscopic data in chiral probing is intended.

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