Standard Article

Chemometric Approach to Chiral Recognition Using Molecular Spectroscopy

Chemometrics

  1. Sayo O. Fakayode1,
  2. Kenneth W. Busch2,
  3. Marianna A. Busch2

Published Online: 15 DEC 2009

DOI: 10.1002/9780470027318.a9082

Encyclopedia of Analytical Chemistry

Encyclopedia of Analytical Chemistry

How to Cite

Fakayode, S. O., Busch, K. W. and Busch, M. A. 2009. Chemometric Approach to Chiral Recognition Using Molecular Spectroscopy. Encyclopedia of Analytical Chemistry. .

Author Information

  1. 1

    Winston-Salem State University, Chemistry Department, Winston-Salem, NC, USA

  2. 2

    Baylor University, Department of Chemistry and Biochemistry, Waco, TX, USA

Publication History

  1. Published Online: 15 DEC 2009

Abstract

Discrimination of enantiomers by means of a chiral auxiliary can be combined with ordinary molecular spectroscopy and regression modeling to provide a rapid spectroscopic method for the determination of enantiomeric composition of unknown samples. This technique is known as chiral analysis by regression modeling of spectral data (CARMSD). This article describes the basic principles of regression modeling and how regression modeling can be used with ordinary spectroscopic data to produce robust regression models that can predict the enantiomeric composition of unknown samples solely on the basis of their spectral signatures. A major advantage of CARMSD is that prior separation of the enantiomers is not a requirement.