Spectroscopic determination of enantiomeric purity

Details Spectroscopic determination of enantiomeric purity Spectroscopic determination of enantiomeric purity

2011-03-22

2011-03-22

Chowdhury, Tarifur (Department: 2886)

Optics: measuring and testing

By dispersed light spectroscopy

Utilizing a spectrometer

C250S282000

Reexamination Certificate

active

07911608

ABSTRACT:
A new method and strategy for the quantitative determination of enantiomeric purity that combines polarimetry, spectroscopy, and chemometric modeling. Spectral data is collected after a light beam is passed through a first polarimeter, a sample of a chiral compound, and a second polarimeter oriented at a 45 degree angle relative to the first polarimeter. The spectral data for samples of known enantiomeric composition is subjected to a type of multivariate regression modeling known as partial least squares (“PLS-1”) regression. The PLS-1 regression produces a mathematical model that can be used to predict the enantiomeric composition of a set of samples of unknown enantiomeric purity.

REFERENCES:
patent: 5912740 (1999-06-01), Zare et al.

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