Introducing an Experimental Design Approach for Efficient Optimization of Chiral Derivatization Conditions for d- and l-Glyceric Acids

Abstract

A sensitive analytical method was developed for individual analyses of D-and L-glyceric acids by chiral derivatization liquid chromatography-tandem mass spectrometry. To elucidate rapid and efficient optimization for derivatization we newly introduced a concept of design of experiments (DOE). The optimization of major 5 factors in the derivatization could be predicted with only 28 measurements. By applying DOE to optimization, the yields of desired derivatives increased five-fold against before optimization.

Chemometrics and Related Fields in Python

“…Python library for DoE of pyDOE2 126 is able to be installed via pip. This technique has been applied to optimization of reaction conditions for derivatization, 127 preparation of plasmonic substances for surface-enhanced infrared absorption (SEIRA) spectroscopy, 128 data processing for LC-MS metabolomics, 129 etc.…”

Separation Technique of Enantiomers

“…9 Takayama et al introduced a new concept of experimental design to elucidate efficient optimization for chiral derivatization, and separated DL-glyceric acids using LC/MS/ MS with chiral derivatization. 10 They achieved the separation of enantiomers using a conventional reversed phase column.…”