Estimating chromatographic enantioselectivity (α) from gradient enantioselective chromatography data.
Calculation of chromatographic enantioselectivity (α) is critically important in enantioselective chromatographic method development studies. The fact that α can only be calculated from isocratic elution conditions, whereas gradient elution conditions are predominantly used in method development screening, presents some problems for the use of α as a scoring indicator for automated, intelligent enantioselective chromatography method development systems. In this study, an empirical algorithm was developed to estimate α at isocratic conditions based upon information collected from a gradient elution. The algorithm was validated for SFC applications and has been shown to accurately predict enantioselectivity for a wide variety of racemic test analytes eluted on different chiral column and mobile phase conditions.
Gong
Xiaoyi
X
Separation and Purification Center of Excellence, Merck & Co., Inc., Rahway, New Jersey, USA. Xiaoyi_Gong@Merck.Com
Craven
Tim
T
Schafer
Wes
W
Pirzada
Zainab
Z
Biba
Mirlinda
M
Welch
Christopher J
CJ
D000465:Algorithms; D002482:Cellulose / Q000031:analogs & derivatives*; D002623:Chemistry Techniques, Analytical / Q000379:methods; D002853:Chromatography, Liquid / Q000379:methods; D025924:Chromatography, Supercritical Fluid / Q000379:methods; D054852:Small Molecule Libraries / Q000737:chemistry; D013237:Stereoisomerism
D054852:Small Molecule Libraries; D002482:Cellulose