Theoretical electronic circular dichroism investigations of chiral amino acids and development of separation and identification methods independent of standards

Abstract Through an appropriate computational protocol and environmental simulation, a satisfactory fit was observed for the theoretical electronic circular dichroism (ECD) spectra of 19 chiral amino acids (AAs), which correspondeds to the forms of the AAs in aqueous solution. Methods for enantioseparation of these chiral AAs by capillary electrophoresis (CE) and high-performance liquid chromatography (HPLC) were developed. Combining ECD with chromatographic separation methods, enantiomers were identified and quantified independent of a single enantiomer standard.