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

Lixia Chen; Mingxia Liu; Sen Yang; Hong Zhao; Xin Yao; Xiangjun Li; Jinghua Meng

doi:10.1016/j.chroma.2021.462446

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

J Chromatogr A. 2021 Sep 27:1654:462446. doi: 10.1016/j.chroma.2021.462446. Epub 2021 Jul 30.

Authors

Lixia Chen¹, Mingxia Liu¹, Sen Yang¹, Hong Zhao¹, Xin Yao¹, Xiangjun Li², Jinghua Meng³

Affiliations

¹ School of Chemical Sciences, University of Chinese Academy of Sciences, Beijing, 100049, China.
² School of Chemical Sciences, University of Chinese Academy of Sciences, Beijing, 100049, China. Electronic address: [email protected].
³ Department of Mathematics, Xinzhou Teachers University, Xinzhou, Shanxi 034000, China.

PMID: 34384924
DOI: 10.1016/j.chroma.2021.462446

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.

Keywords: Amino acids; Electronic circular dichroism; Identification; Theoretical simulation.

MeSH terms

Amino Acids* / chemistry
Amino Acids* / isolation & purification
Chromatography, High Pressure Liquid*
Circular Dichroism*
Electronics
Electrophoresis, Capillary*
Stereoisomerism

Substances

Amino Acids