title: Pattern-based recognition for determination of enantiomeric excess, using chiral auxiliary induced chemical shift perturbation NMR.
abstract: A protocol for the determination of enantiomeric excess of chiral carboxylic acid, using the subtle frequency shifts (chemical shift perturbation) in NMR spectra induced by chiral auxiliary, is described. The spectra were analyzed with two pattern recognition protocols. Principal component analysis demonstrated good enantioselective separation of the analytes, and partial least-squares was used to analyze ee values of unknown samples.
authors.affiliation: College of Chemistry & Materials Engineering, Wenzhou University, Wenzhou 325035, People's Republic of China. xinxianglei@gmail.com
authors.forename: Xinxiang
authors.initials: X
authors.lastname: Lei
authors.forename: Lu
authors.initials: L
authors.lastname: Liu
authors.forename: Xiaojing
authors.initials: X
authors.lastname: Chen
authors.forename: Xiaochun
authors.initials: X
authors.lastname: Yu
authors.forename: Lisheng
authors.initials: L
authors.lastname: Ding
authors.forename: Anjiang
authors.initials: A
authors.lastname: Zhang
mesh_terms: D002264:Carboxylic Acids / Q000032:analysis*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D015394:Molecular Structure; D010363:Pattern Recognition, Automated / Q000379:methods*; D013237:Stereoisomerism
chemical_list: D002264:Carboxylic Acids