Pattern-Based Recognition for Determination of Enantiomeric Excess, Using Chiral Auxiliary Induced Chemical Shift Perturbation NMR

详细信息    查看全文

• 作者：Xinxiang Lei ; Lu Liu ; Xiaojing Chen ; Xiaochun Yu ; Lisheng Ding ; Anjiang Zhang
• 刊名：Organic Letters
• 出版年：2010
• 出版时间：June 4, 2010
• 年：2010
• 卷：12
• 期：11
• 页码：2540-2543
• 全文大小：157K
• 年卷期：v.12,no.11(June 4, 2010)
• ISSN：1523-7052

文摘

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.