BIOMAT Database Logo BIOMAT Database Logo

Pattern-based recognition for determination of enantiomeric excess, using chiral auxiliary induced chemical shift perturbation NMR. 2010

Xinxiang Lei, and Lu Liu, and Xiaojing Chen, and Xiaochun Yu, and Lisheng Ding, and Anjiang Zhang
College of Chemistry & Materials Engineering, Wenzhou University, Wenzhou 325035, People's Republic of China. xinxianglei@gmail.com

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.

UI MeSH Term Description Entries
D009682 Magnetic Resonance Spectroscopy Spectroscopic method of measuring the magnetic moment of elementary particles such as atomic nuclei, protons or electrons. It is employed in clinical applications such as NMR Tomography (MAGNETIC RESONANCE IMAGING). In Vivo NMR Spectroscopy,MR Spectroscopy,Magnetic Resonance,NMR Spectroscopy,NMR Spectroscopy, In Vivo,Nuclear Magnetic Resonance,Spectroscopy, Magnetic Resonance,Spectroscopy, NMR,Spectroscopy, Nuclear Magnetic Resonance,Magnetic Resonance Spectroscopies,Magnetic Resonance, Nuclear,NMR Spectroscopies,Resonance Spectroscopy, Magnetic,Resonance, Magnetic,Resonance, Nuclear Magnetic,Spectroscopies, NMR,Spectroscopy, MR
D010363 Pattern Recognition, Automated In INFORMATION RETRIEVAL, machine-sensing or identification of visible patterns (shapes, forms, and configurations). (Harrod's Librarians' Glossary, 7th ed) Automated Pattern Recognition,Pattern Recognition System,Pattern Recognition Systems
D002264 Carboxylic Acids Organic compounds containing the carboxy group (-COOH). This group of compounds includes amino acids and fatty acids. Carboxylic acids can be saturated, unsaturated, or aromatic. Carboxylic Acid,Acid, Carboxylic,Acids, Carboxylic
D013237 Stereoisomerism The phenomenon whereby compounds whose molecules have the same number and kind of atoms and the same atomic arrangement, but differ in their spatial relationships. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed) Molecular Stereochemistry,Stereoisomers,Stereochemistry, Molecular,Stereoisomer
D015394 Molecular Structure The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type and location of covalent bonds. Structure, Molecular,Molecular Structures,Structures, Molecular

Related Publications

Xinxiang Lei, and Lu Liu, and Xiaojing Chen, and Xiaochun Yu, and Lisheng Ding, and Anjiang Zhang
Chiral reagents for the determination of enantiomeric excess and absolute configuration using NMR spectroscopy.
March 2003, Chirality,
Xinxiang Lei, and Lu Liu, and Xiaojing Chen, and Xiaochun Yu, and Lisheng Ding, and Anjiang Zhang
NMR methods for determination of enantiomeric excess.
January 2000, Enantiomer,
Xinxiang Lei, and Lu Liu, and Xiaojing Chen, and Xiaochun Yu, and Lisheng Ding, and Anjiang Zhang
Discrimination and Enantiomeric Excess Determination of Chiral Primary Amines Based on a Chiral-at-Metal Ir(III) Complex Using NMR Spectroscopy.
September 2017, Inorganic chemistry,
Xinxiang Lei, and Lu Liu, and Xiaojing Chen, and Xiaochun Yu, and Lisheng Ding, and Anjiang Zhang
Determination of the enantiomeric purity of mevalonolactone via NMR using a chiral lanthanide shift reagent.
May 1982, Journal of lipid research,
Xinxiang Lei, and Lu Liu, and Xiaojing Chen, and Xiaochun Yu, and Lisheng Ding, and Anjiang Zhang
Chiral recognition and determination of enantiomeric excess by mass spectrometry: A review.
May 2017, Analytica chimica acta,
Xinxiang Lei, and Lu Liu, and Xiaojing Chen, and Xiaochun Yu, and Lisheng Ding, and Anjiang Zhang
NMR Spectroscopic Determination of Enantiomeric Excess Using Small Prochiral Molecules.
May 2018, The journal of physical chemistry. B,
Xinxiang Lei, and Lu Liu, and Xiaojing Chen, and Xiaochun Yu, and Lisheng Ding, and Anjiang Zhang
Importance of molecular symmetry for enantiomeric excess recognition by NMR.
April 2022, Chemical communications (Cambridge, England),
Xinxiang Lei, and Lu Liu, and Xiaojing Chen, and Xiaochun Yu, and Lisheng Ding, and Anjiang Zhang
A new chiral shift reagent for the determination of enantiomeric excess and absolute configuration in cyanohydrins.
March 2009, Chemical communications (Cambridge, England),
Xinxiang Lei, and Lu Liu, and Xiaojing Chen, and Xiaochun Yu, and Lisheng Ding, and Anjiang Zhang
Novel chiral derivatizing isothiocyanate-based agent for the enantiomeric excess determination of amines.
June 2009, Chemical communications (Cambridge, England),
Xinxiang Lei, and Lu Liu, and Xiaojing Chen, and Xiaochun Yu, and Lisheng Ding, and Anjiang Zhang
Pattern-based recognition for the rapid determination of identity, concentration, and enantiomeric excess of subtly different threo diols.
September 2009, Journal of the American Chemical Society,
Copied contents to your clipboard!