“Enantiodifferentiation through Frequency-Selective Pure-Shift 1H Nuclear Magnetic Resonance Spectroscopy” by Laura Castañar, Míriam Pérez-Trujillo, Pau Nolis, Eva Monteagudo, Albert Virgili and Teodor Parella. ChemPhysChem,15 (2014) 854-857.
A frequency-selective 1D 1H NMR experiment for the fast and sensitive determination of chemical shift differences between overlapped resonances is proposed. The resulting fully homodecoupled 1H resonances appear as resolved 1D singlets without their typical JHH multiplet structure. The achieved high signal dispersion is here exploited in enantiodiscrimination studies using chiral solvating agents. Continue reading Rapid and efficient enantiodifferentiation through frequency-selective pure-shift 1H NMR spectroscopy
“13C NMR spectroscopy for the differentiation of enantiomers using chiral solvating agents” Míriam Pérez-Trujillo, Eva Monteagudo and Teodor Parella. Analytical Chemistry, 2013, 85 (22), pp 10887–10894. DOI: 10.1021/ac402580j
The utility of 13C NMR spectroscopy for the differentiation of enantiomers using chiral solvating agents (CSA) is stated. Three examples involving the enantiodifferentiation of a drug, a metabolite and a reactant in aqueous and organic solutions have been chosen to show it. Continue reading Enantiodifferentiation through 13C NMR Spectroscopy and CSAs
“Chiral Metabonomics: 1H NMR-Based Enantiospecific Differentiation of Metabolites in Human Urine via Direct Cosolvation with β-Cyclodextrin” Míriam Pérez-Trujillo, John C. Lindon, Teodor Parella, Hector C. Keun, Jeremy K. Nicholson and Toby J. Athersuch. Analytical Chemistry, February 2012 DOI:10.1021/ac203291d
Differences in molecular chirality remain an important issue in drug metabolism and pharmacokinetics for the pharmaceutical industry and regulatory authorities and chirality is an important feature of many endogenous metabolites. We present a 1H NMR-based method for the rapid, direct differentiation and identification of chiral drug enantiomers in human urine without pre-treatment of any kind. Continue reading CHIRAL METABONOMICS: Giving Metabonomics a Chiral Dimension