Literature DB >> 35442679

Examples Showing the Utility of Doping Experiments in 1H NMR Analysis of Mixtures.

Trinadh Kaicharla1, Bhavani Shankar Chinta1, Thomas R Hoye1.   

Abstract

Here we provide examples that demonstrate the value of using properly designed and easily performed doping experiments to give insights about the nature of the analyte(s) present in a 1H NMR sample. Two mixtures, the first quite complex and the second far less so, have been chosen: (i) the crude pyrolysate from reaction of butyric acid in (supercritical) water at 600 °C and (ii) a mixture of two basic amines. In the former, 13 distinct carbonyl-containing compounds, ranging in relative concentration of nearly 2 orders of magnitude, were positively identified. The latter highlights the advantage of using a doping experiment as opposed to merely comparing the spectra from two separate samples containing the same analyte.

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Year:  2022        PMID: 35442679      PMCID: PMC9583569          DOI: 10.1021/acs.joc.1c03127

Source DB:  PubMed          Journal:  J Org Chem        ISSN: 0022-3263            Impact factor:   4.198


  15 in total

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Review 3.  Solvent derived artifacts in natural products chemistry.

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5.  NMR for Mixture Analysis: Concentration-Ordered Spectroscopy.

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8.  HiFSA fingerprinting applied to isomers with near-identical NMR spectra: the silybin/isosilybin case.

Authors:  José G Napolitano; David C Lankin; Tyler N Graf; J Brent Friesen; Shao-Nong Chen; James B McAlpine; Nicholas H Oberlies; Guido F Pauli
Journal:  J Org Chem       Date:  2013-03-05       Impact factor: 4.354

9.  A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments.

Authors:  Anthony C Dona; Michael Kyriakides; Flora Scott; Elizabeth A Shephard; Dorsa Varshavi; Kirill Veselkov; Jeremy R Everett
Journal:  Comput Struct Biotechnol J       Date:  2016-03-09       Impact factor: 7.271

Review 10.  NMR Spectroscopy for Metabolomics Research.

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Journal:  Metabolites       Date:  2019-06-27
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