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60 MHz (1)H NMR spectroscopy for the analysis of edible oils()

We report the first results from a new 60 MHz (1)H nuclear magnetic resonance (NMR) bench-top spectrometer, Pulsar, in a study simulating the adulteration of olive oil with hazelnut oil. There were qualitative differences between spectra from the two oil types. A single internal ratio of two isolate...

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Detalles Bibliográficos
Autores principales: Parker, T., Limer, E., Watson, A.D., Defernez, M., Williamson, D., Kemsley, E. Kate
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Scientific Publishing 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4024201/
https://www.ncbi.nlm.nih.gov/pubmed/24850979
http://dx.doi.org/10.1016/j.trac.2014.02.006
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author Parker, T.
Limer, E.
Watson, A.D.
Defernez, M.
Williamson, D.
Kemsley, E. Kate
author_facet Parker, T.
Limer, E.
Watson, A.D.
Defernez, M.
Williamson, D.
Kemsley, E. Kate
author_sort Parker, T.
collection PubMed
description We report the first results from a new 60 MHz (1)H nuclear magnetic resonance (NMR) bench-top spectrometer, Pulsar, in a study simulating the adulteration of olive oil with hazelnut oil. There were qualitative differences between spectra from the two oil types. A single internal ratio of two isolated groups of peaks could detect hazelnut oil in olive oil at the level of ∼13%w/w, whereas a whole-spectrum chemometric approach brought the limit of detection down to 11.2%w/w for a set of independent test samples. The Pulsar’s performance was compared to that of Fourier transform infrared (FTIR) spectroscopy. The Pulsar delivered comparable sensitivity and improved specificity, making it a superior screening tool. We also mapped NMR onto FTIR spectra using a correlation-matrix approach. Interpretation of this heat-map combined with the established annotations of the NMR spectra suggested a hitherto undocumented feature in the IR spectrum at ∼1130 cm(−1), attributable to a double-bond vibration.
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spelling pubmed-40242012014-05-19 60 MHz (1)H NMR spectroscopy for the analysis of edible oils() Parker, T. Limer, E. Watson, A.D. Defernez, M. Williamson, D. Kemsley, E. Kate Trends Analyt Chem Review We report the first results from a new 60 MHz (1)H nuclear magnetic resonance (NMR) bench-top spectrometer, Pulsar, in a study simulating the adulteration of olive oil with hazelnut oil. There were qualitative differences between spectra from the two oil types. A single internal ratio of two isolated groups of peaks could detect hazelnut oil in olive oil at the level of ∼13%w/w, whereas a whole-spectrum chemometric approach brought the limit of detection down to 11.2%w/w for a set of independent test samples. The Pulsar’s performance was compared to that of Fourier transform infrared (FTIR) spectroscopy. The Pulsar delivered comparable sensitivity and improved specificity, making it a superior screening tool. We also mapped NMR onto FTIR spectra using a correlation-matrix approach. Interpretation of this heat-map combined with the established annotations of the NMR spectra suggested a hitherto undocumented feature in the IR spectrum at ∼1130 cm(−1), attributable to a double-bond vibration. Elsevier Scientific Publishing 2014-05 /pmc/articles/PMC4024201/ /pubmed/24850979 http://dx.doi.org/10.1016/j.trac.2014.02.006 Text en © 2014 The Authors https://creativecommons.org/licenses/by-nc-nd/3.0/This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
spellingShingle Review
Parker, T.
Limer, E.
Watson, A.D.
Defernez, M.
Williamson, D.
Kemsley, E. Kate
60 MHz (1)H NMR spectroscopy for the analysis of edible oils()
title 60 MHz (1)H NMR spectroscopy for the analysis of edible oils()
title_full 60 MHz (1)H NMR spectroscopy for the analysis of edible oils()
title_fullStr 60 MHz (1)H NMR spectroscopy for the analysis of edible oils()
title_full_unstemmed 60 MHz (1)H NMR spectroscopy for the analysis of edible oils()
title_short 60 MHz (1)H NMR spectroscopy for the analysis of edible oils()
title_sort 60 mhz (1)h nmr spectroscopy for the analysis of edible oils()
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4024201/
https://www.ncbi.nlm.nih.gov/pubmed/24850979
http://dx.doi.org/10.1016/j.trac.2014.02.006
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