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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier Scientific Publishing
2014
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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. |
format | Online Article Text |
id | pubmed-4024201 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | Elsevier Scientific Publishing |
record_format | MEDLINE/PubMed |
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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