Benchtop (60 MHz) proton NMR spectroscopy for quantification of 16-O-methylcafestol in lipophilic extracts of ground roast coffee

Gunning, Y., Defernez, M. and Kemsley, E. K. ORCID: https://orcid.org/0000-0003-0669-3883 (2023) Benchtop (60 MHz) proton NMR spectroscopy for quantification of 16-O-methylcafestol in lipophilic extracts of ground roast coffee. MethodsX, 10. ISSN 2215-0161

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Abstract

We present a method for analysing the lipophilic fraction extracted from ground coffee beans using 60 MHz proton ( 1H) NMR spectroscopy. In addition to the triglycerides from coffee oil, spectral features are seen from a range of secondary metabolites, such as various diterpenes. We demonstrate quantitation of a peak attributed to one such compound, 16-O-methylcafestol (16-OMC), which is of interest as a coffee species marker. It is present in low concentrations (<<50 mg/kg) in Coffea arabica L. (‘Arabica’) beans, but in orders of magnitude greater concentrations in other coffees, in particular the other commercially grown species C. canephora Pierre ex A. Froehner (commonly known as ‘robusta’). A series of coffee extracts spiked with 16-OMC analytical standard are used to establish a calibration, and to estimate 16-OMC concentrations in a range of different coffees (Arabicas and blends with robustas). To validate the method, values obtained are compared with an analogous quantitation method that uses high field (600 MHz) NMR spectroscopy.

Item Type: Article
Additional Information: Data availability statement: The data that has been used is confidential. Funding information: The authors gratefully acknowledge the support of the Biotechnology and Biological Sciences Research Council (BBSRC); this research was supported by the BBSRC Core Capability Grant number BB/CCG1860/1.
Uncontrolled Keywords: nmr,spectroscopy,coffee,triglycerides,metabolites,quantitation,medical laboratory technology,clinical biochemistry ,/dk/atira/pure/subjectarea/asjc/3600/3607
Faculty \ School: Faculty of Medicine and Health Sciences > Norwich Medical School
Faculty of Science > School of Chemistry, Pharmacy and Pharmacology
UEA Research Groups: Faculty of Medicine and Health Sciences > Research Centres > Population Health
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Depositing User: LivePure Connector
Date Deposited: 04 Nov 2024 10:30
Last Modified: 10 Nov 2024 06:30
URI: https://ueaeprints.uea.ac.uk/id/eprint/97448
DOI: 10.1016/j.mex.2023.102132

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