Abstract
An untargeted metabolomics strategy using hydrophilic interaction chromatography-mass spectrometry (HILIC-MS) was developed in this work enabling the study of the coffee roasting process. Green coffee beans and coffee beans submitted to three different roasting degrees (light, medium, and strong) were analyzed. Chromatographic separation was carried out using water containing 10 mM ammonium formate with 0.2 % formic acid (mobile phase A) and acetonitrile containing 10 mM ammonium formate with 0.2 % formic acid (mobile phase B). A total of 93 molecular features were considered from which 31 were chosen as the most statistically significant using variable in the projection values. 13 metabolites were tentatively identified as potential biomarkers of the coffee roasting process using this metabolomic platform. Results obtained in this work were complementary to those achieved using orthogonal techniques such as reversed-phase liquid chromatography-mass spectrometry (RPLC-MS) and capillary electrophoresis-mass spectrometry (CE-MS) since only one metabolite was found to be common between HILIC-MS and RPLC-MS platforms (caffeoylshikimic acid isomer) and other between HILIC-MS and CE-MS platforms (choline). On the basis of these results, an untargeted metabolomics multiplatform is proposed in this work based on the integration of the three orthogonal techniques as a powerful tool to expand the coverage of the roasted coffee metabolome.
Highlights
Coffee is a valuable and highly consumed drink over the world due to its interesting organoleptic characteristics [1]
On the basis of these results, an untargeted metabolomics multiplatform is proposed in this work based on the integration of the three orthogonal techniques as a powerful tool to expand the coverage of the roasted coffee metabolome
In order to achieve the metabolomics analysis of coffee samples submitted to different roasting degrees, a method based on the coupling HILIC-mass spectrometry (MS) was tuned for the given samples
Summary
Coffee is a valuable and highly consumed drink over the world due to its interesting organoleptic characteristics [1]. The most abundant coffee bioactive compounds are caffeine, chlorogenic acids, and trigonelline followed by diterpene alcohols, such as cafestol and kahweol, and non-digestible fiber. There are many works in the literature focused on the study of these bioactive coffee compounds [2]. Metabolomics is focused on the analysis of the metabolome of a certain biological system which is composed of molecules with a molecular mass below 1500 Da. Metabolomics is focused on the analysis of the metabolome of a certain biological system which is composed of molecules with a molecular mass below 1500 Da This strategy has been employed for the discrimination of coffee varieties and geographical origins [4,5,6,7,8,9,10,11,12,13], caffeinated and decaffeinated coffees [14], and ground roasted and instant coffees [15]
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