Abstract
Coffee is a popular beverage owing to its unique flavor and diverse health benefits. The current study aimed at investigating the antioxidant activity, in relation to the phytochemical composition, of authenticated Brazilian green and roasted Coffea arabica and C. robusta, along with 15 commercial specimens collected from the Middle East. Ultra-high-performance liquid chromatography coupled to high-resolution mass spectrometry (UHPLC-ESI–HRMS) and UV spectrometry were employed for profiling and fingerprinting, respectively. With the aid of global natural product social molecular networking (GNPS), a total of 88 peaks were annotated as belonging to different chemical classes, of which 11 metabolites are reported for the first time in coffee seeds. Moreover, chemometric tools showed comparable results between both platforms, with more advantages for UV in the annotation of roasting products, suggesting that UV can serve as a discriminative tool. Additionally, antioxidant assays coupled with the UHPLC-ESI–HRMS dataset using partial least-squares discriminant analysis (PLS-DA) demonstrated that caffeoylquinic acid and caffeine were potential antioxidant markers in unroasted coffee versus dicaffeoyl quinolactone and melanoidins in roasted coffee. The study presents a multiplex metabolomics approach to the quality control of coffee, one of the most consumed beverages.
Highlights
The current study provides a comprehensive analysis of 15 commercial coffee seeds collected from the Middle East region along with four authenticated green and roasted arabica and robusta coffee seeds
The results revealed qualitative and quantitative differences in the peaks detected in authenticated coffee seed extracts derived from both species, either in positive or negative mode (Supplementary Figure S1A,B)
Both UHPLC–HRMS and UV spectroscopy coupled to multivariate data analysis revealed differences among authenticated Brazilian and commercial samples consumed in the Middle East
Summary
Beverages containing caffeine, including coffee, are consumed daily worldwide to improve cognitive functions. Three billion cups of coffee are consumed daily, expressed economically at the cost of ca. US $200 billion annually [1,2]. Though there are more than 120 species of Coffea, coffee is brewed mainly from the seeds of Coffea arabica
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