Identification of Phytochemical Compounds in Coffea arabica Whole Coffee Cherries and Their Extracts by LC-MS/MS

Abstract

The current work assessed the phytochemical contents of Arabica whole coffee cherry (WCC) and its two commercially available extracts: a minimum 40% chlorogenic acid (CGA; WCCE-1) and 70% caffeine (WCCE-2). Mass spectrometry analyses tentatively identified 219 phytochemicals in the three coffee samples, which is, so far, the largest number of identifications in a single study. A new group of CGA derivative namely caffeoylvaleroylquinic acid (CVQA) was identified in the three samples. Moreover, three 5-hydroxytryptamide derivatives (C 20 -5HT, C 22 -5HT, and C 24 -5HT) were identified in WCC but not in the extracts. Two groups of atractyligenin derivatives (carboxyatractyligenin and noncarboxyatractyligenin) were identified in the three samples. Furthermore, our results show that both extracts retained a large number of phenolic and other potentially bioactive compounds that were naturally present in whole coffee cherry (WCC).

Quantification of Major Bioactive Constituents, Antioxidant Activity, and Enzyme Inhibitory Effects of Whole Coffee Cherries (Coffea arabica) and Their Extracts

“…Our previous reports and studies from other laboratories have shown that coffee cherries are a rich source of polyphenolic compounds [ 13 , 14 , 15 , 16 ]. Various extraction and analytical methods have been used to identify several phenolic compounds, including phenolic acids, flavonoids, alkaloids, and organic acids.…”

“…WCCE1 and WCCE2 were prepared from whole coffee cherries and were commercially marketed as Coffeeberry ® by VDF FutureCeuticals, Inc. (Momence, IL, USA). WCCE1, commercially marketed as “Neurofactor™”, was produced using a proprietary multi-step 70% ethanol/water extraction and purification method, followed by spray-drying [ 13 ]. WCCE2, commercially marketed as “Coffeeberry ® Energy 70%”, was prepared by using a proprietary water extraction and purification procedure and was subsequently spray-dried [ 13 ].…”

“…LC-MS/MS analysis was performed as described previously by Nemzer et al [ 13 ]. LC-MS/MS analysis was performed on a Q-Exactive Hybrid Quadrupole-Orbitrap mass spectrometer (Thermo Scientific, Waltham, MA, USA) coupled to a Dionex UltiMate 3000 UHPLC system (Thermo Scientific).…”

“…Coffee cherries are good sources of diverse phytonutrients. Our recent in-depth profiling study of phytochemicals in C. arabica identified up to 219 compounds, consisting of isomers of chlorogenic acids (CGAs), flavonoids, alkaloids, eicosanoyl-5-hydroxytryptamide (EHT), atractyligenin, and carboxyatractyligenin derivatives [ 13 ]. Caffeine, trigonelline, and CGAs are some of the major compounds present in green coffee beans, with large variations within cultivars.…”

Neurophysiological Effects of Whole Coffee Cherry Extract in Older Adults with Subjective Cognitive Impairment: A Randomized, Double-Blind, Placebo-Controlled, Cross-Over Pilot Study

“…Because of the observed beneficial effects of WCCE in the extant literature that are commensurate with evidence from other polyphenol-rich materials [7,21,22] and in light of the mounting evidence suggesting that polyphenols have neurotrophic effects [23][24][25][26], it is important to consider the chemical properties of WCCE that may drive the mechanisms involved in such effects. Recently, the phytochemical profile of WCCE was determined by a high-resolution non-targeted mass spectrometry approach (Figure 1) [27]. Importantly, one of the most abundant and widely distributed polyphenols in plants are chlorogenic acids, which are well-known for their antioxidant, anti-inflammatory, antihypertensive, and therapeutic properties [28][29][30].…”