Identification of chemical clusters discriminators of the roast degree in Arabica and Robusta coffee beans

To identify chemical parameters that might be used as discriminators, pH, soluble solids, caffeine, trigonelline, total caffeoylquinic acids, 3-O-caffeoylquinic acid, 4-O-caffeoylquinic acid, 5-O-caffeoylquinic acid, total dicaffeoylquinic acids, 3,4-O-dicaffeoylquinic acid, 3,5-O-dicaffeoylquinic acid, 4,5-O-dicaffeoylquinic acid, total feruloylquinic acids, 3-O-feruloylquinic acid, and 5-O-feruloylquinic acid were measured in Arabica and Robusta coffees submitted to three roasting levels. It was found that the fraction of soluble solids increased with roasting level, being slightly higher in Robusta roasted coffee. The contents of caffeine did not vary significantly between roasting degrees within the Arabica and Robusta samples, respectively, revealing a considerable stability during browning. The contents of trigonelline in Arabica and Robusta coffee decreased significantly with browning intensification. Overall, the levels of chlorogenic acids remained higher in Robusta roasted coffee beans but decreased sharply with roast increase. With roasting intensification, the ratio of total caffeoylquinic acids, total dicaffeoylquinic acids, and total feruloylquinic acids varied markedly in both species, with the proportion of total caffeoylquinic acids and total feruloylquinic acids increasing significantly, whereas the opposite occurred with dicaffeoylquinic acids. One can conclude, through the application of a multivariate analysis, that these chemicals form four clusters, constituting caffeine, trigonelline, total dicaffeoylquinic acids, and total feruloylquinic acids a relevant group for T₃ roasting level discrimination, in both coffee species. Additionally, detailing discriminators for roasting intensity in Arabica coffee might be caffeine, trigonelline, 3-O-caffeoylquinic acid, and 4-O-caffeoylquinic acid, whereas in Robusta roasted coffee are trigonelline, 3-O-caffeoylquinic acid, 4-O-caffeoylquinic acid, 5-O-caffeoylquinic acid, 3,4-O-dicaffeoylquinic acid, 3,5-O-dicaffeoylquinic acid, 4,5-O-dicaffeoylquinic acid, 3-O-feruloylquinic acid, and 5-O-feruloylquinic acid.