1H NMR metabolic profiling and antioxidant activity of Papua Arabica green coffee beans

• 1 H NMR reveals to metabolite profiles of Papua green coffee. • Sucrose detected as the most abundant among 28 metabolites identified. • OPLS-DA effectively distinguished origin and post-harvest. • Coffee markers reflected Papua coffee uniqueness. • CQAs contributed significantly to antioxidant activity in samples. Papua Arabica is an authentic Indonesian coffee with a unique sensory profile. It is chemically linked to its metabolites. However, the metabolite profiles and bioactivity of Papua Arabica remain largely unexplored. The metabolic profiling of Arabica green coffee beans from four Papua regions (Jayawijaya, Pegunungan Bintang, Lanny Jaya, and Yahukimo) was investigated using 1 H NMR. The antioxidant activity was evaluated through the DPPH and FRAP assays. A total of 28 metabolites were successfully identified in all samples, including 6 amino acids, 4 fatty acids, 8 organic acids, 3 sugars, 1 sugar alcohol, 2 alkaloids, 3 phenolics, and anothercompound. Sucrose (a sugar compound) was the most abundant (4.16-5.55%) of the total metabolite composition. The OPLS-DA statistical model effectively distinguished samples based on their geographical origin and postharvest treatment. In addition, potential markers for different coffees were also identified, including fatty acids and leucine (Jayawijaya); sucrose, citric acid, quinic acid, and GABA (Pegunungan Bintang); trigonelline and malic acid (Lanny Jaya); CQAs (Yahukimo); acetic acid and GABA (natural); citric acid (semi-wash); and fatty acids with CQAs (full-wash). Papua Arabica green coffee beans exhibited significant antioxidant activity in the DPPH assay (IC 50 = 33.27-39.02 mg/L) and the FRAP assay (29.99-36.45 mg/L). CQAs were identified as key contributors to the antioxidant activity. This study provides novel insights into the metabolic profiling of Papua Arabica green coffee beans by 1 H NMR and its correlation with the antioxidant activity, contributing to the development of the coffee industry and potential health benefits.