Chemometrics of the Composition and Antioxidant Capacity of Hyptis crenata Essential Oils from Brazil

Hyptis crenata (Pohl) ex Benth is used in traditional medicine as an analgesic to treat general pain. Six Hyptis crenata samples (Hc-1 to Hc-6) were collected in Para state, Brazil. The leaf essential oils were obtained by hydrodistillation, and GC-MS and GC-FID were used to analyze their chemical compositions. The antioxidant capacity was measured in vitro using DPPH and carotene/linoleic acid assays. Chemometrics analysis (PCA, HCA, and clustered heat map) were used to identify the sample relationships between those collected in this study and those from the literature (Hc-7 to Hc-16) samples. According to the main chemical constituents identified in the samples described in this work and the literature, the sixteen samples were classified into ten groups. Group I was characterized by 1,8-cineole (31.0%), alpha-pinene (13.6%), (E)-caryophyllene (7.8%), and beta-pinene (7.6%); and Group IV was characterized by 1,8-cineole (17.4-23.5%), alpha-pinene (15.7-23.5%), beta-pinene (10.5-13.4%), and limonene (8.5-9.7%). Both groups are described for the first time. The total antioxidant capacity was expressed in Trolox Equivalent Antioxidant Capacity values (TEAC): TEAC of Hc-5 (551.9 mg.TE/g) and Hc-6 (475.1 mg.TE/g). In the beta-carotene/linoleic acid assay, the highest inhibition was from Hc-2 (40.0%), Hc-6 (39.0%), and Hc-3 (29.4%).

Automated summary

Six samples of Hyptis crenata were collected in Para state, Brazil, and their leaf essential oils were analyzed. Chemometrics analysis revealed the classification of the samples into two new chemical composition groups. Hc-5 and Hc-6 showed the highest antioxidant capacity.