Geographic modulation of the phytochemical profile of Tithonia diversifolia (Hemsl.) A. Gray

<title>Abstract</title> <p>The chemical profile and temporal stability of hydroalcoholic extracts from Tithonia diversifolia collected in five locations in Espírito Santo, Brazil, were investigated. Samples were gathered during vegetative (2014) and reproductive (2015) stages, with a follow-up collection in 2024 for two sites (UFES-Vitória and Santa Teresa). Analysis using Fourier Transform Infrared Spectroscopy (FTIR), Mass Spectrometry (ESI-TOF), and chemometrics (PCA, HCA) was performed. FTIR confirmed functional groups characteristic of alcohols, phenols, and lipids. Multivariate analysis indicated clear geographical clustering, with samples from Santa Teresa showing the greatest chemical divergence and variability over time. ESI-TOF enabled the putative annotation of diverse bioactive metabolites, including hydroxycinnamic acids (e.g., caffeoylquinic acid), flavonoids, sesquiterpenes (tagitinin A), and fatty acids. After a decade of storage, qualitative composition remained largely stable, except in Santa Teresa, where quantitative shifts were more evident. The results demonstrate that the chemical composition of T. diversifolia exhibits significant spatial and temporal variation, influenced by geographical and phenological factors.</p>