Influence of sample preparation methods on FTIR spectra for taxonomic identification of tropical trees in the...

The Atlantic forest is one of the world's major tropical biomes due to its rich biodiversity. Its vast diversity of plant species poses challenges in floristic surveys. Fourier transform infrared spectroscopy (FTIR) enables rapid and residue-free data collection, providing diverse applications in organic sample analysis. FTIR spectra quality depends on the sample preparation methodology. However, no research on FTIR spectroscopy methodology for taxonomy has been conducted with tropical tree species. Hence, this study addresses the sample preparation influence on FTIR spectra for the taxonomic classification of 12 tree species collected in the Serra do Mar State Park (PESM) - Cunha Nucleus - São Paulo State, Brazil. Spectra were obtained from intact fresh (FL), intact dried (DL), and heat-dried ground (GL) leaves. The spectra were evaluated through chemometrics using Principal Component Analysis (PCA), Hierarchical Cluster Analysis (HCA), and Linear Discriminant Analysis (LDA) with validation by LDA-PCA. The results demonstrate that sample preparation directly influences tropical species FTIR spectra categorization capability. The best taxonomic classification result for all techniques, validated by LDA-PCA, was obtained from GL. FTIR spectra evaluation through PCA, HCA, and LDA allow for the observation of phylogenetic relationships among the species. FTIR spectroscopy proves to be a viable technique for taxonomic evaluation of tree species in floristic exploration of tropical biomes which can complement traditional tools used for taxonomic studies.