Estudos de biomoléculas por PAS e TDDFT em açaí in natura.

Abstract

Due to the notoriety of açaí being rich in functional biomolecules, this work is motivated by the need to investigate this fruit as a good source of anthocyanins. THE This dissertation is developed by searching for answers to these research problems: What are the main anthocyanin biomolecules in tropical fruit - açaí? As Photoacoustic Spectroscopy, together with the calculation of electronic transitions via TDDFT explains RED SHIFT, due to the functional groups of these molecules and their positions in the structure? In order for answers to be presented to these questions, the general objective of this investigation is to verify the functional anthocyanins biomolecules in açaí in natura. Specifically, the objectives are: 1) to associate the use of Photoacoustic Spectroscopy together with the calculations of electronic transitions via TDDFT; 2) analyze the observed RED SHIFT in the six main identified anthocyanins, according to the functional groups and their positions in the structure. For the effectiveness of this verification, açaí samples were obtained fresh from the Amazon region and analyzed by means of the photoacoustic spectrometer belonging to the Laboratory of Photoacoustics, Academic Unit of Physics, Federal University of Campina Grande; together with Time Dependent Functional Theory (TDDFT) calculations and UV-Visible spectra found in the literature. The analysis and discussions produced showed that the photoacoustic technique allowed the aforementioned identification without the use of a solvent, which would shift the peaks to longer lengths. In summary, the meticulous literature review and systematic analysis developed reveal the unprecedentedness of this work, using the photoacoustics technique, combined with TDDFT calculations, both applied in fresh açai, to analyze the anthocyanin group.