Abstract
The nutritional properties and safety of olive oil are strongly dependent on the content of mineral nutrients and trace elements. Hence, this work assesses the content for quality and toxic metals of olive oils from three major Portuguese cultivars ('Galega', 'Cobran double dagger osa' and 'Picual') obtained from olives in different ripening stages. This evaluation was achieved by flame atomic spectrometry and atomic absorption in a graphite furnace, depending on the metal to be analysed. The results showed mean concentrations of the mineral nutrients Ca and Mg of 20.00 A mu g g(-1), and K and Na of 40.00 and 170.00 A mu g g(-1), respectively, while the trace elements Fe, Co, Cu, Mn, Zn and Ni had mean values of 0.53, a parts per thousand currency sign 0.01, 0.33, 0.10, 1.09 and 0.64 A mu g g(-1), respectively. The mean content of the toxic metals Al, Cd, Pb and As were 27.46, 0.03, 0.09 and 0.36 A mu g g(-1), respectively, which were according to the values proposed by European regulations. The evaluation of the data obtained by partial least square regression allowed the identification of the minerals with the strongest potential to discriminate between the season (Na, Cu, Zn and Ni) and the cultivar employed in the olive oil performance (Fe and Mn).

Abstract
A number of traditional liqueurs are obtained by maceration of red fruits in aqueous ethanol liquor, namely sloe berries or sour cherry. On the other hand, the exploration of residual plant material derived from the winery industry (grape (Vitis vinifera L.) stems), which has been regarded as an interesting source of colored and uncolored (poly)phenols, could lead to an industrial alternative to the traditional distilled spirits produced, with valuable physicochemical and phytochemical properties. In the present work, vinification residues (grape stems) were used to produce a new beverage. The evaluation of the physic-chemical characteristics and phytochemical composition as well as the evolution of the determined parameters during maceration (90 and 180 days) allowed a number of interesting bioactive compounds to be identified. This new beverage is a liqueur with a high retention of phenolic compounds (ortho-diphenols, flavanols, flavonols, and anthocyanins), with interesting physic-chemical characteristics, that revealed significant antioxidant activity.

Abstract
The conformational preferences of a series of hydroxylated isoflavones were studied by optical vibrational spectroscopy (FTIR and Raman) coupled with density functional theory (DFT) calculations. Special attention was paid to the effect of the hydroxyl substitution, due to the importance of this group in the biological activity of these systems. The isoflavones investigated - daidzein, genistein and formononetin - were shown to exist in distinct conformations in the solid state, namely regarding the orientation of the hydroxylic groups at C-7 and within the catechol moiety, that are determinant factors for their conformational behaviour and antioxidant ability. In the light of the most stable conformers obtained for each molecule, a complete assignment of their experimental vibrational spectra was performed.

Abstract
The conformational preferences of a series of hydroxyflavones were studied by Raman and FTIR spectroscopies, coupled to Density Functional Theory calculations. Special attention was paid to the effect of hydroxyl substitution, due to its importance on the biological activity of these compounds. Their conformational preferences were found to be determined mainly by the orientation of the hydroxylic groups at C-7 and within the catechol moiety, leading to the occurrence of distinct conformers in the solid state. A complete assignment of the experimental spectra was carried out for these molecules, in the light of their most stable conformers and the corresponding predicted vibrational pattern.

Abstract

Abstract