196,139 research outputs found
SCXRD dataset for "Synthesis of 2-amino-5-methylpyridinium tetrachloridocadmate(II) (C6H9N2)2[CdCl4]: Structure, DFT-calculated descriptors and molecular docking study"
Dataset del artículo Jomaa, Ikram; Bardak, Fehmi; ISSAOUI, N.; Cabeza, Aurelio; Choquesillo-Lazarte, Duane CSIC ORCID; Atac, A.; Marouani, Houda; Al-Dossary, Omar M. Synthesis of 2-amino-5-methylpyridinium tetrachloridocadmate(II) (C6H9N2)2[CdCl4]: Structure, DFT-calculated descriptors and molecular docking study. Journal of King Saud University - Science 36 (2024)King Saud UniversityPeer reviewe
Sustainability opportunities for Mediterranean Food Products through new formulations based on carob flour (Ceratonia siliqua L.)
Carob flour is increasingly popular in innovative functional foods. Its main producers are Mediterranean countries, facing health and nutrition challenges, and difficulties in tackling climate change. This study aims at formulating innovative sustainable bakery products of high nutritional value while pleasing the consumer and addressing regional challenges. Hence, carob flour was obtained by grinding sun-dried carob pods, thus reducing the environmental impact, and preserving carob’s high nutraceutical value. Different bread formulations resulted from the blend of wheat flour with carob pulp (5, 10, 20, and 30%) and/or seed powder (5 and 10%), with no added fats, additives, or processing aids. New products were evaluated for their textural, chromatic, nutritional, aromatic, and hedonic properties. Carob is rich in aroma, antioxidants, and prebiotic fibers, and does not contain gluten, so when combined with wheat, the proportion of gluten in bread is reduced. Carob is also rich in minerals (4.16% and 2.00% ash, respectively in seed and pulp), and breadmaking seems to generate lesser furane derivatives than in white bread. In short, carob is typically Mediterranean and is a valuable local resource in the formulation of sustainable foods with high nutritional value, low carbon footprint, safe, healthy, tasty, and affordable, all at once.info:eu-repo/semantics/publishedVersio
Volatile compounds and oxidative stability of Pinus halepensis Mill. seed oil under heating conditions
Heating conditions of Pinus halepensis seed oil were monitored to evaluate the effect of thermo-oxidation processes on the bioactive compounds contained in the samples. The following parameters were monitored: ultra violet absorption at 232 and 270 nm, fatty acid composition, oxidative stability, antiradical activity and aromatic profiles. Under thermo-oxidation process, trans fatty acids (TFA) increased and conjugated linoleic acid isomers appeared. The antiradical activity significantly decreased from 73.3% to 52.5% after 120 min of heating. Oxidative stability decreased (r = 0.70). The volatile profile was heavily influenced by heating with the formation of new volatile compounds, such as the two isomers (E,Z)-2,4-decadienal and (E,E)-2,4-decadienal. a-pinene, and the main terpene compound was very vulnerable to heating conditions. Despite its peculiar pleasant aroma and nutritional value, the P. halepensis seed oil should not be used for cooking. Indeed, under frying conditions, its antioxidant properties and oxidative stability are lost and potential toxic compounds, such as TFA and unsaturated aldehydes, are forme
Comparison between virgin olive oil and flavoured olive oil in terms of quality parameters, volatile compounds, and consumer preference
Analytical parameters, fatty acid composition, total phenols, pigments, volatiles compounds and hedonic characteristics were studied for unflavoured (EVOO) and flavoured (FOO) Chemlali olive oils. FOO were prepared by addition of commercial aromatic preparation of herbs, basil, thyme, rosemary and pizza, to Chemlali olive oil. The hedonic study was conducted to assess Tunisian consumers’ appreciation degree of FOO. The addition of commercial aromatic preparations caused an increase in the concentration of phenols only in two-FOO, the thyme and pizza-flavoured ones. The K270 value of FOO oil was higher than K270 value in EVOO. However, no modification on acidity, peroxide value, and K232 and in the oxidative stability was detected. As expected, the addition of aromatic solutions led to a remarkable modification in the aromatic composition of the olive oil. These changes appeared to be responsible for the large variability of consumers’ preference towards EVOO and FOO. However, it became clear that consumers preferred the FOO
Enrichment of white flour with spices positively impacts safety and consumer acceptance of bread
Aiming at increasing the nutritional value and sensory quality of bread, we assessed the enrichment of white flour with different levels of powdered cinnamon and pomegranate peel, through rheological, nutritional, aromatic, textural and sensory analyses. These extra ingredients were chosen for their richness in bioactive compounds, and they differently affected bread quality. In relation to raw flour, introduced ingredients slightly decreased moisture and protein content, while increasing ash, fibre and radical scavenging activity, which can be attributed to the sharing of aromatic compounds by cinnamon and pomegranate peel during the bread making process. When cinnamon was incorporated at 1%, the content of all furan derivatives was reduced up to 1/4 of initial value, 2-pentyl furan totally disappeared, and furfuryl alcohol was reduced to 2.1%. Despite enriched bread’s texture was slightly worse, it was still acceptable in sensory tests, as 150 interviewed naive consumers preferred the new product over the control
Synthesis of novel supramolecular selenomolybdate as anticancer agents: An experimental and DFT computational analysis
A novel organic-inorganic material based on three-dimensional (3D) Strandberg-type polyoxoselenomolybdate, (C6H14N2)2[Se2Mo5O21]& sdot;2 & sdot;6H2O (I, where C6H14N2 = DABCO cation) was successfully synthesized by solution process and characterized by scanning electron microscopy (SEM), infrared (FT-IR) and ultraviolet (UV-vis) spectroscopies, thermogravimetric analysis (TGA), cyclic voltammetry (CV) measurement. The electronic and electrochemical behavior of the compound was further evaluated as a function of pH and time via UV-vis spectroscopy and CV. Single crystal X-Ray diffraction (XRD) technique was used for complete structure elucidation. The title compound crystallizes in the non-centrosymmetric orthorhombic space group P212121, thus resulting in non-linear optical properties. The supramolecular framework exhibits a periodic arrangement of Strandberg clusters anions [Se2Mo5O21]4- connected to each other with water molecules and dabconium cations, through a network of hydrogen bonds and van der Waals interactions. The occurrence of intermolecular interactions, ensuring the cohesion between different entities, was assessed by density functional theory (DFT) calculations and Hirshfeld surface analysis. DFT calculations with different functionals have been used to better understand several properties like as RDG, QTAIMs, ELF, MEP and NLO. A good agreement was indeed found between the experimental and computational results. Furthermore, the (C6H14N2)2[Se2Mo5O21]& sdot;2 & sdot;6H2O compound was tested for its biological activity. This selenomolybdate displayed a significant inhibitory effect on the growth of human ovarian cancer cells A2780, with an IC50 value of 4.05 +/- 0.55 mu M, being thus the first Strandberg-type polyoxometalate to show a significant anticancer activity
Chemical composition and biological activities of volatile fractions from three Tunisian cultivars of olive leaves
The chemical composition, antibacterial, and antifungal activities of the volatile fractions from fresh and dried leaves of three Olea europaea L. cultivars from Tunisia (Neb jemel, Chemchali and Chemlali) have been studied. The volatile components were obtained via hydrodistillation and analyzed by GC–MS. The major constituents were (E)-3-hexenol, 3-ethenylpyridine, (E)-β-damascenone and phenylethyl alcohol, but their percentages varied according to the treatment of the leaves. Antioxidant activities were determined applying DPPH and ABTS+ radical-scavenging assays. In general, antioxidant activity of the volatile fraction obtained from fresh leaves was superior to that obtained from dried leaves. The antibacterial and antifungal activities of the volatile fractions from fresh and dried leaves were evaluated against four bacterial and four fungal strains. The volatile fractions showed significant antibacterial and antifungal effects. However, some differences were observed in the response for several microorganisms, because of the variability of the composition. This work gives further knowledge for extensive development of this medicinal plan
Influence of two maturation stages and three irrigation regimes on Chetoui olive oil quality
The effects of three irrigation managements (50% evapotranspiration [ETc], 75% ETc and 100% ETc) and two-maturation degrees (maturation I and maturation II) on the quality on Chétoui olive oil were evaluated. The following parameters were monitored: Pomological parameters, free fatty acids, peroxide value, total phenols, bitterness intensity, oxidative stability, fatty acid composition and aromatic profiles. After the irrigation period, the virgin olive oil exhibited some modifications, mainly in terms of fatty acids composition and volatiles. The amount of oil in the fruit seems not to be influenced by the irrigation management. To obtain the best quality and to use the minimum amount of water, the best irrigation level was 75% ET
Effects of irrigation regimes on fatty acid composition, antioxidant and antifungal properties of volatiles from fruits of Koroneiki cultivar drown under Tunisian conditions
The olive tree is generally grown under rain-fed conditions. However, since the yield response to irrigation is great, even with low amounts of water, there is increasing interest in irrigated agriculture. The main goal of this study was, therefore, to investigate the effect of irrigation regimes on olive (Olea europaea L., cv. Koroneiki) obtained from an intensively-managed orchard in a semi-arid area with a Mediterranean climate in Tunisia. Different irrigation treatments 50% ETc, 75% ETc and 100% ETc were applied to the olive orchard. Accordingly, the effects of three irrigation regimes on volatile compounds, fatty acid composition and biological activities of Koroneiki cultivar were studied. The total profile of the volatile constituents of all samples revealed the predominance of 3-ethenylpyridine (from 14.9-19.6%), phenylethyl alcool (from 7.8-19.2%) and benzaldehyde (from 9.0 to 13.8%). During watering level treatments studied, the major fatty acids were oleic, palmitic and linoleic. Antioxidant activity of the fresh fruit volatiles cultivated at a watering level of 100% ETc was higher than that obtained under 50 and 75% Etc. The results of antifungal activity showed that the fruits volatiles of the three irrigation treatments had varying degrees of growth inhibition against the microorganisms teste
Irrigation regimes and growing area effects on Chetoui olive oil quality
The effects of both the irrigation regimes (50% evapotranspiration [ETc], 75% ETc and 100% ETc) and the growing area on the quality of Chétoui virgin olive oil obtained from an intensively managed orchard in a semi-arid and arid area with a Mediterranean climate in Tunisia were evaluated. The quality, determined using the usual parameters for virgin olive oils (acidity and peroxide value), was slightly affected by irrigation in the north, and more significatively in the south. Irrigation positively affected fruit weight (86.1% of variability) in all cases. Growing area exhibited amore important effect on the fatty acid profile (96.3% of variability) than the irrigation management (1.8% of variability).Total phenols and bitterness intensity strongly differed: the different irrigation regimes applied in the north had no effect on the bitterness of Chétoui virgin olive oils, whereas the same water management applied in the south caused a marked decrease in both bitterness category and total phenols.Aroma compounds exhibited different behavior according to growing area and irrigation managemen
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