Publications

Abstract <jats:p>Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes is a series of editorials which is published on a biannual basis by the Editorial Board of the Medicinal Chemistry section of the journal Molecules [...]</jats:p>

Abstract The goal of this research was to evaluate the procedures of the Discursive Textual Analysis implemented in a handcrafted manner or assisted by the IRAMUTEQ software in order to identify analytical convergences and/or divergences. The theme was the expectations of young students from military colleges in Rio Grande do Sul (Brazil). Participants were High School students (n = 7). The data collection instrument was the semi-structured interview. The data analysis method was the Discursive Textual Analysis, both in a handcrafted manner and assisted by the IRAMUTEQ software. The main result was the convergence of 62% between both ways to generate categories. The convergences and divergences between the procedures of the Discursive Textual Analysis method presented satisfactory parameters for the context of the research and the interpretative assumptions of qualitative research.

Abstract The structure of the title quinoline carboxamide derivative, C26H25N3O, is described. The quinoline moiety is not planar as a result of a slight puckering of the pyridine ring. The secondary amine has a slightly pyramidal geometry, certainly not planar. Both intra- and intermolecular hydrogen bonds are present. Hirshfeld surface analysis and lattice energies were used to investigate the intermolecular interactions.

Abstract A study on the Pb(II) imprinting performed within mesoporous sulphated biopolymer/siloxane composites, prepared in media containing deep eutectic solvent (DES), is described. In general, the process of imprinting resulted in greatly increased surface areas relatively to the corresponding nonimprinted composites [up to fivefold (from 76 m(2) g(-1) to 360 m(2) g(-1)) for fucoidan (Fuc) and up to twofold (from 208 m(2) g(-1) to 351 m(2) g(-1)) for chondroitin sulfate (CS) composites], the diminishing of mean pore size (from 3.3-4.6 nm to 2.9-3.4), and higher biopolymer contents (from mass fractions of 0.42-0.52 to 0.46-0.68). The sorption features depended a great deal on the biopolymer/DES combination. The best CS composite, allowed for 12% capacity and 20% binding strength, as well as Pb(II)/Cd(II) selectivity enhancements. The largest of the capacities was obtained with the imprinted Fuc/DES-E composite, 86 mg g(-1), a 10% increase. Concerning the selectivity [Pb(II) versus Cd(II)], there was a significant increase for the CS composites (from 1.0-1.1 (alpha(qmax))/1.1-1.2 (alpha(K)) to 1.3-1.4 (alpha(qmax))/1.3-1.6 (alpha(K))]. In particular, the DES-E CIC presented high selectivity factors (alpha(qmax) 3.0/alpha(K) 3.2) in line with those of the microporous version (alpha(qmax) 2.0/alpha(K) 3.3) but showing a significant increase in terms of the alpha(qmax) selectivity. (c) 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 137, 48842.

Abstract The air-ionic liquid interface for a series of ionic liquids involving imidazolium cations [C(n)mim] with different alkyl chain lengths (n = 2, 4, 6, 8, 10, and 12) and the same [NTf2] imide anion has been studied by polarization-resolved second harmonic generation (SHG). An increase as a function of the alkyl chain length of the orientational parameter reveals the increasing ordering of the air-pure ionic liquid interfaces although it is not possible to disentangle the change in mean tilt angle from a change in the tilt angle probability distribution width. Besides, the study of the air-mixed ([C(12)mim])(x)([C(2)mim])(1-x)[NTf2] ionic liquid interface clearly demonstrates the interfacial nonideality of the mixed ionic liquids. The long alkyl chain cation perturbs the interface as seen from the orientational parameter and displaces the short alkyl chain one for bulk mixture contents as low as 10%. At higher long alkyl chain cation bulk mixture contents, the interface behaves close to a pure long alkyl chain ionic liquid.

Abstract The study of the phase behaviour of binary mixtures of fatty acid methyl esters (FAME) and alkanes are here studied to understand the behaviour of the mineral diesel/biodiesel blends. Six binary mixtures of the most common saturated methyl esters (methyl stearate or methyl palmitate) with a saturated alkane (hexadecane, octadecane or eicosane) were evaluated by differential scanning calorimetry (DSC), X-ray diffraction (XRD) and optical microscopy. The binary mixtures studied show a more complex phase behaviour than previously reported, which it is shown to be dependent of the size difference between the alkyl chain length of the esters and the alkanes. It was found that in mixtures with equal alkyl chain length a co-crystal is formed, and when the alkane chain length is larger than in the FAME by two methylene groups the formation of a solid-solution increasing significantly the solid phase stability is observed. The results and conclusions derived from the phase behaviour of this set of binary mixtures, between alkanes and methyl esters, can be used as a model for the interpretation of the cloud and pour points increase in biodiesel blends (in special the ones with a rich fraction of methyl palmitate or methyl stearate when combined with mineral diesel with high content of octadecane or eicosane respectively).

Abstract This work seeks to analyze the thermal comfort of the occupants in a large building of Commerce and Services, integrating measures of assessment and energy efficiency promotion. The building is still in the construction phase and at its conclusion, will correspond to a supermarket located in the Central region of Portugal. For the evaluation of thermal comfort, Fanger's methodology was used, where the Predicted Mean Vote (PMV) and Predicted Percentage of Dissatisfied (PPD) were calculated based on a detailed analysis of the environmental variables. These are essential to obtain, namely, mean air velocity, mean radiant temperature, mean air temperature and relative humidity. The other crucial variables are the metabolic rate and the thermal clothing resistance. The simulations necessary for the thermal comfort assessment were performed in ANSYS Fluent, in order to minimize the energy consumption in the cold thermal zone of the building, the sales area with frozen and chilled food, by means of reducing the inflow of air, without compromising thermal Comfort. The final results showed that the reduction of the amount of air to be inflated did not compromise the thermal comfort of the occupants. The Computational Fluid Dynamics (CFD) methodology allowed the creation of comfort maps, albeit for a single zone due to computational limitations. According to the results, the most comfortable zone was located right below the air insufflation with the summer being a more comfortable season. In winter, the main problem detected was the cold located near the floor.

Abstract On 3rd and 4th February, at Pavilhao do Conhecimento (Lisbon, Portugal), Ciencia Viva organized the 2nd meeting of Mediation of Knowledge and Scientific Culture. This edition reunited politicians, teachers, science communicators and researchers to discuss culture, science communication and museums. The organization promoted workshops and invited three keynote speakers: Abdulaziz Alhegelan, Brian Trench and Ngaire Blankenberg who led discussions around cultural differences, science communication processes such as evaluation or impact, and how museums need to change to became more neutral.