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The development of adsorbents for air pollutant remediation and effective monitoring is of interest. Then, the effect of the APTES functionalization ratio on the impact of the adsorption and detection of SO2 molecules was evaluated. The higher APTES functionalization material (SBA-15_6.1APTES) shows a high uptake of 1.15 mmol g−1 at 0.001 bar and 298 K. Fluorescence, time-resolved photoluminescence, and quantum yield experiments revealed a turn-on effect specifically for SO2 molecules, indicating high selectivity, suggesting host-to-guest energy transfer. Attractively, XPS measurement provided an understanding of the mechanism, suggesting hydrogen bonding and dipole–dipole interactions as the main interactions between SO2 molecules and SBA-15_6.1APTES. DFT calculations were performed to confirm these interactions. Furthermore, this study highlights the application of SBA-15 materials with different amino modifications for SO2 treatment and provides insight into the interaction mechanism using experimental techniques. [ABSTRACT FROM AUTHOR]

An Ugi–Zhu three-component reaction (UZ-3CR) coupled in a one-pot manner to a cascade process (N-acylation/aza Diels–Alder cycloaddition/decarboxylation/dehydration) was performed to synthesize a series of pyrrolo[3,4-b]pyridin-5-ones in 20% to 92% overall yields using ytterbium triflate as a catalyst, toluene as a solvent, and microwaves as a heat source. The synthesized molecules were evaluated in vitro against breast cancer cell lines MDA-MB-231 and MCF-7, finding that compound 1f, at a concentration of 6.25 μM, exhibited a potential cytotoxic effect. Then, to understand the interactions between synthesized compounds and the main proteins related to the cancer cell lines, docking studies were performed on the serine/threonine kinase 1 (AKT1) and Orexetine type 2 receptor (Ox2R), finding moderate to strong binding energies, which matched accurately with the in vitro results. Additionally, molecular dynamics were performed between proteins related to the studied cell lines and the three best ligands. [ABSTRACT FROM AUTHOR]

The search for innovative mitigation solutions that can be adopted in urban areas to efficiently reduce the effects of induced vibrations by increasing numbers of vehicles has motivated a significant number of researchers from different fields. An interesting concept seems to be the use of buried elastic inclusions, periodically arranged parallel to the ground surface, applying sonic crystal inspired technologies and bandgap filtering on adequate frequency ranges. In previous works, preliminary numerical results have shown the influence of the presence of multiple elastic heterogeneities on the attenuation of the vibration fields in receivers located on the opposite side from the traffic vibration source. Following this concept, a 2.5D numerical model has been implemented, based on the Finite Element Method (FEM) and on the use of a numerical absorbing layer. The effects on the vibration levels provided by a set of periodic elastic inclusions inserted in the host propagation medium are parametrically analysed. In fact, frequency domain results, obtained when modelling different configurations of the periodic structure and host soil, are used to assess the efficiency of these arrays as a mitigation measure.

A mídia angolana funciona como campo de exclusões simbólicas e socioeconômicas, mas também se posiciona como expressão da memória e como espaço de ressignificação da experiência coletiva e de legitimação da angolanidade. A partir da sistematização dos resultados alcançados na primeira Tese de Doutorado sobre Jornalismo em Angola realizada no Brasil na área da Comunicação, o artigo propõe uma reflexão crítica sobre o papel político e cultural da imprensa naquele País, refletindo sobre a sua história e buscando superar concepções simplificadas do fluxo discursivo midiático no mundo globalizado.

The development of adsorbents for air pollutant remediation and effective monitoring is of interest. Then, the effect of the APTES functionalization ratio on the impact of the adsorption and detection of SO 2 molecules was evaluated. The higher APTES functionalization material (SBA-15_6.1APTES) shows a high uptake of 1.15 mmol g -1 at 0.001 bar and 298 K. Fluorescence, time-resolved photoluminescence, and quantum yield experiments revealed a turn-on effect specifically for SO 2 molecules, indicating high selectivity, suggesting host-to-guest energy transfer. Attractively, XPS measurement provided an understanding of the mechanism, suggesting hydrogen bonding and dipole-dipole interactions as the main interactions between SO 2 molecules and SBA-15_6.1APTES. DFT calculations were performed to confirm these interactions. Furthermore, this study highlights the application of SBA-15 materials with different amino modifications for SO 2 treatment and provides insight into the interaction mechanism using experimental techniques.

An Ugi-Zhu three-component reaction (UZ-3CR) coupled in one pot manner to a cascade process ( N -acylation/aza Diels-Alder cycloaddition/decarboxylation/dehydration) was performed to synthesize a series of bis-furyl-pyrrolo[3,4- b ]pyridin-5-ones in 45 to 82% overall yields using ytterbium triflate as a catalyst, toluene as a solvent, and microwaves as a heat source. The synthesized molecules were evaluated in vitro against human SARS-CoV-2 through a time-of-addition approach, finding that compound 1e, at a concentration of 10.0 μM, exhibited a significant reduction at the initial infection stages, thus showing prophylactic potential. On the other hand, it was found that compound 1d, at the same concentration, was significantly active when applied post-infection, thus exhibiting a therapeutic profile. Moreover, compound 1f showed both, prophylactic and therapeutic activity. Then, to understand interactions between synthesized compounds and the main proteins related to the virus, docking studies were performed on spike-glycoprotein, main-protease, and Nsp3 protein, finding moderate to strong binding energies, matching accurately with the in vitro results. Additionally, a pharmacophore model was computed behind further rational drug design., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

Digital image correlation (DIC) is an optical technique commonly used for measuring displacement fields by tracking artificially applied random speckle patterns, which can sometimes be a problem for tracking small-scale displacements. DIC is particularly useful for tracking the crack mouth opening displacement (CMOD) of a notched metallic specimen subjected to three-point bending for fracture toughness determination because the edges of the notch provide the required textural features for DIC without the need for speckle patterns. This simplifies the set-up process as the specimen and stage geometries do not need to account for the placement of a strain gauge. To enhance the accuracy of DIC, this study then successfully downscaled a photogrammetry technique commonly used to track crack propagation in large scale concrete tests so that the pixel coordinates of the captured images can be automatically related to their real-world coordinates, allowing for small scale displacements to be accurately tracked.