Polymorphism in Gd2Ge2O7 ceramics: Structural,vibrational, and optical features

In this work, Gd₂Ge₂O₇ polymorphs were obtained by solid-state reactions at 1100–1300 °C. Structural and vibrational features were investigated by X-ray diffraction and Raman spectroscopy. For the triclinic (space group P1) polymorph, all the predicted phonons were discerned in perfect agreement with the group theory calculations, while for the tetragonal polymorph (space group P4₁2₁2), 53 bands of the 81 predicted modes could be identified and characterized. The Gd³⁺ 4f-4f electronic transitions were investigated by diffuse reflectance spectroscopy in the range 200–340 nm. By applying the Kubelka-Munk function, it was possible to determine the bandgap values for all ceramics studied. The tetragonal polymorph exhibited higher bandgap values (5.88 eV) than the triclinic one (5.59 eV), which are both more energetic than other pyrochlore polymorphs reported in the literature. The results indicate that the presence of polymorphism in Gd₂Ge₂O₇ ceramics can be used to produce tailor-made materials since their crystal structures have a strong influence on their optical properties. Consequently, these properties could be used to tuning the optical properties of Gd-containing materials to sensitize and transfer energy to other luminescent lanthanide ions, aiming for innovative applications.     

Composition-dependent xBa(Zr0.2Ti0.8)O3-(1-x)(Ba0.7Ca0.3)TiO3 bulk ceramics for high energy storage applications

This work reports the composition dependent microstructure, dielectric, ferroelectric and energy storage properties, and the phase transitions sequence of lead free xBa(Zr_0.2Ti_0.8)O₃-(1-x)(Ba_0.7Ca_0.3)TiO₃ [xBZT-(1-x)BCT] ceramics, with x?=?0.4, 0.5 and 0.6, prepared by solid state reaction method. The XRD and Raman scattering results confirm the coexistence of rhombohedral and tetragonal phases at room temperature (RT). The temperature dependence of Raman scattering spectra, dielectric permittivity and polarization points a first phase transition from ferroelectric rhombohedral phase to ferroelectric tetragonal phase at a temperature (T_R-T) of 40?°C and a second phase transition from ferroelectric tetragonal phase - paraelectric pseudocubic phase at a temperature (T_T-C) of 110?°C. The dielectric analysis suggests that the phase transition at T_T-C is of diffusive type and the BZT-BCT ceramics are a relaxor type ferroelectric materials. The composition induced variation in the temperature dependence of dielectric losses was correlated with full width half maxima (FWHM) of A₁, E(LO) Raman mode. The saturation polarization (P_s) ≈8.3?μC/cm² and coercive fields ≈2.9?kV/cm were found to be optimum at composition x?=?0.6 and is attributed to grain size effect. It is also shown that BZT-BCT ceramics exhibit a fatigue free response up to 10⁵ cycles. The effect of a.c. electric field amplitude and temperature on energy storage density and storage efficiency is also discussed. The presence of high T_T-C (110?°C), a high dielectric constant (ε_r ≈?12,285) with low dielectric loss (0.03), good polarization (P_s ≈?8.3?μC/cm²) and large recoverable energy density (W?=?121?mJ/cm³) with an energy storage efficiency (η) of 70% at an electric field of 25?kV/cm in 0.6BZT-0.4BCT ceramics make them suitable candidates for energy storage capacitor applications.     

Azaaurones as Potent Antimycobacterial Agents Active against MDR- and XDR-TB

Herein we report the screening of a small library of aurones and their isosteric counterparts, azaaurones and N-acetylazaaurones, against Mycobacterium tuberculosis. Aurones were found to be inactive at 20 μm , whereas azaaurones and N-acetylazaaurones emerged as the most potent compounds, with nine derivatives displaying MIC₉₉ values ranging from 0.4 to 2.0 μm . In addition, several N-acetylazaaurones were found to be active against multidrug-resistant (MDR) and extensively drug-resistant (XDR) clinical M. tuberculosis isolates. The antimycobacterial mechanism of action of these compounds remains to be determined; however, a preliminary mechanistic study confirmed that they do not inhibit the mycobacterial cytochrome bc1 complex. Additionally, microsomal metabolic stability and metabolite identification studies revealed that N-acetylazaaurones are deacetylated to their azaaurone counterparts. Overall, these results demonstrate that azaaurones and their N-acetyl counterparts represent a new entry in the toolbox of chemotypes capable of inhibiting M. tuberculosis growth.     

Biodegradation of poly(lactic acid)—cassava bagasse composites produced by injection molding

Neat poly (lactic acid) (PLA) and PLA/cassava bagasse (CB) composites were used to produce seedling tubes by extrusion and injection molding. The tubes were buried in simulated soil, and their biodegradation was investigated by weight loss, scanning electron microscopy (SEM), and Fourier transform infrared spectroscopy (FTIR). After 180 days, the composites' biodegradation was higher than neat PLA material, and the higher the CB content, the higher the biodegradation, which caused fissures and voids in the material. The biodegradation of PLA/CB composites increased the phosphorus content in the soil after 180 days. Composites of PLA with CB, an abundant agro-industrial residue in Brazil, are promising because they can reduce the environmental impact due to CB's proper destination, and the composites' costs and biodegradation are faster than pure PLA material. Both the faster biodegradation of the tube and the higher P content are advantageous for seedling tubes.     

Crack-free caustic magnesia-bonded refractory castables

A growing interest in designing high-alumina MgO-bonded refractory castables has been identified in recent years due to the magnesia ability to react: (i) with water at the initial processing stages of these materials (inducing the precipitation of brucite phase) or (ii) with alumina, giving rise to in situ MgAl₂O₄ generation at high temperatures. Nevertheless, despite the great potential of caustic magnesia to be used as a binder in such systems due to its high reactivity, it is still a challenge to control the hydration reaction rate of this oxide and the negative effects derived from the expansive feature of Mg(OH)₂ formation. Thus, this work evaluated the incorporation of different contents of aluminum hydroxyl lactate (AHL) into caustic magnesia-bonded castables, aiming to control the brucite precipitation during the curing and drying steps of the prepared samples, resulting in crack-free refractories. The designed compositions were characterized via flowability, setting behavior, X-ray diffraction, cold flexural strength, porosity, permeability and thermogravimetric measurements. According to the results, instead of Mg(OH)₂, hydrotalcite-like phases [Mg₆Al₂(OH)₁₆(OH)₂.4.5H₂O and Mg₆Al₂(OH)₁₆(CO₃)·4H₂O] were the main hydrated phases identified in the AHL-containing compositions. The addition of 1.0 wt% of aluminum hydroxyl lactate to the designed castable proved to be, so far, the best option for this magnesia source, resulting in the development of a crack-free refractory with enhanced properties and greater spalling resistance under heating.     

Touch sensor and photovoltaic characteristics of CuSbS2 thin films

Spin-coated chalcostibite CuSbS₂ thin films (≈500 nm thick) were fabricated and the influence of the drying temperature on the structural, morphological, optical and thermoelectric properties of the films was investigated. Crystalline phase-pure chalcostibite has been obtained for the films dried at 180 °C and 210 °C, while below 180 °C these films are partially amorphous. Surprisingly, at drying temperature of 240 °C, a Cu_xS secondary phase appeared. The increase of the drying temperature leads to the increase of the particle size and the decrease of the optical band gap, which is interesting for optoelectronic applications. The highest power factor value was achieved for the film dried at 210 °C, due to the inexistence of secondary phases, which allowed realizing a stable thermoelectric touch sensor with a V_signal/_noise of 5. In addition, this film was tested as a photovoltaic (PV) device and a power conversion efficiency (PCE) of 0.030% with an open-circuit voltage (V_OC) of 0.36 V, a short-circuit current density (J_SC) of 0.278 mAcm^?2 and a fill factor (FF) of 0.27 were obtained. Therefore, this work evidences a pathway toward developing bi-functional devices with simultaneously thermoelectric touch sensor and photovoltaic functions.     

A theoretical and experimental study of phosphate ester inhibitors for AISI 1018 in carbon dioxide-saturated 3.5 wt% NaCl solution

Phosphate ester was investigated as a corrosion inhibitor for AISI 1018 carbon steel in carbon dioxide-saturated chloride solutions at different temperatures and pressures. The corrosion tests were realized by electrochemical techniques, weight loss measurements, bubble tests, and a high-pressure/high-temperature autoclave system. The corrosion tests demonstrated that the investigated molecule is an excellent corrosion inhibitor. The inhibiting effect is even bigger at high pressure and temperature than at atmospheric pressure and room temperature. The thermodynamic parameters were calculated and determined to obey the Langmuir isotherm. Polarization studies revealed that the evaluated inhibitor is a mixed type.     

A computational literature review of football performance analysis through probabilistic topic modeling

This research aims to illustrate the potential use of concepts, techniques, and mining process tools to improve the systematic review process. Thus, a review was performed on two online databases (Scopus and ISI Web of Science) from 2012 to 2019. A total of 9649 studies were identified, which were analyzed using probabilistic topic modeling procedures within a machine learning approach. The Latent Dirichlet Allocation method, chosen for modeling, required the following stages: 1) data cleansing, and 2) data modeling into topics for coherence and perplexity analysis. All research was conducted according to the standards of the Preferred Reporting Items for Systematic Reviews and Meta-Analyses in a fully computerized way. The computational literature review is an integral part of a broader literature review process. The results presented met three criteria: (1) literature review for a research area, (2) analysis and classification of journals, and (3) analysis and classification of academic and individual research teams. The contribution of the article is to demonstrate how the publication network is formed in this particular field of research, and how the content of abstracts can be automatically analyzed to provide a set of research topics for quick understanding and application in future projects.