Infrared and ultraviolet–visible spectroscopic studies of silica, [(Cp)2ZrCl2] and trimethylaluminum interactions

Infrared and UV–vis studies of metallocene immobilization on silica are reported here. The results have indicated changes in the Zr coordination sphere of metallocene depending on the immobilization route used. The reaction of [(Cp)₂ZrCl₂] with silica formed [(Cp)₂ZrCl]⁺[SiO]⁻ species. The same metallocene, reacting with TMA modified silica, formed monomethylated and dimethylated species by the substitution of chloro for methyl ligands, stabilized on the surface by interaction with “MAO-like” species (methylaluminoxane, MAO). These monomethylated and dimethylated cationic zirconium species are the active centers for the polymerization reaction. Different order of TMA addition in the silica modification step generated surface species of a similar nature, differing in their relative quantities. The highest amount of these active species was obtained when the support was added to the TMA solution rather than adding the TMA solution to the silica support. This was the most significant parameter affecting catalytic activity in ethylene polymerization.     

Thermal dehydrochlorination of pure PVC polymer: Part I—thermal degradation kinetics by thermogravimetric analysis

Thermal degradation of PVC occurs in two stages, with each stage subdivided into two substages. The first refers to the dehydrochlorination, where hydrochloric acid is formed, and giving polyene structures. Hitherto, the degradation mechanism and action of hydrochloric acid as a catalyst during the dehydrochlorination stage are poorly known. Recently, the importance of the tacticity has gained attention for its influence on the dehydrochlorination mechanism. The present work focused on the dehydrochlorination stage, studying the molecular structure by FTIR analysis and the kinetic parameters by TGA analysis in Nitrogen atmosphere, based on three mathematical methods: Friedman, Kissinger, and Flynn-Wall-Ozawa. The sample was a pure homopolymer obtained by suspension polymerization. The dehydrochlorination kinetics follows a first order reaction model and occurs by nucleation and growth. The dehydrochlorination begins with the loss of very labile chlorine atoms present in defective and isotactic molecular segments. The formed HCl acts as a catalyst in the degradation. Following 40% conversion, a drop in Ea is observed. After that, chlorine atoms present in syndiotactic and atactic sequences, are released and, added to the large number of polyene chain sequences, and an increase in Ea is observed up to 60% conversion, where the dehydrochlorination stage is concluded.     

A synergistic model-driven approach for persistence modeling with UML

The Model Driven Development (MDD) approach proposes that models (and model-to-model transformations) play the main role on system development. However, there is not a consensual notation to model persistence based upon object-relational mapping frameworks: while UML lacks specific resources for persistence modeling, the entity-relationship model does not make reference to the dynamic concepts existing in UML.This paper proposes MD-JPA, a UML profile for persistence modeling based on the well-known Java Persistence API 2 (JPA) standard for object-relational mapping, pursuing the modeling of transient and persistent elements in a more coherent and synergistic way. This paper describes the main characteristics of MD-JPA as well as the way that models that adopt such profile can them be used to generate a Java implementation by the application of the proposed model transformations on a MDD approach. Finally, an open source tool was developed to make the results of this work available to the community.     

Proteomic Analysis Identifies Molecular Players and Biological Processes Specific to SARS-CoV-2 Exposure in Endothelial Cells

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been responsible for the severe pandemic of acute respiratory disease, coronavirus disease 2019 (COVID-19), experienced in the 21st century. The clinical manifestations range from mild symptoms to abnormal blood coagulation and severe respiratory failure. In severe cases, COVID-19 manifests as a thromboinflammatory disease. Damage to the vascular compartment caused by SARS-CoV-2 has been linked to thrombosis, triggered by an enhanced immune response. The molecular mechanisms underlying endothelial activation have not been fully elucidated. We aimed to identify the proteins correlated to the molecular response of human umbilical vein endothelial cells (HUVECs) after exposure to SARS-CoV-2, which might help to unravel the molecular mechanisms of endothelium activation in COVID-19. In this direction, we exposed HUVECs to SARS-CoV-2 and analyzed the expression of specific cellular receptors, and changes in the proteome of HUVECs at different time points. We identified that HUVECs exhibit non-productive infection without cytopathic effects, in addition to the lack of expression of specific cell receptors known to be essential for SARS-CoV-2 entry into cells. We highlighted the enrichment of the protein SUMOylation pathway and the increase in SUMO2, which was confirmed by orthogonal assays. In conclusion, proteomic analysis revealed that the exposure to SARS-CoV-2 induced oxidative stress and changes in protein abundance and pathways enrichment that resembled endothelial dysfunction.     

Characterization of Microencapsulated Rosemary Essential Oil and Its Antimicrobial Effect on Fresh Dough

This study aimed to characterize rosemary essential oil particles obtained by spray-drying and to evaluate their antimicrobial activity. Measurements of mycelial growth of Penicillium and Aspergillus fungi, isolated from fresh dough, were made applying oil concentrations of 1.0, 5.0, 10.0, 20.0, and 50.0 μL/mL. Fungi and yeast counts in the fresh dough submitted to the control (no oil), pure oil, and microencapsulated oil treatments were also conducted. The microcapsules showed 50 % oil retention after drying, and the major oil components identified were 1,8-cineole (29.0 %), camphor (26.6 %), and α-pinene (10.6 %). The analysis of the particles revealed surfaces without fissures, with a mean particle size of 12.2 μm and presenting an amorphous structure. The growth inhibiting effect of Penicillium sp. fungus, compared to the control, was verified at concentrations of 1.0, 5.0, and 10.0 μL/mL rosemary essential oil, which did not differ among them. For Aspergillus sp., the application of 10.0 μL/mL oil provided greater inhibition compared to 1.0 and 5.0 μL/mL. Complete inhibition occurred with the application of 50.0 μL/mL for both fungal genera tested. At 8 days of dough storage at 25 °C, a decrease of at least 0.7 and 1.5 log cycles of fungal growth was observed in the dough with pure oil and that with microencapsulated oil, respectively, relative to the control. The microencapsulation process retained the antimicrobial property of rosemary essential oil and provided further extension of this activity over time when applied to fresh dough.     

Spray Drying of Green Corn Pulp

Maize (Zea mays) is a cereal grown in Brazil, and its availability is limited to the harvest season. An alternative processing route is based on the production of green corn powder, which has a longer shelf-life and increased versatility. This study aimed to evaluate the influence of drying conditions on the physical characteristics, size, and morphology of green corn powder. Drying experiments were performed on a spray dryer according to a central composite rotational design to evaluate inlet air temperature, feed flow rate, and pulp concentration. The yield of dried pulp corn had an average value of 36.19%. The following mean values for the physical properties of the powder were measured: solubility of 94.37 g/100 g, wettability of 128.05 seconds, moisture content of 1.97%, water activity of 0.13, density of 0.79 g/mL, and a particle diameter of 31.02 µm. The powder was also yellow with less intensity, and the particle surface was smooth at higher temperatures and had a tendency to form agglomerates. The estimated optimal conditions for spray drying were 48% (w/w) pulp concentration, 172°C inlet air temperature, and feed flow rate of 0.56 L/h.     

Active application of primer acid on acid‐treated enamel: Influence on the bond effectiveness of self‐etch adhesives systems

Aim: Evaluate the composite‐to‐enamel bond after passive or active application of self‐etching primer systems on polished or pre‐etched enamel with phosphoric acid. Materials and Methods: Two self‐etch adhesives systems (SEAS) were used: Clearfil SE Bond and Easy Bond. Third human molars were divided into 8 groups (N = 10). The crown of each tooth was sectioned into halves and the mesial/distal surfaces were used. The adhesives were actively or passively applied on enamel with or without prior phosphoric‐acid etching. Resin composite cylinders were built after adhesive application. After stored in relative humidity for 24 hr/37°C the specimens were subjected to microshear test in universal testing a machine at a crosshead speed of 0.5 mm/minute. The results were analyzed with three‐way ANOVA and the Tukey test. The enamel‐etching pattern was evaluated under SEM. Results: The 2‐step SEAS system presented significantly higher adhesive bond strength means (47.37 MPa) than the 1‐step (36.87 MPa). A poor enamel‐ etching pattern was observed in active mode showing irregular and short resin tags, however there was not compromised the bond strength. Conclusion: Active or passive application produced similar values of bond strength to enamel regardless of enamel pretreatment and type of SEAS.     

An Automated Investing Method for Stock Market Based on Multiobjective Genetic Programming

Stock market automated investing is an area of strong interest for the academia, casual, and professional investors. In addition to conventional market methods, various sophisticated techniques have been employed to deal with such a problem, such as ARCH/GARCH predictors, artificial neural networks, fuzzy logic, etc. A computational system that combines a conventional market method (technical analysis), genetic programming, and multiobjective optimization is proposed in this work. This system was tested in six historical time series of representative assets from Brazil stock exchange market (BOVESPA). The proposed method led to profits considerably higher than the variation of the assets in the period. The financial return was positive even in situations in which the share lost market value.