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In this work, we investigate theoretically and experimentally second harmonic generation (SHG) in three pyrazoline compounds, being two derivatives of dibenzylideneacetone (DBA) (C23H20N2 and C25H24N2O2) and one derivative of chalcone (C21H18N2). The compounds were synthesized after two steps employing a Claisen-Schmidt condensation followed by an addition-elimination reaction with phenylhydrazine. All compounds were characterized using NMR, FT-IR, UV-Vis, and XRD. We calculated the first-order hyperpolarizabilities of these molecules using program packages based on the time-dependent Hartree-Fock (TDHF) and density functional theory (DFT). SHG was characterized by Kurtz and Perry’s powder method. We observed that these organic crystals present SHG efficiencies up to 5 times larger than the KDP, and we associated these values to their molecular structure and crystalline arrangements. The values obtained experimentally and theoretically evidence that these compounds have good potential for application in electronic devices based on second-order nonlinear responses.

The variable configuration of Raman spectroscopic platforms is one of the major obstacles in establishing Raman spectroscopy as a valuable physicochemical method within real-world scenarios such as clinical diagnostics. For such real world applications like diagnostic classification, the models should ideally be usable to predict data from different setups. Whether it is done by training a rugged model with data from many setups or by a primary-replica strategy where models are developed on a 'primary' setup and the test data are generated on 'replicate' setups, this is only possible if the Raman spectra from different setups are consistent, reproducible, and comparable. However, Raman spectra can be highly sensitive to the measurement conditions, and they change from setup to setup even if the same samples are measured. Although increasingly recognized as an issue, the dependence of the Raman spectra on the instrumental configuration is far from being fully understood and great effort is needed to address the resulting spectral variations and to correct for them. To make the severity of the situation clear, we present a round robin experiment investigating the comparability of 35 Raman spectroscopic devices with different configurations in 15 institutes within seven European countries from the COST (European Cooperation in Science and Technology) action Raman4clinics. The experiment was developed in a fashion that allows various instrumental configurations ranging from highly confocal setups to fibre-optic based systems with different excitation wavelengths. We illustrate the spectral variations caused by the instrumental configurations from the perspectives of peak shifts, intensity variations, peak widths, and noise levels. We conclude this contribution with recommendations that may help to improve the inter-laboratory studies. © 2020 American Chemical Society.

Sickle cell anemia (SCA) pathophysiology is characterized by the activation of sickle red blood cells, reticulocytes, leukocytes, platelets, and endothelial cells, and with the expression of several inflammatory molecules. Therefore, it is conceivable that variations in levels of proinflammatory cytokines may act as a signaling of differential clinical course in SCA. Here, we evaluated the clinical impact of proinflammatory cytokines interleukin 1-β (IL-1β), interleukin 6 (IL-6), and interleukin 8 (IL-8) in 79 patients with SCA, followed in a single reference center from northeastern Brazil. The main clinical/laboratory data were obtained from patient interview and medical records. The proinflammatory markers IL-1β, IL-6, and IL-8 were evaluated by using commercially available enzyme-linked immunosorbent assay kits. According to levels of the proinflammatory markers, we observed that patients who had a higher frequency of VOC per year (P = 0.0236), acute chest syndrome (P = 0.01), leg ulcers (P = 0.0001), osteonecrosis (P = 0.0006), stroke (P = 0.0486), and priapism (P = 0.0347) had higher IL-6 levels compared with patients without these clinical complications. Furthermore, increased levels of IL-8 were found in patients who presented leg ulcers (P = 0.0184). No significant difference was found for IL-1β levels (P > 0.05). In summary, the present study emphasizes the role of inflammation in SCA pathophysiology, reveals an association of IL-8 levels and leg ulcer occurrence, and indicates that IL-6 levels can be used as a useful predictor for poor outcomes in SCA.

Gestational diabetes (GD) is a condition defined as carbohydrate intolerance and hyperglycemia beginning in the second trimester of pregnancy, which overlaps with the progesterone exponential increase. Progesterone has been shown to cause pancreatic β-cell death by a mechanism dependent on the generation of reactive oxygen species and oxidative stress. Herein, we studied the effect of this hormone on the expression of 84 genes related to oxidative stress and oxidant defense in pancreatic RINm5F cell lineage. Cells were incubated with 0.1, 1.0, or 100 μM progesterone for 6 or 24 h, in the presence or absence of the vitamins E and C. Among the investigated genes, five of them had their expression increased, at least 2-fold, in two different concentrations independently of the time of incubation, or at the same concentration at the different time points, including those that encode for stearoyl-CoA desaturase 1 (Scd1), dual oxidase 1 (Duox1), glutathione peroxidase 6 (GPx6), heme oxygenase 1 (Hmox1), and heat shock protein a1a (Hspa1a). Vitamins E and C were able to increase, in progesterone-treated cells, the expression of genes with antioxidant function such as Hmox1, but decreased Scd1 expression, a gene with prooxidant function. At cytoplasmic level, progesterone positively modulated Hmox1 and Hspa1a content. These results suggest that the protein encoded by these genes might protect cells against progesterone induced-oxidative damage, opening perspectives to elucidate the molecular mechanism involved in progesterone action in GD, as well as for the development of antioxidant strategies for the prevention and treatment of this disease.

Made available in DSpace on 2021-06-25T10:16:02Z (GMT). No. of bitstreams: 0 Previous issue date: 2020-01-01 This article proposes a fully decentralized control approach, based on AC bus signaling, to integrate the operation of voltage- and current-controlled converters that exist in an isolated low-voltage microgrid, so they may be fully steered under grid-feeding, grid-supporting, and grid-forming control principles. The proposed strategy, devised by classic and modified droop-based controllers, allows control of the microgrid active power relating to the system frequency, while regulating the reactive power related to the voltage, dispensing any need for communication infrastructures. Beyond ensuring proper microgrid power balance at all times, the control strategy prioritizes energy extraction from non-dispatchable sources (i.e., photovoltaic-based systems), whereas it uses dispatchable sources (i.e., battery-based systems) to share active and reactive power proportionally to their capabilities. As a consequence of the proper and novel management of battery-based converters, battery overvoltage and overcurrent are avoided, supporting a prolonged lifespan. Simulation results considering an autonomous microgrid operating under several scenarios are presented, to demonstrate the capabilities of the proposed control scheme on steering the different topologies of converters. Graduate Program in Electrical Engineering Federal University of Minas Gerais (UFMG) Department of Electric Power Engineering Norwegian University of Science and Technology (NTNU) Group of Automation and Integrated Systems Sao Paulo State University (UNESP) Group of Automation and Integrated Systems Sao Paulo State University (UNESP)

Real-time gas classification is an essential issue and challenge in applications such as food and beverage quality control, accident prevention in industrial environments, for instance. In recent years, the Deep Learning (DL) models have shown great potential to classify and forecast data in diverse problems, even in the electronic nose (E-Nose) field. In this work, we used a Support Vector Machines (SVM) algorithm and three different DL models to validate the rapid detection approach (based on processing an early portion of raw signals and a rising window protocol) over different measurement conditions. We performed a set of trials with five different E-Nose databases that include fifteen datasets. Based on the results, we concluded that the proposed approach has a high potential, and it can be suitable to be used for E-nose technologies, reducing the necessary time for making forecasts and accelerating the response time. Because in most cases, it achieved reliable estimates using only the first 30% or fewer of measurement data (counted after the gas injection starts.) The findings suggest that the rapid detection approach generates reliable forecasting models using different classification methods. Still, SVM seems to obtain the best accuracy, right window size, and better training time., Comment: 13 pages, two figures, and two tables. This paper reports the validation of the rapid detection approach (based on processing an early portion of raw signals and a rising window protocol) for enhancing the electronic nose systems

This work proposes the conversion of glycerol into higher added value products through its pyrolysis in the presence of the catalyst [Ni(L1)]SBA-15. The catalyst, an SBA-15 silica, was anchored with Schiff base complex [Ni(L1)], L1 being a Schiff Base with diethylenetriamine. The materials were characterized by the techniques of X-ray diffraction, Fourier transform infrared (FTIR) spectromicroscopy, UV–vis absorption spectroscopy, Raman spectroscopy, N2 physisorption, and thermal analysis (TGA/DTG/DSC). The kinetic study of the thermal and thermal/catalytic pyrolysis of glycerol using the iso-conversional methods proposed by KSA (Kissinger-Akahira-Sunose) and FWO (Flynn-Wall-Ozawa). The results show a reduction of activation energy in the presence of [Ni(L1)] SBA-15 compared to SBA-15 and glycerol. The products of the pyrolysis of glycerol were produced and identified by a pyrolyzer coupled to GC/MS and TGA-FTIR. The presence of the catalyst reduced the temperature of the process and resulted in the production of a greater quantity and variety of chemical products of higher added value. This leads to the conclusion that the material has catalytic activity for the thermal degradation of glycerol. The main products obtained from the pyrolysis of glycerol were carbon dioxide, aldehyde, ketone and alcohol.

Thermogravimetry was used in order to evaluate thermal and catalytic degradation of atmospheric residue of petroleum (ATR) which is found at Brazilian refineries, after a process of atmospheric distillation. The catalyst used for the thermocatalytic degradation of ATR was the AlMCM-41 mesoporous material. The AlMCM-41 was obtained from hydrothermal method using cetyltrimethylammonium as organic template. The calcined material was characterized by chemical analysis and X-ray diffraction. The thermogravimetry analysis was carried out at temperature range of 30 to 900 °C and heating rates of 5, 10 and 20 °C min−1, under nitrogen gas. From TG, the activation energy, determined using the Ozawa–Flynn–Wall kinetic method, decreased from 288 kJ mol−1, for pure ATR, to 55 kJ mol−1, in the presence of the AlMCM-41 material, evidencing the efficiency of the mesoporous materials for the catalytic degradation of petroleum residues.

The oil sludge residue presents an aggregate of hydrocarbons, organic and inorganic impurities, and water. The microporous and mesoporous zeolites are considered promising catalysts for processing of petroleum residues generated in refining processes. The aim of this work was to study the degradation of petroleum sludge obtained from primary processing, with applications of an improved thermogravimetry system and HY zeolite, at specific temperature ranges and degradation times, in order to obtain light gases and distillate fuels. The NaY zeolite was synthesized under hydrothermal treatment of a gel containing sodium silicate, sodium aluminate, and water. The obtained solid material was filtered, dried and calcined, and then ion-exchanged with ammonium chloride and calcined in order to obtain its protonic acid form (HY). The samples’ characterization by TG/DTG, XRD, and SEM proved that the crystalline structure of the faujasite zeolite was obtained. The thermal and catalytic degradation of the petroleum sludge was performed with 1.0 g of sample containing 10% of HY zeolite in the temperatures of 100, 200, 300, 400, and 500 °C, varying the time from 0 to 60 min to each temperature, using an oven with temperature program system, adapted with a Shimadzu precision balance. The curves obtained with this system evidenced that the presence of HY zeolite improves the degradation of the residue, with decreasing of the activation energy for the processes, as determined using the Arrhenius model.

AIM The aim was to assess adolescent satisfaction with childbirth and compare it with that of adult women. METHODS An observational comparative study was conducted during the period of October 2016 and April 2017 in a public maternity hospital in Sao Paulo, Brazil. The population included 50 adolescents (14-19 years) and 51 adults (20-35 years) mothers in post-partum after a term live birth. Maternal satisfaction was assessed by the North Bristol modified Mackey Childbirth Satisfaction Rating Scale questionnaire with 18 items divided into five subscales (self, partner, baby, physician and overall) and two items on birth experience. Each item was rated on a 5-point Likert scale and a total score was calculated. The main outcome measure was a total score on questionnaire. RESULTS The mean maternal age of adolescents was 18 years (95% confidence interval [CI] 11-25) and for adults, 28.3 years (95% CI 26.1-30.7). Primiparity was more common among adolescents than adults (92% vs 43.1%, P

Concretes were prepared containing oil sludge additive to produce new materials for construction. The oil sludge and concrete have previously been characterized in terms of chemical composition of the elements present in the materials. The concrete blocks were produced with a defined amount of oily sludge of 3.0 mass% on cement/water factor. All samples were cured at room temperature and then heated at 200 °C for 3 hours and 292 °C for 2h. The surfaces of the samples were subjected to previously grinding for the compressive strength testing. These tests were conducted in a press of 2000 kN load capacity. It was found that concrete containing additive showed a positive response in all the compressive strength tests, compared to concrete without the additive

Overt stroke in adults with sickle cell anemia (SCA) continues to be a major cause of morbidity and mortality, while no evidence-based strategy for prevention has been reached so far. Although transcranial Doppler ultrasonography represents the most important tool for identifying young patients with SCA at risk of primary stroke, strategies for stroke prediction in adulthood remain challenging. Emerging data suggest that oxidative stress may exert a pivotal role in the pathogenesis of ischemic brain injury. Combining these pieces of evidences with the well-known genetic contribution to the development of stroke in SCA, we hypothesized that genetic variants related to the biology of oxidative stress could be used to identify adult patients at higher risk of stroke. Overall, 499 unrelated patients with SCA aged >18 years were genotyped for SOD2 Val16Ala (rs4880), GPX3 T-568C (rs8177404), GPX3 T-518C (rs8177406), GPX3 T-65C (rs8177412), and CAT01 C-262 T (rs1001179) polymorphisms, along with α-thalassemia status and β-globin gene haplotypes. Of these, only the SOD2 Val16Ala polymorphism was associated with stroke. SOD2 Val16Ala polymorphism was independently associated with risk of stroke (odds ratio: 1.98; 95% confidence interval [CI]: 1.18–3.32; P = .009) and with the long-term cumulative incidence of stroke (hazard ratio: 2.24, 95% CI: 1.3–3.9; P = .004). In summary, we provide evidence that oxidative stress-related genetic variants, in particular, the SOD2 Val16Ala polymorphism, may represent a simple and inexpensive alternative for identifying patients at risk of stroke.

Thin-walled drip tapes with continuous labyrinth have been used for irrigation of vegetables and other short-cycle crops, especially due to their low cost. The continuous labyrinths welded into the pipe inner wall affect the head loss along such emitting pipes. In addition, the flow cross section of thin-walled pipes may change due to the effects of the operating pressure, which also has consequences for the head loss. The objective of this work was to investigate experimentally the friction factor and the head loss on thin-walled drip tapes with continuous labyrinths operated under various pressures. Two models of commercial thin-walled drip tapes with continuous labyrinths were evaluated. Nonperforated samples were used to determine the head-loss equations. The equations were adjusted as a function of flow rate and pressure head at the pipe inlet. Alternatively, the diameter in the Darcy–Weisbach equation was adjusted as a function of the pressure head by a power-law model. The possibility of using a mean diameter in the Darcy–Weisbach equation was also analyzed. Experimental investigation indicated that the friction factor in the Darcy–Weisbach equation can be accurately described using a power-law model, like the Blasius equation, but characterized by a coefficient a=0.3442 for the Turbo Tape and a=0.3225 for the Silver Tape. The obtained values of a are larger than those generally used and available in the literature. The influence of the operating pressure on the pipe diameter can be neglected for the purpose of calculating the head loss. The two approaches, considering the variation of the diameter with the pressure head and considering an optimum average diameter for the calculation of head loss by the Darcy–Weisbach equation, produce similar results, allowing accurate prediction of head loss. Evaluating the proposed mathematical models, 95% of predictions presented relative errors of head loss smaller than 5%. For the Turbo Tape, the optimum diameter for the purpose of calculating the head loss is 16.01 mm, which is very close to the value indicated by its manufacturer (15.9 mm). For the Silver Drip, the optimum diameter is 15.71 mm, while the manufacturer gives a value of 16.22 mm, which produces considerable error in the calculation of head loss.

The use of battery energy storage systems has gained wider attention in many sectors such as: power system, automotive, aircraft, oil and gas, among many others during the recent years. However, the association of batteries in a bank without the proper control may lead to problems to the batteries such as voltage imbalance, uneven degradation and incompletely use of the whole potential of the battery bank. This paper introduces a new concept of battery charger topology, named herein as SmartBattery, which is composed of a two-stage dc/dc converter integrated upon each battery pack. This solution allows each battery unit to be charged/discharged with different current profiles, even when they are series-connected. Then, this paper proposes a coordinated control strategy to balance the battery units in different stages of degradation and/or states of charge, without the need of bypassing any storage unit. Simulation results are performed to verify the equalization among batteries in a bank with different ages or states of charge during charging and discharging processes.

Four human iPSC cell lines (one Jervell and Lange-Nielsen Syndrome, one Long QT Syndrome-type 1 and two healthy controls) were generated from peripheral blood obtained from donors belonging to the same family. CytoTune™-iPS 2.0 Sendai Reprogramming Kit (containing OCT3/4, KLF4, SOX2 and cMYC as reprogramming factors) was used to generate all cell lines. The four iPSCs have normal karyotype, express pluripotency markers as determined by RT-PCR and flow cytometry and differentiated spontaneously in vitro into cells of the three germ layers, confirming their pluripotent capacity.

Approximately 3,500 children with Sickle Cell Disease (SCD) are born in Brazil each year, but the burden of SCD morbidity is not fully characterised. A large, multi-centre cohort was established to characterise clinical outcomes in the Brazilian SCD population and create the infrastructure to perform genotype-phenotype association studies. Eligible patients were randomly selected from participating sites and recruited at routine visits. A biorepository of blood samples was created and comprehensive demographic and clinical outcome data were entered in a centralized electronic database. Peripheral blood genome-wide single nucleotide polymorphism (SNP) genotyping was performed using a customized Transfusion Medicine (TM) Array. A total of 2795 participants at six Brazilian sites were enrolled between 2013 and 2015. The cohort included slight predominance of children

Although randomized controlled trials (RCTs) are the gold standard for the assessment of clinical outcomes, long-term extension trials (LTEs) and observational cohorts may help generate evidence. Our goal was to compare the discontinuation rates of abatacept, rituximab, and tocilizumab in rheumatoid arthritis (RA) reported in different study designs. A systematic review was conducted with searches in PubMed, Scopus, and the Cochrane Library, plus a manual search, for RCTs, LTEs, and observational cohorts reporting discontinuation rates by any of three causes (all-cause, inefficacy, adverse events). Meta-analyses with sensitivity analyses and meta-regressions were conducted. Of the 111 studies included, 74 were RCTs (n = 55) or LTEs (n = 17) reporting data on abatacept (n = 33), rituximab (n = 10), and tocilizumab (n = 31) and 37 were observational cohort studies (abatacept = 11, rituximab = 8, tocilizumab = 18). The follow-up duration did not differ among the study designs. Discontinuation rates were similar among the drugs but varied among the study designs. Discontinuation rates were significantly higher in cohort studies than those in interventional studies for the three drugs. Sensitivity analyses could not identify patient characteristics associated with these differences. Meta-regression analyses demonstrated no correlation between study follow-up duration and discontinuation rates. The discontinuation rates reported for non-anti-TNF drugs varied relative to the study design in which they were investigated. Regulatory agencies, price-setting entities, and evidence-gathering researchers should consider the effect of the real-life environment in their decisions and conclusions.

The catalytic cracking of isopropylbenzene was investigaded over hybrid ZSM-12/MCM-41 and HZSM-12/MCM-48 micro-mesoporous materials, in order to verify the effect of the acid site of the accessibil...

Internet of Things (IoT) has emerged as a new paradigm that allows different objects interconnection to create new smart services and applications. In this sense, key features such as traceability, unique identification, energy efficiency, heterogeneity of devices, scalability and ubiquity, are necessary at the network structure for efficient performance of IoT applications. As a single technology, it is not capable to provide all these features, then, the integration of Wireless Sensor Networks (WSNs) and Radio Frequency Identification (RFID) arises as an important approach for these solutions. In this paper, a framework aiming to provide the network features required for IoT applications is proposed, considering the challenges that comes from the integration of these two technologies. In this framework, two components are considered, the Fuzzy Q-Algorithm and the Fuzzy System-Based Route Classifier. The former comprises a fuzzy system to enhance an anti-collision protocol for RFID, and the latter is a fuzzy system that classifies routes and assists routing protocols in applications that use WSNs and RFID. Experiments show that framework provides the following benefits: improves the performance of RFID tags identification, lowers packet loss rates, decreases the nodes energy consumption, and shows improvements in network load balancing. Moreover, these benefits provide greater energy efficiency and quality of service for IoT applications.

A new automated chemiluminescence method resorting to sequential injection analysis (SIA) was developed to rapidly determine biochemical oxygen demand (BOD). The assay is based on the redox reaction between quinone and Baker’s yeast in the presence of organic substances. The formed active oxygen species reacted with luminol, under the catalytic action of ferricyanide, and increased chemiluminescence signal. The automation of the assay ensured a precise control of the reaction conditions and enabled a reduction of more than 75-times in the reagents consumption and effluents production comparatively to BOD5. The sampling rate was widely improved with a flow rate of 8 cycles per hour. The method was applied to determine the BOD of ionic liquids (ILs) incorporating different chemical elements and deep eutectic solvents (DESs) combining choline chloride with varying hydrogen-bond donors. Differences in BOD and biodegradability were observed between tested compounds, with DESs showing, in general, higher BOD va...

In this manuscript, MCM-41 and Co-MCM-41 were synthesized to evaluate the effect of the metal incorporated in the structure of the mesoporous material used in the benzene removal in aqueous medium containing hydrogen peroxide (H 2 O 2 ). The decomposition of H 2 O 2 in the medium containing MCM-41 and Co-MCM-41 was investigated. The techniques used to characterize these materials showed satisfactory results, proving that the synthesis was effective. The decomposition of hydrogen peroxide carried out in the ultraviolet/visible molecular absorption spectrophotometer revealed that the pH of the medium and the presence of cobalt influence its decomposition. In the reaction containing benzene + Co-MCM-41 + H 2 O 2 , it was possible to confirm this information, because there was practically no decomposition at pH = 1.5, 3.0 and 5.0, whereas decomposition was considerable at pH = 7.0 and 10.0 and all H 2 O 2 was decomposed at pH = 12. Tests containing benzene + H 2 O 2 + MCM-41 resulted in a higher removal of analytes in an alkaline medium. The last catalytic tests contained benzene + Co(II) + H 2 O 2 in the aqueous reaction medium; compared to benzene + Co-MCM-41 + H 2 O 2 , it was found that the influence of Co-MCM-41 can be better viewed in pH = 10.0 and 12.0, because 82.1% of benzene was removed after 5 h.

Zinc sulfide (ZnS) was synthesized by sonochemical method and nanoparticles with crystallite size around 2 nm were obtained. PVC containing ZnS nanoparticles at concentrations of 0.10; 0.30; 0.50; 0.7 and 1.00 wt% were gamma irradiated (60Co) at room temperature in air. No appreciable decrease in PVC Viscosity-Average Molar Mass (Mv) was observed for samples containing 0.7 wt% of ZnS nanocrystals. It was demonstrated that the addition of ZnS nanocrystals imparted molecular protection to the polymer matrix while improving flexibility, by decreasing the Young Modulus of PVC films. These results suggest the use of sonochemically synthesized ZnS nanocrystals as a new additive for radiation-grade PVC materials.

The poly (vinyl chloride), PVC, undergoes changes in its physicochemical properties when it is exposed to gamma radiation. Thus, the radiolytic stabilization of PVC is one way for obtain a material with radiation resistance. In this work, we studied the coffee grounds oil as PVC radiolytic protection in two systems forms: PVC film and PVC specimen. The systems were irradiated at sterilization dose of medical devices and viscosity measurements were performed. According to viscosity assays of PVC films, there was a 67% protection in polymer matrix promoted by the oil. On the other hand, the mean viscosity molar mass (Mv) of PVC specimens increased about 13%, indicating predominance of crosslinking effect, however samples containing the oil showed no Mv significant changes. Therefore, the oil can be considered a PVC radio stabilizing substance and open a way for use of sustainable additive in PVC industry.

Made available in DSpace on 2021-06-25T11:02:15Z (GMT). No. of bitstreams: 0 Previous issue date: 2021-11-01 Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) In this work we report on the synthesis of novel α-Sb2O4 nanostructures synthesized by a gold catalyzed vapor deposition method in which metallic Sb is used as a precursor. Belts, rods and zigzag morphologies were obtained and characterized by a group of techniques which also provided data on crystalline structure and compositional aspects. Structural characterizations revealed that although the addition of gold nanoparticles plays an important role in the final growth of the nanostructures, no evidence of this element was found in the as-grown samples. In order to clarify the causes of the suppression of the VLS mechanism in these conditions, we carried out experiments in which the syntheses were interrupted in a controlled manner. Our findings revealed that at the early stages of the growth VLS mechanism is suppressed when high levels of Sb supersaturation are reached. A thick crystalline oxide layer rapidly grows at the liquid-gas interface providing preferential sites for the VS growth to take place. Low temperature photoluminescence measurements revealed a strong emission in the visible portion of electromagnetic spectra which can be associated to the presence of oxygen vacancies in these nanostructures. Department of Physics São Paulo State University (UNESP) School of Engineering, CEP 12.516-410, Guaratinguetá INP Greifswald, Felix-Hausdorff-Str.2 Departamento de Física Universidade Federal de São Carlos, São Carlos – SP PDM3A - Department of Space Engineering and Technology National Institute of Space Research (INPE), São José dos Campos Department of Physics São Paulo State University (UNESP) School of Engineering, CEP 12.516-410, Guaratinguetá CAPES: 001 FAPESP: 2015/21816-4

Infection is one of the most serious complications that can occur in wounds. Biomarkers can be used as a tool directly related to infection. So, herein current methods and new approaches for the determination of wound infection, based on biomarkers, were compared and discussed. In this review, it is highlighted the different enzymatic biomarkers related to wound infection, and how they can be used for early detection of the same. It also aims to compile the different analytical methods and describe the potential of each one. The global and critical analysis research made it possible to perceive that of all the biomarkers studied, the enzymes demonstrated great potential, through the comparison with all biomarkers, since they allow the detection of infection in very early stages, and so a previous diagnostic and treatment.

The hydrothermal synthesis of aluminophosphate molecular sieve type AlPO4-11 was processed from chemicals containing psueudobohemite, 85% phosphoric acid, water, and di-isopropylamine as templating agent. The crystallization of the samples was studied by taking samples in times from 2 to 74 h. The obtained white powder products were characterized by X-ray diffraction patterns (XRD), Fourier transform infrared spectroscopy (FT-IR), thermogravimetry (TG) and differential scanning calorimetry (DTG) data and pH measurement of the mother liquor. The pore volume, as determined from TG and DTG curves, was ca. 0.17 cm3g−1. The percent relative crystallinity was determined by XRD and FT-IR methods. The crystallization kinetics evidenced that the hydrothermal synthesis of AlPO4-11 exhibited in its initial phase a behavior of first order reaction with a specific velocity constant of ca. 0.25 h−1, as determined from XRD and FT-IR data. The results obtained by both X-ray diffraction and infrared spectroscopy are comparable, and FT-IR is found to be a rapid method for estimating crystallinity and structure of aluminophosphate.

We investigated magnesium ferrite MgFe2O4 nanoparticles synthesized by the sol-gel method followed by heat treatment at distinct temperatures. Specifically, we evaluated the influence of the heat treatment on the structural, magnetic, electrical, and dielectric properties of particles with dimensions of nm. Then, we brought a route, a synthesis method followed by heat treatment, that provide us the high control of the particle composition and particle size. X-ray diffraction analysis and transmission electron microscopy images revealed the formation of pure magnesium ferrite nanoparticles, with increasing average particle diameter with treatment temperature. The modifications of the structural parameters were correlated with the cation distribution between the tetrahedral (A) and octahedral [B] sites of the magnesium ferrite, which evolves with the increase of the Mg2+ ions at the [B] site as the heat treatment temperature is raised. The changes in the structural features induced by heat treatment at distinct temperatures led to modifications in the magnetic and dielectric properties of the ferrites. Magnetic characterization disclosed a dependence of the magnetic parameters with the treatment temperature. On the electric features, a decrease in the electrical resistivity with the treatment temperature was found, a fact primarily due to the increase of the grain size and the cation distribution of Mg and Fe. Regarding the dielectric characteristics, we disclosed low values for the dielectric constant and dielectric loss factor for the whole range of frequencies (0.1 up to 1.5 GHz), despite the dependence with the heat-treatment temperature and evolution with probe frequency. Through Mossbauer experiments, we elucidated the conduction mechanisms in our MgFe2O4 ferrite. Our results demonstrate that the structural, magnetic, electrical, and dielectric properties of MgFe2O4 nanoparticles can be tuned by the synthesis method followed by heat treatment. All these features place the magnesium ferrite MgFe2O4 nanoparticles, synthesized by sol-gel followed by heat treatment at distinct temperatures, suitable for sensor elements in technological devices and microwave applications.

The CTLH complex is a large, highly conserved eukaryotic complex composed of eight proteins that has been associated to several cellular functions, more often described as an E3 ubiquitin ligase complex involved in protein degradation through ubiquitination but also via vacuole-dependent degradation. A common feature observed in several components of this complex is the presence of the domains lissencephaly-1 homology (LisH) and C-terminal to LisH (CTLH). The LisH domain is found in several proteins involved in chromosome segregation, microtubule dynamics, and cell migration. Also, this domain participates in protein dimerization, besides affecting protein half-life, and influencing in specific cellular localization. Among the proteins found in the CTLH complex, Twa1 (Two-hybrid-associated protein 1 with RanBPM), also known as Gid8 (glucose-induced degradation protein 8 homolog) is the smallest, being a good model for structural studies by NMR. In this work we report the chemical shift assignments of the homodimeric LisH domain of Twa1, as a first step to determine its solution structure.

This work presents a study of the reactive distillation of atmospheric petroleum residue (ATR) containing 10% in mass of HY or HZSM-5 zeolites. The process aims the upgrade of ATR in order ...

In research for materials that can be applied in processing heavy oil (petroleum), this work proposes to synthesize mesoporous heterogeneous catalysts, type SBA-15, with the addition of cerium metal and aluminum. These catalysts were characterized by X-ray diffraction, scanning electron micrographs coupled to energy dispersive spectrometry, spectroscopy in the infrared region by Fourier transform, N2 adsorption and desorption and thermal analysis-thermogravimetry. Thermal tests were performed to evaluate the thermal and catalytic degradation process with a sample of heavy oil (°API = 14). Through the non-isothermal kinetic model of Ozawa Flynn Wall (OFW) some parameters for determining the apparent activation energy of decomposition were obtained. The petroleum with 12% of Ce5Al50SBA-15 showed a catalytic activity for this material. It has been seen that there was a decrease in the Ea in model free of the order from 89.0 to 104.9 kJ mol−1 in α = 50% ± 10%, and it was repeated from the first percen...

In the current work, the incorporation of niobium onto the nanostructured MCM-41 material was studied. The syntheses were carried out by the hydrothermal method using cetyltrimethylammonium bromide (CTMABr) as structural template, sodium silicate and water as solvent. Niobium was introduced in the reactive medium in the form of ammonium niobium oxalate, for obtaining Nb-MCM-41 materials. In order to verify the influence of the niobium content on the properties of the material, the samples were synthesized at Si/Nb molar ratios of 15, 30, 45 and 60. The materials were calcined and characterized by BET surface area, X-ray diffraction, Fourier transform infrared spectroscopy, X-rays fluorescence, for the determination of chemical composition, and scanning electron microscopy. The acidity properties of the MCM-41 and Nb-MCM-41, as determined by n-butylamine adsorption, were investigated by thermogravimetry in the temperature range of room temperature up to 600 °C, under nitrogen gas. From TG/DTG data, the acidity values were of 3.1–3.3 mmol g−1, for materials with Si/Nb molar ratio of 60, 45 and 30. The lower value of acidity of 0.6 mmol g−1, observed for Si/Nb = 15, suggests that at this molar ratio, Nb is not incorporated in the MCM-41 structure.

The co-processing of petroleum and polyethylene terephthalate (PET) was carried out in the presence and absence of a catalyst in an open vessel batch reactor at temperatures of 200, 300, 400, and 500 °C, which corresponds to temperatures of distillation and cracking. The catalyst used was the acidic HY zeolite, which is widely used in petroleum refining. The catalytic co-processing was carried out with the PET–oil charge, at a mass ratio of 1:1, containing 10% of HY zeolite. The conversion degree was measured by knowing the initial sample mass and amount of degraded material for each temperature and reaction time, using an improved gravimetric method consisting of a precision balance and an oven with a heating rate controller. The conversion values obtained were compared for petroleum and PET samples with and without the zeolite catalyst. At temperatures of 200 and 300 °C, the PET showed low conversions, about 5–10%. However, for the catalytic co-processing of PET–oil/HY at these same temperatures...

The catalytic degradation of high density polyethylene (HDPE) was studied in the presence of HZSM-12 zeolites with different Si/Al ratio, by thermogravimetry and pyrolysis coupled to gas chromatography and mass spectrometry. The NaZSM-12 zeolite was synthesized by the hydrothermal method using methyltriethylammonium chloride as template. The HZSM-5 was obtained by ion exchange of NaZSM-12 with ammonium chloride, drying and subsequent calcination. The materials characterization were carried out by chemical analysis, X-ray diffraction, scanning electron microscopy, BET measurements and acidity by n-butylamine adsorption. The obtained HZSM-12 zeolites were physically mixed with HDPE in the proportion of 50%wt and submitted to thermogravimetric analyses at heating rates of 2.5; 5; 10 and 20 °C min −1 . The addition of HZSM-12 to HDPE produced a decreasing in the temperature of polymer degradation, which was proportional to the zeolite acidity. The activation energy (Ea) for the process was determined from the non-isothermal model-free kinetic model proposed by Vyazovkin. The Ea decreases linearly with the concentration of acid sites on the HZSM-12 materials. From the pyrolysis data, the obtained products were typically light gases (C 2 -C 3 ); liquid petroleum gases (C 4 -C 5 ); and gasoline (C 6 -C 10 ). This results suggest that acid zeolites are excellent materials for obtaining alternative fuels from catalytic recycling of plastics.

The impact on in vivo efficacy and safety of two novel ionic liquids based on the association of choline with non-steroidal anti-inflammatory drugs, ketoprofen and naproxen forming IL-APIs, was evaluated. Their lipophilicity, solubility and toxicity were assessed aiming the illustration of the pharmaceutical profile and potential toxic impact. Partition coefficient was determined using micelles of hexadecylphosphocholine and UV–Vis derivative spectroscopy. Additionally, solubility in phosphate buffer pH 7.4 was measured using a modified shake flask method and UV–Vis spectroscopy as detection technique. Ultimately, toxicity was considered resorting to a fully automated cytochrome c oxidase assay based on microfluidics. The obtained results demonstrated that the IL-APIs' drug format has the ability to interact with biological membranes and also improves solubility up to 58 times. Moreover, it was evidenced that, although being a nutrient, choline influences the IL-APIs' toxicity. The studied anti-inflammatory IL-APIs exhibited promising properties regarding their incorporation in pharmaceutical formulations.

Acylase I (ACY I) plays a role in the detoxication and bioactivation of xenobiotics as well in other physiological functions. In this context, an automated ACY I assay for the evaluation of ionic liquids' (ILs) toxicity was developed. The assay was implemented in a sequential injection analysis (SIA) system and was applied to eight commercially available ILs. The SIA methodology was based on the deacetylation of N-acetyl-l-methionine with production of l-methionine, which was determined using fluorescamine. ACY I inhibition in the presence of ILs was monitored by the decrease of fluorescence intensity. The obtained results confirmed the influence of ILs' structural elements on its toxicity and revealed that pyridinium and phosphonium cations, longer alkyl side chains and tetrafluoroborate anion displayed higher toxic effect on enzyme activity. The developed methodology proved to be robust and exhibited good repeatability (RSD