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Platinum-based catalysts have been largely explored for CO2valorization by the reverse water gas shift (RWGS) reaction, especially the Pt/TiO2system. Understanding the distinct roles of various Pt species and the metal–support interaction, as well as finding ways to tailor them, is crucial for developing and optimizing more active systems. Herein, we employed molecularly defined Pt2+precursors based on salen ligand for easy Pt speciation according to the activation protocol. Salen-derived ligands are easily accessible coordination compounds that can be designed and combined with various metals, serving as versatile alternatives to create a broad library of metallic precursors. Pyrolysis, oxidizing, or reducing thermal pretreatments were used to decompose the coordination complexes impregnated on TiO2, impacting the Pt species formed, their local environment, electronic properties, and interaction with the support. We showed that at low temperatures (below 300 °C), metallic Pt nanoparticles had the highest activities; however, once exposed to harsher reactional conditions (>400 °C), they deactivated. On the other hand, an oxidative pretreatment induced the growth of mobile platinum clusters that, under a harsher reducing RWGS reactional atmosphere, redispersed into single atoms, being the dominant active site and presenting high activity and stability.

The objective of the study is to evaluate briquette manufacturing process as an alternative to reduce greenhouse gases (GHGs) emissions. The raw material considered for briquette production is tree pruning residue that is currently destined for a landfill in Caucaia, Brazil. Emissions were analysed by two aspects: reduction in biogas generation if tree pruning waste is not destined for the landfill cells; and reduction in emissions if mineral coal is replaced by briquette for energy generation purposes. Landfill gas emissions model (LandGEM) was used to estimate emissions from the studied landfill. Pollutant emission factors were used to calculate emissions for CO2, CH4and N2O by coal burning. Research results showed that each tonne of briquette produced would avoid the emission of 2.35 tonnes of CO2e. The results of this study could help waste managers and government decision-makers to assess and plan the implantation of a briquette factory in landfill sites.

Several methods have been developed to model the waterflooding process in oil reservoirs. Conventional models rely on full-scale reservoir simulators, which are computationally expensive. Data-driven models have emerged as a viable alternative to overcome this drawback. A hybrid (physics-based) data-driven method called Interwell Numerical Simulation Model with front-tracking in three dimensions (INSIM-FT-3D) was developed recently. INSIM-FT-3D does not require prior knowledge of geological information of the target reservoir as it uses the ensemble-smoother with multiple data assimilation (ES-MDA) for history matching. Studies have demonstrated that this method is computationally more efficient than full-scale reservoir simulation models, yielding similar results for biphasic scenarios. This work focuses on studying water and oil mass conservation in INSIM-FT-3D. We investigate the causes of observed errors in mass balance and propose a method to reduce them. The results are analyzed and discussed.

AbstractThe acute respiratory syndrome caused by the SARS-CoV-2, known as COVID-19, has been ruthlessly tormenting the world population for more than six months. However, so far no effective drug or vaccine against this plague have emerged yet, despite the huge effort in course by researchers and pharmaceutical companies worldwide. Willing to contribute with this fight to defeat COVID-19, we performed a virtual screening study on a library containing Food and Drug Administration (FDA) approved drugs, in a search for molecules capable of hitting three main molecular targets of SARS-CoV-2 currently available in the Protein Data Bank (PDB). Our results were refined with further molecular dynamics (MD) simulations and MM-PBSA calculations and pointed to 7 multi-target hits which we propose here for experimental evaluation and repurposing as potential drugs against COVID-19. Additional rounds of docking, MD simulations and MM-PBSA calculations with remdesivir suggested that this compound can also work as a multi-target drug against SARS-CoV-2.Communicated by Ramaswamy H. Sarma

•Total score of the Brazilian Bournemouth Questionnaire is valid.•The Brazilian Bournemouth Questionnaire for low back pain is reliable.•Standard Error of Measurement was 5.97 points.•Minimum Detectable Change was 16.54 points.

Background: Bubonic plague is amongst the diseases with the highest potential for being used in biological warfare attacks today. This disease, caused by the bacterium Yersina pestis, is highly infectious and can achieve 100% of fatal victims when in its most dangerous form. Besides, there is no effective vaccine, and the chemotherapy available today against plague is ineffective if not administered at the beginning of the infection. Objective: Willing to contribute for changing this reality we propose here new phenylureas as candidates for the drug design against plague meant to target the enzyme dihydrofolate reductase from Y. pestis (YpDHFR). Methods: Seven phenylureas, four of them new, were synthesized, following synthetic routes adapted from procedures available in the literature, and using microwave irradiation. After, they were submitted to docking studies inside YpDHFR and human DHFR (HssDHFR) in order to check their potential as selective inhibitors. Results: Our results revealed four new phenylureas and a new synthetic route for this kind of molecule using microwave irradiation. Also, our docking studies showed that these compounds are capable of binding to both HssDHFR and YpDHFR, with U1 - U4 and U23 showing more selectivity for HssDHFR and U7, U8 being more selective towards YpDHFR. Conclusion: We reported the synthesis with good yields of seven phenylureas, following a simple and clean alternative synthetic route using microwave irradiation. Further molecular docking studies of our compounds suggested that two are capable of binding more selectivity to YpDHFR, qualifying as potential candidates for the drug design of new drugs against plague.

Network Functions Virtualisation (NFV) presents several advantages over traditional network architectures, such as flexibility, security, and reduced CAPEX/OPEX. In traditional middleboxes, network functions are usually executed on specialised hardware (e.g., firewall, DPI). Virtual Network Functions (VNFs) on the other hand, are executed on commodity hardware, employing Software Defined Networking (SDN) technologies (e.g., OpenFlow, P4). Although platforms for prototyping NFV environments have emerged in recent years, they still present limitations that hinder the evaluation of NFV scenarios such as fog computing and heterogeneous networks. In this work, we present NIEP: a platform for designing and testing NFV-based infrastructures and VNFs. NIEP consists of a network emulator and a platform for Click-based VNFs development. NIEP provides a complete NFV emulation environment, allowing network operators to test their solutions in a controlled scenario prior to deployment in production networks.

ABSTRACTThe Brazilian Atlantic Forest and Brazilian Savanna (i.e., Cerrado) are classified as World Biodiversity Hotspots. Our goal was to analyze the spatial distribution of endangered species in both habitats within the Mourão River basin, southern Brazil. Forest remnants were mapped using Landsat 8 satellite images applying NDVI medium and landscape metrics. Locations of endangered species were added as an additional layer. The result was a map of 4015 forest remnants of which 97.66% were smaller than 50 ha, and 2.34% were larger than 50 ha. A total of 41 species was recorded in the Atlantic Forest fragments of the basin (total area: 25 502.6 ha), and 32 species in the Brazilian Savanna (total area: 8.6 ha). The forest fragment with the greatest richness of endangered species was Lago Azul State Park with 29 species endangered at the state level and six at the national level. The second and third most species-rich fragments corresponded to Brazilian Savanna fragments: Cerrado Ecological Station and Lote 7H. The integration of GIS, landscape metrics and spatial distribution of endangered species is an important tool for the identification of priority areas for biodiversity conservation.

Avaliar a fixação das cunhas de metal trabeculado em pacientes submetidos a revisão de artroplastia do quadril com grandes defeitos ósseos acetabulares.

One of the main difficulties inherent to the process of maintenance and management of existing assets is the lack of plans and project documents that allow a study and even an understanding of how the structure of the building works. In addition to the lack of records of changes made that may have altered the structure of heritage buildings over time. This makes it difficult to analyze interventions, to treat possible problems that may evolve into more worrying pathologies that put at risk the useful life of the property. Older buildings require more frequent inspections in order to carry out interventions that can extend their service life. Having all records of maintenance and inspections is essential for better planning future interventions. The usage of BIM technology in maintenance planning and management of existing buildings is becoming increasingly popular. This study proposes a methodology to efficiently use BIM technology in the phase of use, operation, and maintenance of buildings. Navisworks Manage software is used as a key alternative for information visualization and management, taking advantage of the interoperability inherent in the BIM process through IFC. The methodology involves the collection of data, modeling of the structure, linking maintenance sheets to each respective structural element of the 3D model, visualization of the 3D model in Navisworks Manage, and generation of 2D projects with indications of problems identified in the field. The proposed methodology improves the accuracy and dynamic nature of the maintenance planning process, allowing better control of inspection and maintenance records over time. The ease and security of data stored in real-time in online spreadsheets ensure the recording of information in an accessible and integrated way, which can be used in planning and reform processes over time. It enables the adoption of a preventive approach that favors and provides essential information for future maintenance. The proposed methodology can be adapted and reproduced for application in other design disciplines like architecture and complementary designs. The proposed methodology wasused for the visualization and documentation of the 3D model referring to the as-built of SG-12. This case study is part of the set of General Services Sheds of the University of Brasília, which besides being an old building in the process of being listed as cultural heritage, has undergone several changes over time. The methodology developed and the result of the documentation of the data are presented in detail.

The food industry, especially chocolate and cocoa products, undergoes intense competition and evolution, which demands the development of new food products. However, the success of a new product depends on accurate identification of customer needs to achieve market acceptance. Therefore, this study aims to assess the product concept of a chocolate formulated with vegetal extracts, macadamia nuts in this case, which is lactose free and contains no animal ingredients. The city of São Mateus, located in the State of Espirito Santo, is the second-largest producer of macadamia nuts in Brazil; thus, due to its prominence in macadamia nut production, we decided to use this city to examine the influence of regional appeal in accepting this new product (macadamia chocolate). For this research, data were collected from buyers in three different local supermarkets. The data collected in the area were statistically analysed for variables of interest. Based on this data, we demonstrate the characteristics of potential consumers of this new product and provide an analysis of the consumers' personal characteristics as a function of the acceptance of this product.

Anti-cocaine vaccines are a promising therapeutic strategy for treating cocaine use disorders. Here we hypothesize that nanoemulsions (NE) or suspensions (SS) loaded with the calix [4]arene-based immunogen UFMG-V4N2 can induce the production of anti-cocaine antibodies and decrease the passage of radiolabeled cocaine analog [99mTc]Trodat-1 through of the brain barrier. UFMG-V4N2 was characterized (solubility, morphology, DSC, XRD) and loaded into NEs and SSs using excipients approved for human use. Immunogenic efficacy was assessed by quantifying the titers and determining the specificity of anti-cocaine IgG antibodies, and by assessing the inhibition of [99mTc]Trodat-1 trafficking across the mice brain-barrier. UFMG-V4N2 is an amorphous, thermally stable molecule with very low hydrophilicity. The immunogenicity of NE or SS was similar, but aluminum phosphate and the lower dose of UFMG-V4N2 induced higher anti-cocaine IgG antibody titers, minimizing [99mTc]Trodat-1 uptake in the brain. Therefore, the UFMG-V4N2 may represent an alternative for the treatment of cocaine use disorder.

In the present work, we propose to design drugs that target the enzyme dihydrofolate redutase (DHFR) as a means of a novel drug therapy against plague. Potential inhibitors of DHFR from Yersinia pestis(YpDHFR) were selected by virtual screening and subjected to docking, molecular dynamics (MD) simulations, and Poisson–Boltzmann surface area method, in order to evaluate their interactions in the active sites of YpDHFR and human DHFR (HssDHFR). The results suggested selectivity for three compounds that were further used to propose the structures of six new potential selective inhibitors for YpDHFR.

AbstractDate palm empty fruit bunch (EFB) is a reliable and underutilized agriculture residue generated by the date industry. EFB contains polymeric sugars that can be converted to biofuel when subjected to pretreatment, enzymatic hydrolysis, and microbial fermentation. Optimized biofuel processing conditions produced 119 kg ethanol per dry metric ton EFB. The highest sugar conversions from enzymatic hydrolysis were found with Ammonia Fiber Expansion (AFEX™, MBI International, Lansing, MI) pretreatment conditions of 2:1 ammonia-to-biomass ratio, 80% moisture content, and a temperature of 120°C, for 30 min residence time. These conditions produced 52.5 g/L and 34.8 g/L of fermentable glucose and xylose, respectively.This hydrolysate was inoculated with a glucose- and xylose-consuming recombinant yeast strain producing 35.8 g/L and 31.8 g/L ethanol with and without nutrient supplementation, respectively. A complete mass balance for EFB pretreatment, enzymatic hydrolysis, and microbial fermentation is presented in this manuscript.

Nature is an irrefutable source of inspiration for the modern man in many aspects. The observation and understanding of nature have allowed the development of new materials, new sources of energies, new drugs etc. Specifically, natural products provide a great contribution to the development of new agents for the treatment of infections and antitumor agents. However, obtaining natural products directly from animals, fungi, bacteria, plants etc has been considered not enough to attend the high demand by pharmaceutical industries. In this regard, various strategies based on biotechnological processes or synthetic approaches have been developed. In this scenario the total synthesis can be undoubtedly a useful and powerful tool for obtaining higher amounts of natural products and/or structural modifications thereof. Herein, we emphasize successful examples of total synthesis of galanthamine, morphine, paclitaxel and podophyllotoxin - natural products approved as pharmaceuticals.

Conventional harvest and ethanol conversion strategies for corn (Zea maysL.) grain and corn stover involve multiple trips across the field and separate bioprocessing of the grain and stover. The objective of this study was to compare bioethanol yield between a traditional source separated corn harvest coupled with conventional separate starch and cellulosic bioprocessing streams, and novel whole‐plant harvest strategies coupled with a whole‐plant (starch plus cellulosic) bioprocessing platform. Composition analysis showed immature cut whole‐plant fractions whether fresh processed (ImF) or ensiled (ImS), and mature cut whole‐plant fraction (MWP) had higher glucan (56.0 ± 8.0% kg kg−1dry biomass), lower xylan (13.3 ± 2.7%), arabinan (2.9 ± 0.6%) and acid‐insoluble lignin (11.8 ± 2.6%) contents than mature cut source separated fractions of stover (MSep‐S) and cob (MSep‐C). Averaged across locations MWP corn had significantly higher bioethanol yield on a land area basis (6446 ± 974 L ha−1) than the other harvest strategies. There was no difference in ethanol yield on a land area basis between ImF (5679 ± 1046 L ha−1) or ImS (5294 ± 1052 L ha−1) indicating that conventional ensiling is a viable feedstock storage method for bioethanol production in future biorefineries. The results suggest that whole‐plant corn harvesting coupled with whole‐plant bioconversion to ethanol is a viable alternative to the convention of separate grain and stover harvesting and bioprocessing.

Several materials have been proposed for nasal reconstruction. There is no consensus on which is the best. The cellulose blanket produced by bacteria may be a possible cartilaginous addition element to the nose.

This work describes an efficient micropropagation protocol of Lippia filifolia. Nodal segments cultivation in MS medium supplemented with 6-benzylaminopurine (4.5 μM)/α-naphthaleneacetic acid (NAA; 54nM) induced multiple shoots (in average 27 shoots per explant). Elongated shoots were rooted with NAA (0.11 μM) and they maintained ploidy level of the in vitroproduced explants. The basic chromosome number were 2n=2x=24. Regenerated rooted shoots were successfully acclimatized under shading house conditions. This is the first report involving the establishment of a protocol for shoot multiplication and rooting for endangered L. filifolia, contributing for germplasm preservation of this species.

The folate pathway is involved in hepatic carcinogenesis and angiogenesis. Polymorphisms in genes related to such processes, including methylene tetrahydrofolate reductase (MTHFR) and vascular endothelial growth factor (VEGF)] may play an important role in the development of hepatocellular carcinoma (HCC). The objective of this study was to evaluate MTHFRand VEGFpolymorphisms in Brazilian patients with hepatitis C virus (HCV)-related HCC.

• This paper describes the evolution of HHT, focused on its one-dimensional version. • Research limitations and solutions available in the literature are listed. • Some variations of the EMD are compared. • Bibliometric analysis is quantitatively conducted. • Research gaps and suggestions for future work are summarized. Signal processing methods are essential in scientific research, and time-frequency analysis techniques such as Fourier Transform constitute an important progress in data analysis, but may be limited to examining non-linear and non-stationary processes, although there are ways to work around this problem, with Wavelet Transform for example. Recently Hilbert-Huang Transform (HHT) was created, considered by several researchers to be the most appropriate tool to deal with non-linear and non-stationary signals, because unlike the two transforms mentioned, it is not limited by the uncertainty principle and its basis is adaptive. Like other techniques, HHT has some limitations but has great potential and, consequently, the interest of the academic community has grown in recent years, leading the method to be applied in various knowledge areas. In this paper, a literature review that comprises the method since its introduction in 1996 to March 2021 is presented, covering its evolution and some of the solutions proposed over the years for the main problems cited in the literature, which were divided into the five categories: Stop Criterion, Determination of Envelopes, End Effects, Under/Overshoots and Mode Mixing. Some quantitative results are also presented regarding the number of publications by year and type, geographic distribution of research and application areas cited in the papers selected for this survey. It is believed that the exposed in this paper summarizes the evolution of HHT and the studies that involve it, indicating opportunities for research for a tool that has been increasingly powerful. [ABSTRACT FROM AUTHOR]