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While established guidelines exist for chirality in tetrahedral molecules, there is a notable absence of clear rules for recognizing metal-centered chirality in higher-coordination complexes. We develop decision trees to assess the likelihood of chirality-at-metal in coordination complexes with coordination numbers 4-9 with mono and bidentate ligands. Using binary decision rules based on shape, ligand type, and quantity, the trees classify complexes as chiral or achiral. The theoretical formalism employs stereoisomer enumeration via Pólya's theorem, assuming ideal geometries and cis coordination of bidentate ligands. Additionally, analysis of over 2700 crystallographic structures reveals a high prevalence of metal-centered chirality, especially in complexes with higher coordination numbers. These powerful yet easy-to-use decision trees provide chemists with deeper insights into the stereochemistry of metal coordination complexes and with effective tools to identify and understand this often-overlooked stereochemical property and its impact on molecular interactions and crystal packing., (© 2025 Wiley Periodicals LLC.)

Duchenne muscular dystrophy is a neuromuscular disease with an overall incidence of between 1 in 5,000 newborn males. Carriers may manifest progressive muscle weakness, resulting from the progressive degeneration of skeletal muscles, generating cardiac and respiratory disorders. Considering the lack of effective treatments, different therapeutic approaches have been developed, such as protein synthesis and extracellular matrix derivatives that can be used to improve muscle regeneration, maintenance, or repair. At the same time, the use of other anti-inflammatory drugs or biological agents to replace corticosteroids conjugated to these extracellular matrix derivatives may act more effectively in controlling the progression of Duchenne muscular dystrophy. Extracellular matrix-derived peptides (eg laminin-111 derivatives) and the use of essential oils with antiinflammatory activity in polymeric particles for application in the treatment of Duchenne muscular dystrophy are discussed. For this purpose, the literature of patents and scientific articles from 2012- 2024 on LM-111 peptides and Duchenne muscular dystrophy was reviewed. Many patents focus on palliative technologies that seek to prolong the progressive effects of the disease, considering the control of the inflammatory process. The technological and scientific prospecting suggests the need for continuous research on systems that can serve as a treatment for Dystrophy., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

Red pitaya fruit has become a source of natural colorant, because it is rich in betalains, a pigment that imparts a red-purple color that interests the food and cosmetics industries. This fruit also possesses high nutritional value, with a range of bioactive compounds known to confer potential health benefits and prevent chronic diseases, such as diabetes, which makes it useful for use as pharmaceutical agents and dietary supplements. In order to improve its technological and biological effects, a concentration will be required. Thus, the microfiltration, followed by vacuum concentration, can be an interesting strategy for this purpose. This study aimed to explore tangential microfiltration to produce microfiltered material, which is an important step to obtain the microfiltered red-purple pitaya concentrate. Therefore, physicochemical and chemical characterization (including 1 H NMR analysis) and biological properties (toxicity and diabetes) of this concentrate were assessed, using adult zebrafish as a model. The results show that microfiltration was carried out efficiently, with an average consumption of 95.75 ± 3.13 and 74.12 ± 3.58 kW h m -3 , varying according to the material used ("unpeeled pitaya pulp" or "pitaya pulp with peel," respectively). The in vivo tests indicated non-toxicity and hypoglycemic effect of the concentrate, since the blood glucose levels were significantly lower in the zebrafish groups treated with this concentrate in comparison with that of control group. Thus, this study suggests the potential of microfiltered red-purple pitaya concentrate as a promising multifunctional food-derived colorant, exhibiting beneficial biological effects far beyond its attractive color. PRACTICAL APPLICATION: Hylocereus polyrhizus (F.A.C. Weber) Britton & Rose has attracted attention as a potential source of natural colorants because of its red-purple skin and flesh color. In addition, this fruit has a range of bioactive compounds, which make it a valuable resource for providing potential health benefits and preventing chronic diseases such as diabetes. In this paper, the microfiltered red-purple pitaya concentrate showed beneficial biological effects far beyond its attractive color. Thus, this product can be considered a promising multifunctional food-derived colorant to use in the food, pharmaceutical, or cosmetics industries., (© 2024 Institute of Food Technologists.)

This study aimed to produce oleogels based on non-germinated and germinated wheat starches with orange essential oil, apply them to replace hydrogenated vegetable fat in bread, and assess the antifungal action. The oleogels were prepared using sunflower oil, wheat starches, beeswax, water, and orange essential oil (OEO). They were evaluated to determine the volatile compounds, oil binding capacity, texture profile, storage stability for 20 days, thermogravimetric analysis, and functional groups. The breads were evaluated by their moisture content, specific volume, texture profile, volatile compounds, and microbiological contamination during 15 days of storage. The oleogels showed high storage stability, were fully intact after 20 days of storage, and had a high oil binding capacity (∼100 %). The oleogels with OEO presented increased adhesiveness and reduced hardness compared to the ones without essential oil. The oleogels with OEO based on germinated wheat starch released a high amount of volatile compounds. Substituting saturated vegetable fat with oleogels in bread formulation resulted in decreased hardness and maintained specific volume. Furthermore, incorporating OEO oleogels in the bread led to reduced growth of total mesophiles and fungi., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023. Published by Elsevier B.V.)

This study aimed to produce water-absorbent bioactive aerogels using biodegradable raw materials, wheat starch and poly ethylene oxide (PEO), and derived from agro-industrial residues (grape skin) obtained in the wine industry. The aerogels were produced using germinated wheat starch (GWS), with and without PEO, and incorporating grape skin extract (GSE) at concentrations of 5 and 10 % (w/w). The GSE was evaluated for total and individual phenolic compounds, anthocyanins, and antioxidant activity. The starch aerogels were characterized for morphology, density, porosity, functional groups by FT-IR, relative crystallinity and diffraction pattern, water absorption capacity, antioxidant activity, and in vitro release profile of phenolic compounds in food simulant medium. The total phenolic compounds in GSE was 226.25 ± 0.01 mg equivalent of gallic acid/g GSE. The aerogels showed low density and high porosity. All aerogels demonstrated high water absorption capacity (581.4 to 997.5 %). The antioxidant activity of the aerogels increased with increasing GSE concentration and the addition of PEO. The aerogels could release GSE gradually for up to 120 days in the hydrophilic simulant medium and 240 h for the hydrophobic medium. Starch-based aerogels with GSE showed potential to be applied as exudate absorbers with antioxidant activity to develop active food packaging., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier B.V. All rights reserved.)

Ketoconazole (KTZ), a broad-spectrum fungicidal drug, has been a significant problem in recent decades due to its toxic action on non-target aquatic organisms. Thus, the present study aimed to evaluate determine the effects that environmental relevant concentration of the commercial formulation of KTZ can exert on benthic macroinvertebrates, more specifically on larvae of the insect Chironomus sancticaroli. Acute toxicity tests with KTZ indicated lethal concentration (LC 50 ) of 9.9 μg/L. Analyses of prolonged exposure to KTZ (chronic toxicity) indicated an increase in the rate of mentum deformity by approximately 3 times at concentrations of 0.6 and 2.4 μg/L. All biomarkers analyzed showed an increase after exposure to KTZ (0.6 and 2.4 μg/L), with average values of 115 % for superoxide dismutase (SOD), 63 % for catalase (CAT), 111 % for glutathione S-transferase (GST) and 59 % for malonaldehyde (MDA) in C. sancticaroli larvae. Thus, the toxic effects on survival, development (length and weight), mentum and redox responses caused by commercial KTZ in low concentrations were observed on C. sancticaroli larvae. In addition, the results suggest that biochemical biomarkers can be used for studies involving environmental disturbances., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 Elsevier Inc. All rights reserved.)

This research aimed to assess the level of physical activity and identify the associated factors in pregnant women assisted in primary health care in the city of Montes Claros, Minas Gerais (Brazil). This was an epidemiological, cross-sectional, analytical study, carried out with 1,279 pregnant women. Socioeconomic, occupational, obstetric, behavioral, social, health, and emotional variables were assessed using a questionnaire. The Physical Activity Questionnaire for Pregnant Women was also applied. Descriptive statistical analysis and multinominal logistic regression with a hierarchical model were performed. The prevalence of physical inactivity in the physical activity and leisure time dimensions was verified. A mild level of physical activity was associated with the variables such as age from 21 to 30 years and up to 20 years old, income above two minimum wages, salaried work, and maternal-fetal attachment at a medium/high level. Income from one to two minimum wages and above two wages, paid work and self-employment, anxiety and stress symptoms, and medium/high maternal-fetal attachment were associated with the moderate/vigorous level. Multifactorial aspects must be considered in health promotion strategies directed to the practice of physical activity by pregnant women.

Imidacloprid (IMI) is a neonicotinoid insecticide widely used in agriculture worldwide. This pesticide has been found in freshwater ecosystems, including Brazilian freshwaters. For this reason, studies are being conducted to detect the presence of IMI in freshwater and understand its effects on the aquatic biota. In the present study, the acute toxic effect of the imidacloprid commercial formulation (ICF) Galeão ® on the Brazilian non-target aquatic organisms Chironomus sancticaroli and Poecilia reticulata was evaluated. Enzymatic activities (glutathione S-transferase (GST), catalase (CAT), and ascorbate peroxidase (APX)) were also determined. Moreover, we considered 11 studies that detected IMI concentrations up to 3.65 µg.L -1 in 28 different Brazilian freshwaters to evaluate the acute ecological risk of IMI in these environments. From the ecotoxicological assays, we determined the LC 50 values for C. sancticaroli (LC 50-48 h 1.52 µg.L -1 ) and P. reticulata (LC 50-96 h 122.65 mg.L -1 ). The high sensitivity of C. sancticaroli demonstrates that this species could be used as a bioindicator in studies investigating the contamination of freshwater by IMI. Enzymatic activity changes were observed in both organisms and offered sublethal responses to the effects of the pollution by IMI on aquatic biota. Our results suggest that the presence of IMI in Brazilian aquatic ecosystems can represent a potential ecological risk for the aquatic insect populations and, consequently, cause an imbalance in these ecosystems. The present study provides relevant and comparable toxicity information that may be useful to develop public policies to protect the Brazilian aquatic ecosystem from IMI contamination., (© 2022. The Author(s), under exclusive licence to Springer Nature Switzerland AG.)

Phytochelators have been studied as templates for designing new drugs for chelation therapy. This work evaluated key chemical and biological properties of five candidate phytochelators for iron overload diseases: maltol, mimosine, morin, tropolone, and esculetin. Intra- and extracellular iron affinity and antioxidant activity, as well as the ability to scavenge iron from holo-transferrin, were studied in physiologically relevant settings. Tropolone and mimosine (and, to a lesser extent, maltol) presented good binding capacity for iron, removing it from calcein, a high-affinity fluorescent probe. Tropolone and mimosine arrested iron-mediated oxidation of ascorbate with the same efficiency as the standard iron chelator DFO. Also, both were cell permeant and able to access labile pools of iron in HeLa and HepG2 cells. Mimosine was an effective antioxidant in cells stressed by iron and peroxide, being as efficient as the cell-permeant iron chelator deferiprone. These results reinforce the potential of those molecules, especially mimosine, as adjuvants in treatments for iron overload., (© 2021. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)

Rivers in the Amazon have among the greatest biodiversity in the world. The Xingu River, one of the tributaries of the Amazon River, has a length of 1640 km, draining 510,000 km2 in one of the most protected regions on the planet. The Middle Xingu region in Brazil has been highly impacted by mining and livestock farming, leading to habitat fragmentation due to altered water quality. Therefore, comparing two rivers (the preserved Xingu River and the impacted Fresco River) and their confluence, the aims of the present study were to (1) assess the land uses in the hydrographic basin; (2) determine the water quality by measurements of turbidity, total solids, and metals (Cd, Cu, Fe, Mn, Pb, Zn, and Hg); (3) compare the zooplankton biodiversity; and (4) to evaluate the avoidance behavior of fish (Astyanax bimaculatus) when exposed to waters from the Xingu and Fresco Rivers. Zooplankton were grouped and counted down to the family level. For the analysis of fish avoidance, a multi-compartment system was used. The forest class predominated at the study locations, accounting for 57.6%, 60.8%, and 63.9% of the total area at P1XR, P2FR, and P3XFR, respectively, although since 1985, at the same points, the forest had been reduced by 31.3%, 25.7%, and 27.9%. The Xingu River presented almost 300% more invertebrate families than the Fresco River, and the fish population preferred its waters (>50%). The inputs from the Fresco River impacted the water quality of the Xingu River, leading to reductions in local invertebrate biodiversity and potential habitats for fish in a typical case of habitat fragmentation due to anthropic factors.

Urban morphology affects airflow, causing pollutant accumulation within the urban canopy. Urban planning can regulate urban form by applying such strategies as defining urban block typology and stipulating urban indices. Consequently, urban planning can contribute to a healthy environment. In this context, modeling pollutant dispersion can assist urban planning decisions. Nonetheless, there is a lack of studies investigating the combined impact of urban block typology and urban indices on air quality. Therefore, this study aims to analyze the impact of these combined strategies on pollutant dispersion. Using computational fluid dynamics techniques, we investigated three combinations of urban indices (floor area ratio, surface coverage, and height) for three urban block typologies (single-block, detached building, and central courtyard). A total of nine urban configurations were distributed into three sets of urban index values for the three block typologies, namely "basic cases," "1-cases," and "2-cases." We used the Unsteady Reynolds-Averaged Navier-Stokes equations and the κ-ω SST turbulence model for the numerical simulations. The validation was conducted using wind tunnel experimental data. To assess city breathability at pedestrian height we used five parameters: pollutant concentration, the mean age of air, net escape velocity, and pollutant mass fluxes. The results showed that both strategies (i.e., block typology and urban indices) affect urban air quality. However, the performance of a block typology depends on the urban index values. For instance, in the "2-cases," decreasing the surface coverage by increasing the building's height improved ventilation efficiency in all typologies. Nonetheless, this strategy changed the performance ranking of the "basic cases." In "basic cases" the single-block typology had the best performance; in the "2-cases," the courtyard typology performed best. Although the courtyard typology improved air quality inside the patio, the outdoor areas displayed more pollutant concentration. Finally, general orientations to developing urban planning strategies were formulated., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2021 Elsevier B.V. All rights reserved.)

Background: GSK initiated a Pregnancy Registry in the United States (US) for the reduced-antigen-content tetanus-diphtheria-acellular pertussis (Tdap; Boostrix, GSK) vaccine with the aim to detect and describe pregnancy outcomes in women vaccinated with Boostrix 28 days before estimated conception or during pregnancy., Methods: Voluntary reports of pregnancy exposure to Boostrix received from spontaneous and post-marketing surveillance sources in the US were assessed. Reports were classified as prospective or retrospective based on the knowledge of pregnancy outcomes at the time of reporting. For completeness, reports of exposure to Boostrix or to the Tdap-inactivated poliovirus vaccine (Boostrix-IPV, GSK) reported to the global safety database from countries outside the US were also evaluated., Results: From May 2005 to August 2019, 1517 (1455 prospective and 62 retrospective) pregnancy reports were received in the Boostrix US Pregnancy Registry. Of the prospective reports, 250 had known outcomes: 244 live infants with no apparent birth defects (BDs), three live infants with BDs, and three spontaneous abortions with no apparent BDs. Of the retrospective reports, 55 had known outcomes: 33 live infants with no apparent BDs, 16 live infants with BDs, one spontaneous abortion with no apparent BDs, four stillbirths with no apparent BDs, and one stillbirth with BDs. Cumulatively, 1321 pregnancy reports (1006 for Boostrix; 315 for Boostrix-IPV) were received from countries outside the US. Of these, 163 prospective reports and 551 retrospective reports had known outcomes. Results were in line with those from the Boostrix US Pregnancy Registry., Conclusions: Data currently available from the Boostrix US Pregnancy Registry and from countries outside the US suggested that exposure to Boostrix or Boostrix-IPV during pregnancy does not raise safety concerns related to adverse pregnancy outcomes or BDs., Competing Interests: Declaration of Competing Interest The authors declare the following financial interests/personal relationships which may be considered as potential competing interests: AJ is employee of the GSK group of companies. AK, LC, MAC, and FTDS are employees of the GSK group of companies and have shares in the GSK group of companies. The authors declare no non-financial relationships and activities. All authors attest they meet the ICMJE criteria for authorship., (Copyright © 2022 GlaxoSmithKline Biologicals S.A. Published by Elsevier Ltd.. All rights reserved.)

When handling metallic centers of higher coordination numbers, one is commonly deluded with the presumption that any assembled metal complex geometry (including a crystallographic one) is good enough as a starting structure for computational chemistry calculations; all oblivious to the fact that such a structure is nothing short of just one out of several, sometimes dozens, or even thousands of other stereoisomers. Moreover, coordination chirality, so frequently present in complexes of higher coordination numbers, is another often overlooked property, rarely recognized as such. The Complex Build algorithm advanced in this article has been designed with the purpose of generating starting structures for molecular modeling calculations with full stereochemical control, including stereoisomer complete identification and coordination chirality recognition. Besides being in the chosen correct stereochemistry, the ligands are positioned by the Complex Build algorithm in a very unobstructed and unclogged manner, so that their degrees of freedom do not hinder or even choke one another, something that would otherwise tend to lead to negative force constants after further geometry optimizations by more advanced computational model chemistries. The Complex Build algorithm has been conceived for any metallic center, but at present is targeting primarily lanthanoids whose coordination numbers range mostly from 5 to 12 and often lead to a combinatorial explosion of stereoisomers., (© 2021. The Author(s).)

The occurrence of emerging pharmaceutical pollutants (i.e. small drugs, antibiotics) present in aquatic environments shown to be a current environmental problem still without apparent solution. In this regard, the use of ecotoxicological techniques has been shown fundamental for the appraisal of damage to affected living organisms. Herein, ecotoxicological tests were conducted, focusing on the evaluation of the effects of ketoconazole (KTZ) on the antioxidant system of the model body Daphnia similis. In order to study the biochemical changes caused by KTZ in the antioxidant system, the enzymatic biomarkers glutathione S-transferase (GST), catalase (CAT), and ascorbate peroxidase (APX) were monitored. Toxicological tests were conducted using KTZ concentrations (0-10 μg·L -1 ). Prolonged exposure to KTZ (336 h) caused changes upon the expression of antioxidant enzymes and simultaneously affected the reproductive system in those organisms. Moreover, a decrease in GST and APX activity was observed caused by KTZ exposure, respectively 79.2% (3.53 μmol min -1  mg -1 protein) and 24.4% (0.88 μmol min -1  mg -1 protein). On the other hand, it was observed an increase of 27% (0.17 μmol min -1  mg -1 protein) in CAT activity. Through this study, it was possible to observe the toxicological effects of KTZ, which proves its action as an oxidative stress-inducing agent and endocrine modifier in daphnids organisms., (Copyright © 2021 Elsevier Inc. All rights reserved.)

Objective: This article reports the case of a patient with oral manifestation of coronavirus disease 2019 (COVID-19) treated with photobiomodulation (PBM) and photodynamic therapy (PDT). Background: Some dermatological and oral mucosal lesions have recently been linked to severe acute respiratory syndrome coronavirus 2 infection. Methods: A 65-year-old female patient with a confirmed real-time reverse transcriptase-polymerase chain reaction diagnosis of COVID-19 presented with dry edematous lips, edema with mucosal desquamation, ulceration and blood crust on the inner aspect of the lips, gingival petechiae and erythematous and pseudomembranous lesions on the dorsum of the tongue. The treatment protocol was three sessions of antimicrobial PDT (aPDT) (660 nm diode laser + methylene blue) to the lips and tongue, every 24 h to control contamination, followed by PBM (low-power laser, 100 mW, 2 J/point) to the lips, tongue, and oral mucosa for additional four sessions every 24 h. Results: Therapy association promoted pain control and healing of oral mucosal lesions in 7 days of treatment. Conclusions: PBM and aPDT could be an interesting approach to manage COVID-19 patients.

Background: The supplementation of folic acid in food is essential in the human diet. The present study aimed to encapsulate folic acid at different concentrations (5, 10 and 15% (w/w) on a dry basis) in potato starch nanofibers produced through electrospinning. The starch/folic acid nanofibers were evaluated through morphology, Fourier transform infrared (FTIR) spectra, thermal properties, encapsulation efficiency (EE) and in vitro simulation of the human digestion. The nanofibers were also evaluated based on the folic acid content after thermal treatment (100 and 180 °C) and UVA irradiation (1 and 24 h)., Results: Folic acid incorporation influenced the morphology of the nanofibers to display a homogeneous and beadless morphology for nanofibers containing 15% folic acid compared with the other nanofibers (0, 5 and 10% folic acid). The mean diameter varied from 75 to 81 nm. Folic acid characteristic bands and peaks were not found in the nanofiber FTIR spectra and thermograms, respectively. The EE was 73, 87 and 95% for nanofibers with 5, 10 and 15% folic acid, respectively., Conclusions: The starch nanofibers protected folic acid from high temperature and UVA irradiation and during in vitro digestion, showing a release of the vitamin at the end of the simulation (intestinal conditions). The supplementation of folic acid in foods can be effectively achieved by its encapsulation into starch nanofibers, to ensure its protection and controlled release. © 2020 Society of Chemical Industry., (© 2020 Society of Chemical Industry.)

Several studies have indicated the presence of the neonicotinoid insecticide imidacloprid (IMI) in aquatic ecosystems in concentrations up to 320.0 µg L -1 . In the present study, we evaluated the effects of the highest IMI concentration detected in surface water (320.0 µg L -1 ) on the survival of Chironomus sancticaroli, Daphnia similis, and Danio rerio in three different scenarios of water contamination. The enzymatic activities of glutathione S-transferase (GST), catalase (CAT), and ascorbate peroxidase (APX) in D. rerio also were determined. For this evaluation, we have simulated a lotic environment using an indoor system of artificial channels developed for the present study. In this system, three scenarios of contamination by IMI (320.0 µg L -1 ) were reproduced: one using reconstituted water (RW) and the other two using water samples collected in unpolluted (UW) and polluted (DW) areas of a river. The results indicated that the tested concentration was not able to cause mortality in D. similis and D. rerio in any proposed treatment (RW, UW, and DW). However, C. sancticaroli showed 100% of mortality in the presence of IMI in the three proposed treatments, demonstrating its potential to impact the community of aquatic nontarget insects negatively. Low IMI concentrations did not offer risks to D. rerio survival. However, we observed alterations in GST, CAT, and APX activities in treatments that used IMI and water with no evidence of pollution (i.e., RW and UW). These last results demonstrated that fish are more susceptible to the effects of IMI in unpolluted environments.

Background: Semen cryopreservation is essential in animal breeding programs for improving the availability of genetic resources from animals with high breeding value., Objective: To evaluate the addition of Brazil nut extract as a replacement for egg yolk in bovine semen cryopreservation., Materials and Methods: Semen was collected from five Nelore bulls and cryopreserved with the addition (treatments) of 0, 25, 50, 75, or 100% Brazil nut extract in the cryoprotectant medium. After thawing, spermatic cells were evaluated for morphology, plasma membrane integrity, spermatic kinetics, and in vitro fertilization. The experimental design was in randomized blocks, and the data were submitted to regression analysis., Results: The minor-type and total defects, and plasma membrane integrity were affected (P < 0.05) as a function of egg yolk substitution with Brazil nut extract. There was a significant effect (P < 0.05) of Brazil nut extract addition on the spermatic kinetics and cleavage rate., Conclusion: The addition of Brazil nut extract in the cryoprotective medium as a substitute of egg yolk for freezing bovine semen negatively affects sperm quality and fertility.

Wastewater discharges from dairy industries can cause a range of harmful effects in aquatic ecosystems, including a decline in biodiversity due to species evasion. Therefore, it is important to know the purification potential of rivers for the removal of pollutants released in dairy wastewater (DWW). The hypothesis adopted in this work was that the release of DWW into stretches of the Ribeirão dos Pombos River (São Paulo State, Brazil) might trigger an avoidance response, resulting in fish migrating to other regions, with the response being greater when the self-cleaning potential of the river is smaller. Therefore, the goals of the present study were to: (i) investigate how land use and seasonality of the rainfall regime influence the quality of the water in different areas of the river (P1: river source; P2: urban region; P3: rural region); (ii) assess the potential of the river to purify DWW; and (iii) evaluate the potential toxicity and repellency of DWW to the freshwater fish Danio rerio, using acute toxicity (mortality) and non-forced avoidance tests, respectively. P1 was shown to be the most preserved area. The chemical composition of the river varied seasonally, with higher concentrations of Cl - and SO 4 2- at P3 during the rainy period. The river purification potential for DWW was higher at P2, due to greater microbiological activity (associated with higher BOD). The DWW was more acutely toxic in water from P2. The avoidance response was strongly determined by the concentration of DWW, especially for water from P2. The high capacity for self-cleaning at P2 did not seem sufficient to maintain the stability of the ecosystem. Finally, the non-forced exposure system proved to be a suitable approach that can assist in predicting how contaminants may affect the spatial distributions of organisms., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2020 Elsevier Ltd. All rights reserved.)

Alloy clusters of Na x Li y (4 ≤ x + y ≤ 10) are studied by exploring the potential energy surface in the ab initio MP2 level with the support of a quantum genetic algorithm (QGA). In some cases, the structures have been also refined with DFT and coupled-cluster methods. The general trends of sodium-lithium structures are in line with previous studies. The ionization potentials and polarizabilities to all structures were calculated with MP2 method and the average error between these two properties compared with experimental data was 6% and 13%, respectively. The topological analysis based on quantum theory of atoms in molecules (QTAIM) showed that by increasing the cluster size of the diatomic system there was a decrease of atomic interaction energies. The degree of degeneracy from D3BIA aromaticity index and the analysis of the atomic charges showed the influence (by charge transfer) of the chemical element in lower quantity in the cluster with respect to the other atoms. Our achievements of comparing our theoretical results with available experimental data have demonstrated that our approach can also predict satisfactorily quantum atomic and alloy clusters properties, at least, for low nuclearities.

Introduction . Gastrointestinal stromal tumors (GISTs) are mesenchymal tumors and constitute the largest group of nonepithelial digestive neoplasms. However, they do not represent more than 1% of primary digestive tumors. They commonly metastasize to the liver and peritoneum, but brain metastases are extremely rare. Clinical Case . A 76-year-old woman with a diagnosis of esophageal GIST with liver and lung metastases for 13 years, medicated with imatinib, is presented. She was brought to the emergency department after falling and due to changes in behavior and vertigo with 24 hours of evolution. On physical examination, she presented changes in behavior, dysarthria, dysmetria on the right, gait imbalance, and no motor or sensory deficits. On brain computed tomography and posteriorly on magnetic resonance, 2 lesions were observed, left frontal and right cerebellar, compatible with metastatic lesions. After contribution of neurosurgery, histology was obtained that confirmed the lesions were GIST metastases. Imatinib was maintained, and whole brain radiotherapy was performed. After 6 months, she died. Discussion . The rarity of GIST brain metastases is noteworthy, and because of that, there is not enough experience to be certain of the best treatment. Our patient lived for 13 years with excellent disease control with imatinib, but the fact that it does not cross the blood-brain barrier makes it not useful in preventing or treating brain lesions. New tyrosine kinase inhibitors that may cross the blood-brain barrier could be the answer to these cases., Competing Interests: The authors declare that there are no conflicts of interest regarding the publication of this paper., (Copyright © 2020 José Carvalho et al.)

This work reports an analytical method for determining electrical resistivity (ρ) and sheet resistance (R S ) of isotropic conductors. The method is compared with previous numerical solutions and available experimental data showing a universal behavior for isotropic conductors. An approximated solution is also reported allowing one to easily determine ρ and R S for samples either with regular or arbitrary shapes.

Background: Thyme essential oil (TEO) is an excellent natural substitute for synthetic compounds to maintain the quality and safety of food products. It acts as an antioxidant agent. We aimed to nanoencapsulate TEO at concentrations of 1%, 3%, and 5% (v/w, dry basis) in electrospun nanofibers made of starch (50% w/v) and formic acid (75% v/v). The rheological parameters of the fiber-forming solutions were measured, and various physical and chemical properties of the nanofibers were analyzed., Results: The starch/TEO nanofibers presented homogeneous morphology. The starch nanofibers showed high encapsulation efficiency (EE, 99.1% to 99.8%), which, along with the Fourier transform infra-red (FTIR) spectrum and thermogravimetric analysis (TGA) analysis, indicate strong protection of the phenolic compounds of TEO. Nanofibers with 5% TEO retained up to 50% of the phenolic compounds after exposure to thermal treatment. The antioxidant activity against 2,2-diphenyl-1-picrylhydrazyl (DPPH) radicals of the starch/TEO nanofibers varied from 11.1% to 14.2% and the inhibition values (29.8%, P ≤ 0.05) against hydroxyl radicals were the same for free TEO and the nanofibers., Conclusion: Owing to these properties, electrospun starch/TEO nanofibers can be applied in food products or food packaging., (© 2020 Society of Chemical Industry.)

The problem of obtaining the geometrical configuration of a molecule that minimizes its potential energy is a very complicated one for a series of applications, ranging from determining the structure of biological macromolecules to nanoclusters of atoms. Global optimization tools are available for this task, and many of them are based in performing successive local optimizations, where the starting geometries for these steps are determined by an intelligent algorithm. Here we develop a method to save computing time in the optimization of nanoclusters by predicting if a given minimum has been previously visited during local optimization steps. Our application to Cu-Al nanoalloys indicates that it is possible to save a substantial amount of computational cost. The application also reveals new promising Al x Cu y clusters and explain their stabilities in terms of the jellium model.

The objective of this study was to generate and characterize physically cross-linked aerogels by using germinated and non-germinated wheat starch, with and without the addition of poly (ethylene oxide) (PEO). Aerogels were produced by gelatinization of starch (10% w/v, in distilled water) at 90 °C, followed by multiple freeze/thaw cycles. For the aerogel produced using starch and PEO, a solution of 6% PEO (0.6 g of PEO/10 mL of distilled water) was added to the dispersion. The thermal properties, infrared spectra, relative crystallinity, morphology, water absorption properties, and texture profile of the aerogels were evaluated. After immersion in water for 24 h, the aerogels exhibited high degradation temperature, water absorption capacity, and physical integrity. Aerogels produced using the germinated wheat starch were much more integrated structurally compared to the aerogels produced using the non-germinated wheat starch. Wheat germination did not have any impact on the textural parameters of the aerogels. However, addition of PEO increased the water absorption capacity and reduced the hardness and cohesion of the resulting aerogels. Due to the high water absorption potential, the aerogel produced in this study can serve as an absorbent matrix in food packaging., (Copyright © 2020 Elsevier B.V. All rights reserved.)

Background: Despite widespread use of ETT and vasodilator-stress with myocardial perfusion imaging (MPI) for noninvasive detection of flow-limiting coronary artery disease, there is continued need to improve diagnostic accuracy. We examined whether measurement of interlead T-wave heterogeneity (TWH) during exercise tolerance testing (ETT) or pharmacologic stress testing improves detection of stenoses in large epicardial coronary arteries., Methods: All 137 patients at our institution who underwent diagnostic coronary angiography within 0 to 5 days after ETT (N = 81) or dipyridamole IV infusion (N = 58) in 2016 were studied, including 2 patients with both tests. Cases (N = 93) had angiographically significant stenosis (≥50% of left main or ≥ 70% of an epicardial coronary artery ≥2 mm in diameter); controls (N = 44) did not. TWH, i.e., interlead splay of T waves, was determined by second central moment analysis from precordial leads by an investigator blinded to angiographic results., Results: At rest, TWH levels were similar for cases and controls. ETT and dipyridamole stress testing increased TWH by 69% (p < 0.0001) and 27% (p < 0.0001), respectively, in cases. In controls, TWH did not change. Areas under the ROC curves for TWH increase for any flow-limiting coronary artery stenosis were 0.737 (p < 0.0001) for ETT and 0.818 (p < 0.0001) for dipyridamole stress testing. By contrast, neither ST-segment changes during ETT (p = 0.12) nor MPI during dipyridamole stress testing (p = 0.60) discriminated cases from controls., Conclusions: TWH measurement is a novel method that improves detection of angiographically confirmed flow-limiting stenoses in large epicardial coronary arteries during both ETT and MPI during pharmacologic stress testing with dipyridamole., (Copyright © 2019 Elsevier B.V. All rights reserved.)

A new procedure is suggested to improve genetic algorithms for the prediction of structures of nanoparticles. The strategy focuses on managing the creation of new individuals by evaluating the efficiency of operators ( o 1 , o 2 ,…, o 13 ) in generating well-adapted offspring. This is done by increasing the creation rate of operators with better performance and decreasing that rate for the ones which poorly fulfill the task of creating favorable new generation. Additionally, several strategies (thirteen at this level of approach) from different optimization techniques were implemented on the actual genetic algorithm. Trials were performed on the general case studies of 26 and 55-atom clusters with binding energy governed by a Lennard-Jones empirical potential with all individuals being created by each of the particular thirteen operators tested. A 18-atom carbon cluster and some polynitrogen systems were also studied within REBO potential and quantum approaches, respectively. Results show that our management strategy could avoid bad operators, keeping the overall method performance with great confidence. Moreover, amongst the operators taken from the literature and tested herein, the genetic algorithm was faster when the generation of new individuals was carried out by the twist operator, even when compared to commonly used operators such as Deaven and Ho cut-and-splice crossover. Operators typically designed for basin-hopping methodology also performed well on the proposed genetic algorithm scheme., (Copyright © 2019 Silva, Silva and Belchior.)

Purpose: To prospectively evaluate the dynamic changes of the full-field electroretinogram (ff-ERG) and its association with inflammatory signs in patients with Vogt-Koyanagi-Harada disease (VKHD) followed up after acute onset., Methods: Twelve acute VKHD patients, who were followed up for at least 24 months, were enrolled at a tertiary center from June 2011 to January 2017. Treatment consisted of intravenous methylprednisolone followed by 1 mg/kg/day of oral prednisone with a slow tapering associated with late non-steroidal immunosuppressive therapy in previously defined cases. Inflammation was systematically evaluated with clinical and posterior segment imaging (PSI) exams (fluorescein angiography, FA, indocyanine green angiography, ICGA, enhanced depth imaging optical coherence tomography, EDI-OCT). A ff-ERG was performed upon enrollment as well as at predefined intervals. Scotopic ff-ERG parameters changes between the 12th and 24th months defined the ERG-stable or ERG-worsening groups. "Flare" was defined as an appearance or worsening of inflammatory signs (after the initial 6 months following disease onset) under the predefined treatment protocol., Results: ff-ERG parameters initially improved in all eyes; in the evaluation between the 12th and 24th months, ff-ERG results were stable in 17 eyes (71 %) and worsened in 7 eyes (29 %). Subnormal ff-ERG results were observed in 15 eyes (62 %) at the 24th month. On the other hand, the flare was observed in 8 eyes (33 %) as cells in the anterior chamber and in 24 eyes (100 %) as any PSI inflammatory sign. The ERG-worsening group presented thicker subfoveal choroid at the first month (p = 0.001) and fluctuations in choroidal thickness more often during follow-up when compared to the ERG-stable group (p = 0.02)., Conclusions: Scotopic ff-ERG parameters worsened between the 12th and 24th months in a quarter of the patients. Subclinical inflammation detected as an increase in CT seems to be related to worsening in visual function measured with ffERG.

Neurons are continuously produced at different rates and locations in the teleost retina. Goldfish rods are homogeneously distributed and maintain a stable density throughout growth, whereas little is known about their postsynaptic partners. We examined the distribution and density of mixed-input ON bipolar cells (ON mBCs) in 57 goldfish of various sizes by immunolabeling their retinas with an antibody against PKCα and counting PKCα-positive neurons in wholemounts. Cell densities were correlated with morphometric data for the same animals, and the spatial resolution of the ON mBC mosaic was calculated in each case. The distribution of ON mBCs is homogeneous throughout growth. For a 10-fold change in body size (i.e., from 20 to 200 mm), the total number of ON mBCs increases 2.8 times, while retinal area expands around 10 times. As a consequence, the density of ON mBCs in large fish falls to ∼1/3 of that of small animals, and intercellular spacing doubles. The eye and the lens become around three times larger from small to large fish. This causes the retinal magnification factor (and thereby the image projected onto retina) to augment by the same amount. Because the retinal magnification factor rises more than the intercellular spacing in the same animals, the spatial resolution of the ON mBC mosaic improves from 0.8 to 1.4 cycles/degree as the body size increases from 20 to 200 mm. As ON mBCs are mostly rod-driven, our results suggest that the scotopic acuity of the goldfish may improve as the animal grows., (© 2018 Wiley Periodicals, Inc.)

Lippia species share various pharmacological activities and are used in traditional cooking and medicine worldwide. Combined chromatographic techniques such as column chromatography, high-performance liquid chromatography, and countercurrent chromatography led to the purification of two new antifungal phenylpropanoid glycosides, lippiarubelloside A (1) and lippiarubelloside B (2), by bioactivity-directed fractionation of an ethanol-soluble extract from Lippia rubella, in addition to the known active related compounds forsythoside A (3), verbascoside (4), isoverbascoside (5), and poliumoside (6). The structures of compounds 1 and 2 were determined by comparison of their NMR spectroscopic data with the prototype active compound 4. Cryptococcus neoformans, which causes opportunistic lung infections, was sensitive to compounds 1-6 in the concentration range of 15-125 μg/mL. A synergistic effect (FIC index = 0.5) between 3 and amphotericin B was demonstrated. The glycosylated flavonoids pectolinarin (7), linarin (8), and siparunoside (9) were also isolated.

An increasing number of studies have shown the ability of organisms to escape from toxic effects due to contamination, by moving spatially towards less contaminated habitats. However, this issue has been investigated in monospecific scenarios, without considering possible interactions between species during the contamination avoidance process. It is widely known that the spatial distribution of one species can be affected by another one, in different ways. Therefore, the main question addressed in the present study was as follows: Might interspecific interaction between the freshwater fish Danio rerio (zebrafish) and Poecilia reticulata (guppy) change their behavior patterns in terms of avoidance in the presence of a copper gradient? Zebrafish and guppies exposed to a copper gradient were tested for avoidance responses in a free-choice, non-forced, static, multi-compartmented exposure system, using two distinct approaches: (1) monospecific tests, in which only one species was exposed to the copper gradient, at two different population densities; and (2) multispecific tests, in which both species were tested simultaneously. In the control (with no copper) monospecific tests, both species were randomly distributed; however, in the control multispecific test, P. reticulata tended to aggregate. In the monospecific tests with a copper gradient, both species avoided copper in a similar way, with AC 50 (concentration triggering avoidance in 50% of the exposed population) values between 15 and 18 μg·L -1 , irrespective of the population density. However, in the multispecific tests, P. reticulata displaced D. rerio to previously avoided copper levels, consequently increasing the AC 50 of D. rerio to 75 μg·L -1 . This study shows the importance of understanding the interactions among species in contaminated areas, and the way that one species can prevent the avoidance behavior of another., (Copyright © 2018 Elsevier B.V. All rights reserved.)

The concept of random coordination ratios, RCRs, is advanced for lanthanide complexes. RCRs describe the relative probabilities of occurrence of subsets of stereoisomers of same-symmetry point groups in the limiting situation when energetic effects are equivalent. We then introduce a method to uniquely identify the stereoisomer of the coordination polyhedron of a given crystallographic structure and introduce a notation that fully characterizes its stereochemistry in an unambiguous manner, from which absolute configuration naturally follows. De facto, the coordination chirality in lanthanide complexes is a frequently overlooked property, even though these compounds often exhibit, when luminescent, high dissymmetry factors. With our methodology, we even managed to recognize a known dilanthanide complex as a meso compound, with both metal ions functioning as stereogenic centers. To achieve these results, we enumerate all possible stereoisomers of lanthanide complexes with coordination numbers from 4 to 9 for all combinations of monodentate, symmetric and asymmetric bidentate ligands, and for several shapes of coordination polyhedra. We confirmed the number of stereoisomers for each case by means of Pólya's theorem. We further classified all stereoisomers according to their symmetry point groups and generated their Cartesian coordinates. This collection of all coordination polyhedra stereoisomer geometries, which is made available in the Supporting Information , can also be used to easily build starting-point geometries for theoretical calculations of metal complexes.

The DFT potential energy hypersurfaces of closed-shell nitrogen clusters up to ten atoms are explored via a genetic algorithm (GA). An atom-atom distance threshold parameter, controlled by the user, and an "operator manager" were added to the standard evolutionary procedure. Both B3LYP and PBE exchange-correlation functionals with 6-31G basis set were explored using the GA. Further evaluation of the structures generated were performed through reoptimization and vibrational analysis within MP2 and CCSD(T) levels employing larger correlation consistent basis set. The binding energies of all stable structures found are calculated and compared, as well as their energies relative to the dissociation into N 2 , [Formula: see text] and [Formula: see text] molecules. With the present approach, we confirmed some previously reported polynitrogen structures and predicted the stability of new ones. We can also conclude that the energy surface profile clearly depends on the calculation method employed.

Introduction: GSK has developed a two-dose adjuvanted recombinant zoster vaccine (Shingrix, RZV) to protect people aged ≥50 years (50+) against herpes zoster (HZ) and its complications. RZV showed >90% efficacy against HZ, sustained over 4 years of follow-up, in all studied age groups., Areas Covered: This article reviews the scientific rationale underlying the design of RZV; the clinical evidence demonstrating immunogenicity, safety, and efficacy in persons 50+; and the public health implications and cost-effectiveness., Expert Commentary: A decline in varicella zoster virus (VZV) immunity is associated with increased risk of HZ in adults 50+ and immunocompromised individuals. RZV was designed to restore levels of anti-VZV cellular and humoral immunity to prevent VZV reactivation. RZV includes the recombinant gE glycoprotein antigen, and Adjuvant System AS01 B  which promotes cellular and antibody responses. In two Phase III studies in subjects aged 50+ and 70+ years, RZV efficacy against HZ compared to placebo was >90% and ≥89% against post-herpetic neuralgia (PHN). RZV is expected to dramatically impact HZ morbidity including its complications, and associated health-care costs. In the US population aged 50+ years, vaccination with RZV can be cost-effective compared to no vaccination and cost-saving compared to the currently available live-attenuated HZ vaccine (Zostavax, Merck).

Bisphenol A (BPA) is an emerging contaminant widely used in various industrial products. Sublethal toxicity of BPA on aquatic organisms is expected to occur at a concentration of around 500 μg L -1 , which is much higher than environmentally realistic concentrations found in water bodies (up to 0.41 μg L -1 ). However, there is no information concerning how a BPA contamination gradient could affect the spatial displacement of organisms. We hypothesized that fish might be able to detect an environmentally realistic BPA contamination gradient and avoid potential toxic effects due to continuous exposure. Therefore, the objectives of this work were: (i) to determine if BPA could trigger an avoidance response in the freshwater fish Poecilia reticulata; (ii) to assess whether BPA-driven avoidance occurs at environmentally relevant concentrations; and (iii) to estimate the population immediate decline (PID) at the local scale, considering avoidance and mortality as endpoints. Avoidance experiments were performed in a seven-compartment non-forced exposure system, in which a BPA contamination gradient was simulated. The results indicated that BPA triggered avoidance in P. reticulata. In a traditional forced acute toxicity test, lethal effects in 50% of the population occurred at a BPA concentration of 1660 μg L -1 , while in the non-forced system with a BPA concentration gradient, avoidance of 50% of the population occurred at a concentration four orders of magnitude lower (0.20 μg L -1 ). At environmentally relevant BPA concentrations, PID was mainly determined by the avoidance response. Avoidance in P. reticulata populations is expected to occur at BPA concentrations below those that cause sublethal effects on fish and are considered safe by international agencies (≤1 μg L -1 ). The approach used in the present study represents a valuable tool for use in environmental risk assessment strategies, providing a novel and ecologically relevant response that is complementary to traditional ecotoxicological tests., (Copyright © 2018 Elsevier B.V. All rights reserved.)

The potential reproductive and developmental toxicity of the synthetic oligodeoxynucleotide (ODN) CpG 7909, a component of GSK's AS15 immunostimulant, was examined in rat and rabbit studies following intermittent intramuscular injections. Previous studies using subcutaneous and intraperitoneal injections in mice, rats and rabbits revealed that CpG ODNs induced developmental effects. To analyze the safety signal, GSK conducted additional animal studies using the intended clinical route of administration. CpG 7909 injections were administered intramuscularly to rats or rabbits 28 and 14days before pairing, on 4 or 5 occasions during gestation, and on lactation day 7. The No Observed Adverse Effect Level for female fertility, embryo-fetal and pre- and post-natal development was 4.2mg/kg in both species, approximately 500-fold higher than the anticipated human dose. In conclusion, the anticipated risk to humans is considered low for sporadic intramuscular exposure to CpG 7909., (Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.)

Triclosan (TCS) is an emerging contaminant of concern in environmental studies due to its potential adverse effects on fish behavior. Since avoidance has been shown to be a relevant behavioral endpoint, our aims were: (i) to determine if TCS is able to trigger an avoidance response in Poecilia reticulata; (ii) to predict the population immediate decline (PID) caused by TCS exposure, by integrating lethality and avoidance responses; and (iii) to verify the overestimation of risk when mortality is assessed under forced exposure. Fish were exposed to TCS in a forced exposure system, to assess mortality, and to a TCS gradient in a non-forced exposure (NFE) system. Two NFE scenarios were simulated: (#1) a spatially permanent gradient, including low and high concentrations; and (#2) a scenario with high concentrations, simulating a local discharge. The fish avoided TCS concentrations as low as 0.2 μg L -1 (avoidance of 22%). The AC50 obtained from scenario #1 (8.04 μg L -1 ) was about 15 times more sensitive than that from scenario #2 (118.4 μg L -1 ). In general, up to the highest concentration tested (2000 μg L -1 ), the PID was determined by the avoidance. Mortality from the forced exposure was overestimated (48 h-LC50 of 1650 mg L -1 ), relative to the NFE. The reduced mortality in a non-forced environment does not imply a lower effect, because part of the population is expected to disappear by moving towards favorable environments. TCS is a potential environmental disturber, since at environmentally relevant concentrations (<2 μg L -1 ) it could cause a decline in the fish population., (Copyright © 2017 Elsevier Ltd. All rights reserved.)

Background: We hypothesized in this study that transcranial direct current stimulation (tDCS) of primary motor cortex could exert top-down modulation over subcortical systems associated with autonomic control and thus be useful to revert some of the dysfunctional changes found in the autonomic nervous system (ANS) of subjects with spinal cord injuries (SCI)., Objective: To explore the acute effect of tDCS on ANS indexed by Heart Rate Variability (HRV) in individuals with SCI and analyze whether this effect depends on the gender, degree, level and time of injury., Methods: In this randomized, placebo-controlled, crossover, double-blinded study, 18 adults with SCI (32.9±7.9 years old) were included; the intervention consisted of a single 12-minute session of active tDCS (anodal, 2 mA) and a control session of sham tDCS applied over Cz (bihemispheric motor cortex). HRV was calculated using spectral analysis. Low-frequency (LF), high-frequency (HF), and LF/HF ratio variables were evaluated before, during, and post tDCS., Results: A two-way repeated measures ANOVA showed that after active (anodal) stimulation, LF/HF ratio was significantly increased (P = 0.013). There was a trend for an interaction between time and stimulation for both LF and HF (P = 0.052). Paired exploratory t-tests reported effects on the difference of time [post-pre] between stimulation conditions for LF (P = 0.052), HF (P = 0.052) and LF/HF (P = 0.003)., Conclusion: Anodal tDCS of the motor cortex modulated ANS activity in individuals with SCI independent of gender, type and time of lesion. These changes were in the direction of normalization of ANS parameters, thus confirming our initial hypothesis that an enhancement of cortical excitability by tDCS could at least partially restore some of the dysfunctional activity in the ANS system of subjects with SCI.

Introduction:: Group B streptococcus (GBS) or Streptococcus agalactiae can colonize the gastrointestinal and genitourinary tracts and has been considered one of the most important risk factors for the development of neonatal disease. The present study evaluated the antimicrobial susceptibility of GBS isolates from pregnant women who were attended at a public health service in Northern Paraná, Brazil., Methods:: A descriptive analytical cross-sectional study was performed with 544 pregnant women, at ≥ 35 weeks of gestation. One hundred and thirty-six GBS isolates from pregnant women were tested for antimicrobial susceptibility., Results:: All of the GBS isolates showed susceptibility to the drug that is most frequently used for intrapartum prophylaxis: penicillin. Resistance to clindamycin and erythromycin was detected, thus decreasing the options of prophylaxis in women who are allergic to penicillin., Conclusions:: Additional studies should be conducted to increase the knowledge of GBS sensitivity profile to antimicrobials in other health centers., Competing Interests: The authors have stated explicitly that there are no conflicts of interest regarding this article.

Chagas disease, caused by Trypanosoma cruzi, is a parasitosis that predominates in Latin America. It is estimated that 25 million people are under the risk of infection and, in 2008, more than 10 thousand deaths were registered. The only two drugs available in the therapeutics, nifurtimox and benznidazole, showed to be more effective in the acute phase of the disease. However, there is no standard treatment protocol effective for the chronic phase. Nitrofurazone (NF), an antimicrobial drug, has activity against T. cruzi, although being toxic. Considering the need for new antichagasic drugs, the existence of promising new therapeutic targets, as 14α-sterol demethylase and cruzain, and employing the bioisosterism and molecular hybridization approaches, four novel compounds were synthesized, characterized by melting point range, elemental analysis, IR and NMR spectroscopy. The compounds were tested against T. cruzi amastigotes in infected U2OS cells. All compounds showed selectivity towards T. cruzi and showed trypanomicidal activity in low micromolar range. The compound 3 showed potency similar to benznidazole, but lower efficacy. These results highlight the importance of the 1,2,4-triazole, thiosemicarbazonic and nitro group moieties for designing new efficient compounds, potentially for the chronic phase of Chagas disease., (Copyright © 2016 Elsevier Masson SAS. All rights reserved.)

Vogt-Koyanagi-Harada disease (VKHD) is a rare granulomatous inflammatory disease that affects pigmented structures, such as eye, inner ear, meninges, skin and hair. This disease is mainly a Th1 lymphocyte mediated aggression to melanocytes after a viral trigger in the presence of HLA-DRB1*0405 allele. The absence of ocular trauma or previous intraocular surgery sets VKHD appart from sympathetic ophthalmia, its main differential diagnosis. The disease has an acute onset of bilateral blurred vision with hyperemia preceded by flu-like symptoms. The acute uveitic stage is characterized by a diffuse choroiditis with serous retinal detachment and optic disc hyperemia and edema. Fluorescein angiography in this phase demonstrates multiple early hyperfluorescent points. After the acute uveitic stage, ocular and integumentary system pigmentary changes may appear. Ocular findings may be accompanied by lymphocytic meningitis, hearing impairment and/or tinnitus in a variable proportion of patients. Prompt diagnosis followed by early, aggressive and long-term treatment with high-dose corticosteroids is most often ensued by good visual outcomes. However, some patients may experience chronic uveal inflammation with functional eye deterioration. The current review discusses the general features of VKHD, including epidemiology, classification into categories, differential diagnosis and current therapeutic approaches.

Ethnopharmacological Relevance: Due to the rise in obesity, the necessity for resources and treatments that could reduce the morbidity and mortality associated to this pandemia has emerged. The development of new anti-obesity drugs through herbal sources has been increasing in the past decades which are being used not only as medicine but also as food supplements. Previous studies with the aqueous extract of Chrysobalanus icaco L (AECI) have demonstrated activity on lowering blood glucose levels and body weight., Aim of the Study: Investigate C. icaco effects in overall adiposity and glycemic homeostasis., Material and Methods: C57BL/6J mice were randomly assigned to standard chow (SC) or high-fat diet (HFD) and treated with AECI in 0.35mg/mL or 0.7mg/mL concentrations ad libitum. Food intake, feed efficiency, metabolic efficiency, body, fat pads and gastrocnemius weight, adiposity index, serum lipids, fecal lipid excretion, locomotor activity in the open field test and insulin and glucose tolerance tests were analyzed and compared. The major components of the extract were demonstrated through HPLC and its antioxidant activity analyzed through DPPH and lipid peroxidation., Results: The AECI in the 0.35mg/mL concentration did not affect food intake or body weight. However, it promoted lower adipose tissue gain, TG levels, and fecal lipid excretion, increased locomotor activity and lean mass weight, and normalized insulin sensitivity and glucose tolerance. Moreover, AECI showed the presence of myricetin 3-O-glucuronide, rutin, quercitrin and myricitrin and demonstrated high-antioxidant activity., Conclusions: AECI in lower concentrations can prevent fat storage or enhance fat utilization through the increase of locomotor activity. Also, this reinforces its ability to maintain glucose homeostasis through the normalization of insulin sensitivity and glucose tolerance despite the high-fat diet intake. These activities could be associated to the extract's polyphenol content., (Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.)

Hydrogen is a promising alternative for the increased global energy demand since it has high energy density and is a clean fuel. The aim of this work was to evaluate the photo-fermentation by Rhodobacter capsulatus, using the dark fermentation effluent as substrate. Different systems were tested by changing the type of sugar in the dark fermentation, investigating the influence of supplementing DFE with sugar and adding alternate and periodically lactose and glucose throughout the process. The supplementation of the DFE with sugar resulted in higher H2 productivity and the replacement of the sugars repeatedly during the photo-fermentation process was important to maintain the cell culture active. By controlling the residual amount of sugar, bacteria inhibition was avoided; lactic acid, that was toxic to the biomass, was consumed and the metabolic route of butyric acid production was predominant. Under optimum conditions, the H2 productivity reached 208.40mmolH2/Ld in 52h., (Copyright © 2015 Elsevier Ltd. All rights reserved.)

The pharmacist Theodoro Peckolt was one of the most important figures in the history of the chemistry of natural Brazilian products. Like other nineteenth-century pharmacists in Brazil, he developed formulations and sold them at his pharmacy in Rio de Janeiro, and these enjoyed great prestige in the eyes both of the public and the medical community. The article discusses the relation between the illness originally called "opilação" (ancylostomiasis, or hookworm) and nineteenth-century treatment. It focuses especially on Peckolt Pharmacy's "Doliarina and iron powder," a formulation extracted from the Ficus gomelleira rubber plant. One of the article's goals is to use modern methods to analyze Ficus gomelleira and identify the chemical composition of the drug.

Purpose: To report the effect of the transcranial direct current stimulation (tDCS) applied over the primary motor cortex (M1) of an individual, a sedentary male subject with complete chronic spinal cord injury at the T11-T12 levels., Methods: The individual underwent three experimental sessions: control, sham and anodal tDCS. Before, during and after exercise sessions, the following variables were recorded: heart rate variability, Rating of Perceived Exertion (RPE), power and glucose (this one only before and after the exercise)., Results: The anodal tDCS provided greater exercise time and power, lower perceived exertion, greater reduction in glucose, and an increase in time to reach the threshold of heart rate variability., Conclusions: tDCS caused an improvement in the exercise tolerance, probably due to the modulation of the autonomic nervous system and the pain, characterized by reduced RPE., (Copyright © 2015 Elsevier B.V. All rights reserved.)

Background: Age-related macular degeneration (AMD) is a disease that causes reduced visual acuity and blindness. The new treatment options for AMD are not provided by the Brazilian public health system., Objective: To conduct a budget impact analysis of three scenarios for the introduction of AMD treatments: all the medications (verteporfin, ranibizumab, and bevacizumab-the reference scenario), ranibizumab alone, and bevacizumab alone., Methods: The basic assumption was that the Brazilian public health system would treat the entire target population with AMD aged > 70 years between 2008 and 2011. The size of the population of interest was estimated from official population projections and the prevalence of the disease was obtained from a systematic review. Medication prices were estimated by weighting their market values with correction factors to take account of the public procurement policy. The possibility of aliquoting bevacizumab was also considered. A panel of experts was consulted to estimate the market share of the different medications for the reference scenario. The incremental costs of the ranibizumab-alone and bevacizumab-alone scenarios compared to the reference scenario were calculated. Univariate sensitivity analyses were run to check the robustness of the model., Results: In four years, the Brazilian public health system would have treated 1,136,349 individuals with AMD. The annual costs of treating one patient would have been US$476.65 for bevacizumab, US$11,469.39 for ranibizumab, and US$4,376.28 for verteporfin. The incremental cost of the ranibizumab-alone scenario would have been US$1,878,318,056.00 in four years, while the incremental cost for the bevacizumab-alone scenario would have been a reduction of US$4,978,326,359.00 (i.e., a cost saving) in the same period. The bevacizumab-alone option was found to represent a cost saving across sensitivity analyses., Conclusion: The introduction of bevacizumab for the treatment of AMD is recommended for the Brazilian Public Health System.