Designing Artemisinins with Antimalarial Potential, Combining Molecular Electrostatic Potential, Ligand-Heme Interaction and Multivariate Models

Artemisinins tested against W-2 strains of malaria falciparum are investigated with molecular electrostatic potential (MEP), in an attempt to identify key features of the compounds that are necessary for their activities, as well as to investigate likely interactions with the receptor in a biological process and to use that information to propose new molecules. In order to discover the best geometry involving the ligand-receptor complexes (heme) studied and help in the proposition of the new derivatives, molecular simulations of interactions between the most negative charged region around the peroxide and heme locates (the ones around the Fe2+ ion) were carried out. In addition, PCA (principal components analysis), HCA (hierarchical cluster analysis), SDA (stepwise discriminant analysis), and KNN (K-nearest neighbor) multivariate models were employed to investigate which descriptors are responsible for the classification between the higher and lower antimalarial activity of the compounds, and also this information was used to propose new potentially active molecules. The information accumulated in studies of MEP, molecular docking, and multivariate analysis supported the proposal of new structures with potential antimalarial activities. The multivariate models constructed were applied to the new structures and indicated numbers 19 and 20 as the most prominent for syntheses and biological assays.

Genetic Diversity of Uropathogenic Escherichia coli Isolated from Human T Lymphotropic Virus Type I (HTLV-I) Infected Individuals

Urinary tract infection (UTI) is a frequent pathology among HTLV-I+ individuals being capable of severely compromising the kidneys and bladder. Molecular characteristics of uropathogenic Escherichia coli (UPEC) from HTLV-I+ infected individuals are unknown. UPEC isolates from HTVL-I+ individuals, with and without clinical symptoms of myelopathy, were submitted to genetic typing seeking to infer bacterial diversity and potential virulence. 71 bacterial isolates were characterized according to random amplified polymorphic DNA and phylotypes. Phylotyping classified E. coli into four phylogenetic groups: A (18.3%), B1 (16.9%), B2 (39.4%), and D (25.3%) and 8 phylotypes according to the presence of the genetic sequences chuA, yjaA and the DNA fragment TSPE4.C2: ﹣﹣﹣ (5.6%) and ﹣+﹣ (12.6%) in phylogroup A, ﹣﹣+ (7.0%) and ﹣++ (9.8%) in B1, +++ (32.3%) and ++﹣ (7.0%) in B2, +﹣﹣ (15.4%) and +﹣+ (9.8%) in D. The B2 phylogroup was the most prevalent among HTLV﹣ associated myelopathy and asymptomatic individuals. RAPD-PCR typing revealed a high degree of bacterial polymorphism indicating a non-clonal origin. Genotypes were not found to be distributed according to clinical status or epidemiological features. Our results lead us to suggest that the neurological impairment in HTLV-I+ individuals can be a risk factor for urinary infections due E. coli which are caused by distinct bacterial lineages.

Serological Evidence of Human Coinfection by Brazilian Spotted Fever and Bartonellosis

Brazilian spotted fever and bartonellosis are zoonotic, emerging and under diagnosed diseases. Pets may be co-infected by multiple pathogens and become transmissions sources to humans. The study reports the first case of active co-infection by Brazilian spotted fever and bartonellosis based on serological evidence. The authors aim to demonstrate the importance of performing systematic syndromic investigations on nonspecific febrile syndromes, guided by the epidemiological history and considering the possibility of co-infection by zoonosis sharing the same ecological niche.

The Role of States in Controlling the Obesity Epidemic, and a Personal Autonomy to Decide

Obesity has reached pandemic proportions in the world. Who is to blame for this: the person or the State (or both?). An increase in diseases associated with excess weight is also worldwide reported, such as Diabetes, Hypertension and some types of cancers. Therefore, the economic impacts of these comorbidities are an important issue to be discussed by States and citizens. Although the World Health Organization (WHO) has set and classified obesity as a disease more than 30 years ago, the American Medical Society was until recently (2010) not so sure about this definition. This article discusses the relevance of the implementation of public health policies for prevention and control of obesity, along with the possible ethical limitations to these actions, considering the autonomy of individuals regarding their health.

Climate Characterization of the Machado-Mg Region through Geotechnology Techniques and Tools

The characteristics of a region and its environmental changes are directly associated with the characteristics of the climate and the changes that occur in it. The importance of the study of the climate of a region is widely known in agriculture, by the size of the impact that the climate has on the productivity and final quality of the products. From the studies of these spatial and temporal changes in climatic and environmental information, excellent results have been obtained in understanding the variability of atmospheric phenomena that occur throughout. The objective of the present work was to perform the climatic characterization of the Machado-MG region, analyzing data collected on the elements of the climate, applying methodologies that allow its spatialization, from geotechnology tools, more precisely, the techniques of interpolation and manipulation of spatial data in the Geographic Information Systems (GIS) environment. For this purpose, it has been used the climatic data obtained from meteorological stations of the National Institute of Meteorology-INMET, located in the state of Minas Gerais, referring to the monthly and annual averages of a historical series of 55 years (1961-2015). The results obtained allowed to characterize the climate of the municipality, which presented an average temperature around 15°C to 25°C and with average rainfall between 100 - 200 mm in the rainiest periods. The relative humidity of the air presents throughout the year values in the average of 60% to 80%. From the spatialization maps of temperature, precipitation and relative humidity of the air, it becomes possible to analyze the spatial behavior of the climatic elements and thus to have the perception of the climate dynamics in the region.

Highway Infrastructure, Protected Areas, and Orchid Bee Distribution and Conservation in the Brazilian Amazon

Scientists regularly lament that development and habitat destruction in once isolated and distant areas are promoting species extinction before species can even be known by science. In the Brazilian Amazon, the government’s Plan for Growth Acceleration in part involves major improvements and expansion of highways. Such infrastructure has long been linked to the main causes of deforestation in this region. It is essential for scientists to assess where to target bio-diversity collections in relation to the location of road development and existing protected areas. The objective of this study was to amass all of the records of occurrence of orchid bees in digital form, in order to obtain a spatial picture of our knowledge thus far and to make recommendations about priority areas for future collections and the role of protected areas in species conservation. The collection data used for this study come from various collection efforts, and were also gathered from the literature. The collection data were then imported into a Geographic Information System, making it possible to integrate other spatial data layers such as highways, conservation units, indigenous lands and forest cover. Results show a major need for collections along the BR 163 and BR 230 highways, heavily deforested areas with few conservation units. We suggest the creation of conservation units and recommend that abandoned areas be allowed to remain fallow as a way to help save additional biodiversity in the area of influence of these two main highways.

<i>Schistosoma mansoni</i>: Phytochemical Effect on Aquatic Life Cycle

Background: Two aspects need to be considered for schistosomiasis control: morbidity and transmission. In this context, many soluble substances have been tested and Euphorbia milii latex is one of the most promising Brazilian molluscicides. Phytochemical studies involving simulation of the applicability of this latex on all aquatic forms of the S. mansoni life cycle are rare in the literature. The aim of this work was to evaluate the effect of E. milii latex on S. mansoni in the egg, miracidium and different developmental stages in Biomphalaria glabrata. Methods: The laboratory study was designed to simulate the different forms of exposure of the life cycle stages of S. mansoni to the LC50 of E. milii latex;we tested the exposition from four situations of S. mansoni contact with the latex and observed the exposure on different snails’ infection stage too. All snails were analyzed weekly for cercarial shedding and reproductive biology. Results: The results showed that contact of S. mansoni eggs and miracidia with the LC50 of E. milii negatively influenced the development of the parasite life cycle in the intermediate host, with consequent reduction of cercarial shedding. The exposure of infected snails affected the reproductive biology and cercarial shedding in all intra-mollusk development stages of S. mansoni, but the reduction was greater in the first, fourth, fifth, sixth, seventh and eighth weeks of infection. The LC50 of E. milii latex had toxic action on eggs and miracidia, and the number of cercariae shed by snails during the study period declined by about 80%. Conclusions: We can conclude that the use of natural biodegradable compounds containing low concentrations of substances already characterized as having eco-toxico- logical potential can be an important tool to reduce the transmission of Schistosomiasis.

Influence of Time Complementarity on Energy Storage through Batteries in Hydro PV Hybrid Energy System

The notion of energetic complementarity can be a tool for energy resource managers to prioritize energy generation projects based on renewable resources in both interconnected and independent systems. As a tool in decision-making, it is important to know better the influence of energetic complementarity on the performance of hybrid systems especially with regard to energy shortages but also in relation to other parameters. In recent years, hydro PV hybrid systems have become a growing target of researchers and designers for the idea of installing photovoltaic modules on the water surface of reservoirs. Energetic complementarity has three components: time-complementarity, energy-amplitude and amplitude-complementarity. This paper is dedicated to the study of the influence of time-complementarity on the storage of energy through batteries in hydro PV hybrid systems. The method applied is in the literature and suggests the simulation of the system under study with the idealization of energy availabilities, to remove the effects of climatic variations and the characteristic intermittency of renewable resources. Simulations were performed with the well-known software Homer. The results provided the variations of the states of charge of the batteries as a function of different time-complementarities, indicating as expected better performances associated to higher time-complementarities. The results indicated that the cost of energy for a hybrid system with 28 batteries was equal to US$ 0.502 per kWh and that this cost increased as the time complementarity between energy resources moved away from the situation corresponding to full complementarity. The simulations also showed that the maintenance of the zero failure condition supplying the demands of the consumer loads requires that the load be reduced to 52% if the complementarity is reduced from the full complementarity to zero complementarity, with the cost of energy going from US$ 0.502 per kWh to US$ 0.796 per kWh. The results also allow a better understanding of the influence of time complementarity on the performance of hybrid systems.

A Hydro PV Hybrid System for the Laranjeiras Dam (in Southern Brazil) Operating with Storage Capacity in the Water Reservoir

Seasonal variability coupled with the intermittency of renewable energy sources makes reservoir hydroelectric plants an interesting option to consider in hybrid energy systems, especially in cases of dams that have not been completed or have been abandoned and which still have some potential for reuse. The Laranjeiras dam was completed in the 1960s and the original project for hydroelectric power generation was not completed, made impossible by economic changes during the construction years. A recent study proposed the implementation of a hydroelectric photovoltaic hybrid system with lower horsepower to allow the dam to be made useful again. This paper presents the results of the computational simulations with the software Homer, considering the operation of the hydroelectric component (of the proposed hybrid system) with reservoir, playing the role of energy storage device when the production exceeds the demand at a given moment, reducing the loss of energy due to unavailability of demand. The study suggested to implement a hydroelectric power plant with power house at the base of the dam that has a height of 20 m, operating at a minimum flow of 9171 L/s, with reservoir operating as a device for energy storage, operating with a photovoltaic system of 360 kW, and a power limit for the purchase of energy from the grid equal to 200 kW, providing consumer loads up to 40 MWh per day, with cost of energy equal to US$0.021 per kWh and a capital cost of US$3285.617.