Molecular modeling databases: A new way in the search of protein targets for drug development

DBMODELING is a relational database of annotated comparative protein structure models and their metabolic, pathway characterization. It is focused on enzymes identified in the genomes of Mycobacterium tuberculosis and Xylella fastidiosa. The main goal of the present database is to provide structural models to be used in docking simulations and drug design. However, since the accuracy of structural models is highly dependent on sequence identity between template and target, it is necessary to make clear to the user that only models which show high structural quality should be used in such efforts. Molecular modeling of these genomes generated a database, in which all structural models were built using alignments presenting more than 30% of sequence identity, generating models with medium and high accuracy. All models in the database are publicly accessible at http://www.biocristalografia.df.ibilce.unesp.br/tools. DBMODELING user interface provides users friendly menus, so that all information can be printed in one stop from any web browser. Furthermore, DBMODELING also provides a docking interface, which allows the user to carry out geometric docking simulation, against the molecular models available in the database. There are three other important homology model databases: MODBASE, SWISSMODEL, and GTOP. The main applications of these databases are described in the present article. © 2007 Bentham Science Publishers Ltd.

Digital radiography for the inspection of weld seams of pipelines - better sensitivity

Conventional radiography, using industrial radiographic films, has its days numbered. Digital radiography, recently, has taken its place in various segments of products and services, such as medicine, aerospace, security, automotive, etc. As well as the technological trend, the digital technique has brought proven benefits in terms of productivity, sensitivity, the environment, tools for image treatment, cost reductions, etc. If the weld to be inspected is on a serried product, such as, for example, a pipe, the best option for the use of digital radiography is the plane detector, since its use can reduce the length of the inspection cycle due to its high degree of automation. This work tested welded joints produced with the submerged arc process, which were specially prepared in such a way that it shows small artificial cracks, which served as the basis forcomparing the sensitivity levels of the techniques involved. After carrying out the various experiments, the digital meth odshowed the highest sensitivity for the image quality indicator (IQI) of the wire and also in terms of detecting small discontinuities, indicating that the use of digital radiography using the plane detector had advantages over the conventional technique (Moreira et al. Digital radiography, the use of plane detectors for the inspection of welds in oil pipes and gas pipes.9th COTEQ and XXV National Testing Congress for Non Destructive Testing and Inspection; Salvador, Bahia, Brazil and Bavendiek et al. New digital radiography procedure exceeds film sensitivity considerably in aerospace applications. ECNDT; 2006; Berlin). The works were carried out on the basis of the specifications for oil and gas pipelines, API 5L 2004 edition (American Petroleum Institute. API 5L: specification for line pipe. 4th ed. p. 155; 2004) and ISO 3183 2007 edition (International Organization for Standardization, ISO 3183. Petroleum and gas industries - steel pipes for pi pelines transportation systems. p. 143; 2007). © 2010 Taylor & Francis.

E-commerce environment and trade promotion for Latin America: policy implications from East Asian and advanced economies' experiences

Includes bibliography

Analysis of agonist and antagonist effects on thyroid hormone receptor conformation by hydrogen/deuterium exchange

Thyroid hormone receptors (TRs) are ligand-gated transcription factors with critical roles in development and metabolism. Although x-ray structures of TR ligand-binding domains (LBDs) with agonists are available, comparable structures without ligand (apo-TR) or with antagonists are not. It remains important to understand apo-LBD conformation and the way that it rearranges with ligands to develop better TR pharmaceuticals. In this study, we conducted hydrogen/deuterium exchange on TR LBDs with or without agonist (T 3) or antagonist (NH3). Both ligands reduce deuterium incorporation into LBD amide hydrogens, implying tighter overall folding of the domain. As predicted, mass spectroscopic analysis of individual proteolytic peptides after hydrogen/ deuterium exchange reveals that ligand increases the degree of solvent protection of regions close to the buried ligand-binding pocket. However, there is also extensive ligand protection of other regions, including the dimer surface at H10-H11, providing evidence for allosteric communication between the ligand-binding pocket and distant interaction surfaces. Surprisingly, Cterminal activation helix H12, which is known to alter position with ligand, remains relatively protected from solvent in all conditions suggesting that it is packed against the LBD irrespective of the presence or type of ligand. T 3, but not NH3, increases accessibility of the upper part of H3-H5 to solvent, and we propose that TR H12 interacts with this region in apo-TR and that this interaction is blocked by T 3 but not NH3.Wepresent data from site-directed mutagenesis experiments and molecular dynamics simulations that lend support to this structural model of apo-TR and its ligand-dependent conformational changes. (Molecular Endocrinology 25: 15-31, 2011). Copyright © 2011 by The Endocrine Society.

Valor preditivo do potencial de implantação embrionário pela análise do perfil químico de meios de cultivo por espectrometria de massas (ESI-Q-ToF)

Objective: This case-control study analyzed mass spectrometry fingerprinting patterns of culture media samples used for embryo culture to predict embryo implantation. Methods: The culture medium harvested after embryo transfer of 22 embryos from 13 patients was used for the experiments. After embryo transfer, the remaining culture media were collected and samples were split in positive (n=8) and negative (n=14) implantation groups according to implantation outcomes (100% or 0% of implantation). Samples were individually diluted and injected directly to the Electrospray ionization (ESI) MS coupled to a Quadrupole Time-of-flight MS (Q-ToF-MS).Ions relative intensities of each spectrum were considered. Data analysis was conducted in MatLab 7.0 version using Partial Least Squares - Discriminant Analysis toolbox. Results: There were 3027 observed ions at 100% and 0% implantation groups by ESI-Q-ToF-MS. The statistical model could categorize the samples in two clusters, based on their positive and negative implantation outcomes. Less intense ions present in the mass spectra with statistical significance have contributed to the major differences to group distinction. Conclusions: Positive and negative implantation embryos showed a specific biochemical pattern present in culture media, which could be detected as a fast, simple and non-invasive way. This biochemical profile could help the selection of the most viable embryo, improving single embryo transfer and thus eliminating the risk and undesirable outcomes of multiple pregnancies. © Todos os direitos reservados a SBRA - Sociedade Brasileira de Reprodução Assistida.

The aster mission: Exploring for the first time a triple system asteroid

2001 SN263 is a triple system asteroid. Although it was discovery in 2001, in 2008 astronomical observation carried out by Arecibo observatory revealed that it is actually a system with three bodies orbiting each other. The main central body is an irregular object with a diameter about 2.8 km, while the other two are small objects with less than 1 km across. This system presents an orbital eccentricity of 0.47, with perihelion of 1.04 and aphelion of 1.99, which means that it can be considered as a Near Earth Object. This interesting system was chosen as the target for the Aster mission - first Brazilian space exploration undertaking. A small spacecraft with 150 kg of total mass, 30 kg of payload with 110 W available for the instruments, is scheduled to be launched in 2015, and in 2018 it will approach and will be put in orbit of the triple system. This spacecraft will use electric propulsion and in its payload it will carry image camera, laser rangefinder, infrared spectrometer, mass spectrometer, and experiments to be performed in its way to the asteroid. This mission represents a great challenge for the Brazilian space program. It is being structured to allow the full engagement of the Brazilian universities and technological companies in all the necessary developments to be carried out. In this paper, we present some aspects of this mission, including the transfer trajectories to be used, and details of buss and payload subsystems that are being developed and will be used. Copyright ©2010 by the International Astronautical Federation. All rights reserved.

Packaging controlled experiments using an evolutionary approach based on ontology

A body of knowledge in Software Engineering requires experiments replications. The knowledge generated by a study is registered in the so-called lab package, which, must be reviewed by an eventual research group with the intention to replicate it. However, researchers face difficulties reviewing the lab package, what leads to problems in share knowledge among research groups. Besides that, the lack of standardization is an obstacle to the integration of the knowledge from an isolated study in a common body of knowledge. In this sense, ontologies can be applied, since they can be seen as a standard that promotes the shared understanding of the experiment information structure. In this paper, we present a workflow to generate lab packages based on EXPEiiQntology, an ontology of controlled experiments domain. In addition, by means of lab packages instantiation, it is possible to evolve the ontology, in order to deal with new concepts that may appear in different lab packages. The iterative ontology evolution aims at achieve a standard that is able to accommodate different lab packages and, hence, facilitate to review and understand their content.

Power Electronics course: Analysis and evaluation of the educational software and the environment learning

This paper presents the analysis and evaluation of the Power Electronics course at So Paulo State University-UNESP-Campus of Ilha Solteira(SP)-Brazil, which includes the usage of interactive Java simulations tools and an educational software to aid the teaching of power electronic converters. This platform serves as an oriented course for the lectures and supplementary support for laboratory experiments in the power electronics courses. The simulation tools provide an interactive and dynamic way to visualize the power electronics converters behavior together with the educational software, which contemplates the theory and a list of subjects for circuit simulations. In order to verify the performance and the effectiveness of the proposed interactive educational platform, it is presented a statistical analysis considering the last three years. © 2011 IEEE.

Effects of sublethal dose of fipronil on neuron metabolic activity of africanized honeybees

Fipronil is a neurotoxic insecticide that inhibits the gamma-aminobutyric acid receptor and can affect gustative perception, olfactory learning, and motor activity of the honeybee Apis mellifera. This study determined the lethal dose (LD50) and the lethal concentration (LC50) for Africanized honeybee and evaluated the toxicity of a sublethal dose of fipronil on neuron metabolic activity by way of histochemical analysis using cytochrome oxidase detection in brains from worker bees of different ages. In addition, the present study investigated the recovery mechanism by discontinuing the oral exposure to fipronil. The results showed that mushroom bodies of aged Africanized honeybees are affected by fipronil, which causes changes in metabolism by increasing the respiratory activity of mitochondria. In antennal lobes, the sublethal dose of fipronil did not cause an increase in metabolic activity. The recovery experiments showed that discontinued exposure to a diet contaminated with fipronil did not lead to recovery of neural activity. Our results show that even at very low concentrations, fipronil is harmful to honeybees and can induce several types of injuries to honeybee physiology. © 2012 Springer Science+Business Media New York.

Cross-mating experiments detect reproductive compatibility between Triatoma sherlocki and other members of the Triatoma brasiliensis species complex

Phylogenetic approaches based on mitochondrial DNA variation (fragments of Cyt B and 16S ribosomal RNA) have revealed Triatoma sherlocki as the most recent species addition to the Triatoma brasiliensis species complex; a monophyletic group which includes T. brasiliensis, Triatoma melanica, and Triatoma juazeirensis. T. sherlocki is the most differentiated among all species of this complex: it is unable to fly, possesses longer legs than the other members, and has reddish tonality in some parts of its exochorion. We question whether these species are reproductively compatible because of this pronounced morphological differentiation, and therefore, we present a series of cross breeding experiments that test compatibility between T. sherlocki and other members of the T. brasiliensis complex. We extended our analyses to include crosses between T. sherlocki and Triatoma lenti, because the latter has been suggested as a possible member of this complex. T. sherlocki male. ×. T. lenti female pairs failed to produce hybrids. All other crosses of T. sherlocki and members of T. brasiliensis species complex, as well as backcrosses, produced viable offspring through the third generation. This study stresses the importance of searching for the features that may isolate members of the T. brasiliensis species complex. © 2013 Elsevier B.V.

Doses, épocas e modos de aplicação da uréia comum e revestida na cultura do milho

Pós-graduação em Agronomia (Ciência do Solo) - FCAV

Estudo experimental do funcionamento de um sistema gas-lif

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo experimental do escoamento em torno de cilindros circulares em movimento de rotação

Pós-graduação em Engenharia Mecânica - FEIS

Blog diários: reflexões sobre a identidade indígena na virtualidade

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Investigação da quebra de pigmentos por luz

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)