Data of the molecular dynamics simulations of mutations in the human connexin46 docking interface

The structure of hCx26 derived from the X-ray analysis was used to generate a homology model for hCx46. Interacting connexin molecules were used as starting model for the molecular dynamics (MD) simulation using NAMD and allowed us to predict the dynamic behavior of hCx46wt and the cataract related mutant hCx46N188T as well as two artificial mutants hCx46N188Q and hCx46N188D. Within the 50 ns simulation time the docked complex composed of the mutants dissociate while hCx46wt remains stable. The data indicates that one hCx46 molecule forms 5-7 hydrogen bonds (HBs) with the counterpart connexin of the opposing connexon. These HBs appear essential for a stable docking of the connexons as shown by the simulation of an entire gap junction channel and were lost for all the tested mutants. The data described here are related to the research article entitled "The cataract related mutation N188T in human connexin46 (hCx46) revealed a critical role for residue N188 in the docking process of gap junction channels" (Schadzek et al., 2015) [1].

Hyperspectral sensing to detect the impact of herbicide drift on cotton growth and yield

Yield loss in crops is often associated with plant disease or external factors such as environment, water supply and nutrient availability. Improper agricultural practices can also introduce risks into the equation. Herbicide drift can be a combination of improper practices and environmental conditions which can create a potential yield loss. As traditional assessment of plant damage is often imprecise and time consuming, the ability of remote and proximal sensing techniques to monitor various bio-chemical alterations in the plant may offer a faster, non-destructive and reliable approach to predict yield loss caused by herbicide drift. This paper examines the prediction capabilities of partial least squares regression (PLS-R) models for estimating yield. Models were constructed with hyperspectral data of a cotton crop sprayed with three simulated doses of the phenoxy herbicide 2,4-D at three different growth stages. Fibre quality, photosynthesis, conductance, and two main hormones, indole acetic acid (IAA) and abscisic acid (ABA) were also analysed. Except for fibre quality and ABA, Spearman correlations have shown that these variables were highly affected by the chemical. Four PLS-R models for predicting yield were developed according to four timings of data collection: 2, 7, 14 and 28 days after the exposure (DAE). As indicated by the model performance, the analysis revealed that 7 DAE was the best time for data collection purposes (RMSEP = 2.6 and R2 = 0.88), followed by 28 DAE (RMSEP = 3.2 and R2 = 0.84). In summary, the results of this study show that it is possible to accurately predict yield after a simulated herbicide drift of 2,4-D on a cotton crop, through the analysis of hyperspectral data, thereby providing a reliable, effective and non-destructive alternative based on the internal response of the cotton leaves.

Core-level photoemission investigations of the CDTE(100) and INSB(100) surface and interfacial structures

Photoemission techniques, utilizing a synchrotron light source, were used to analyze the clean (100) surfaces of the zinc-blende semiconductor materials CdTe and InSb. Several interfacial systems involving the surfaces of these materials were also studied, including the CdTe(lOO)-Ag interface, the CdTe(lOO)-Sb system, and the InSb(lOO)-Sn interface. High-energy electron diffraction was also employed to acquire information about of surface structure. A one-domain (2xl) structure was observed for the CdTe(lOO) surface. Analysis of photoemission spectra of the Cd 4d core level for this surface structure revealed two components resulting from Cd surface atoms. The total intensity of these components accounts for a full monolayer of Cd atoms on the surface. A structural model is discussed commensurate with these results. Photoemission spectra of the Cd and Te 4d core levels indicate that Ag or Sb deposited on the CdTe(l00)-(2xl) surface at room temperature do not bound strongly to the surface Cd atoms. The room temperature growth characteristics for these two elements on the CdTe(lOO)-(2xl) are discussed. The growth at elevated substrate temperatures was also studied for Sb deposition. The InSb(lOO) surface differed from the CdTe(lOO) surface. Using molecular beam epitaxy, several structures could be generated for the InSb(lOO) surface, including a c(8x2), a c(4x4), an asymmetric (lx3), a symmetric (lx3), and a (lxl). Analysis of photoemission intensities and line shapes indicates that the c(4x4) surface is terminated with 1-3/4 monolayers of Sb atoms. The c(8x2) surface is found to be terminated with 3/4 monolayer of In atoms. Structural models for both of these surfaces are proposed based upon the photoemission results and upon models of the similar GaAs(lOO) structures. The room temperature growth characteristics of grey Sn on the lnSb(lOO)-c(4x4) and InSb(l00)-c(8x2) surfaces were studied with photoemission. The discontinuity in the valence band maximum for this semiconductor heterojunction system is measured to be 0.40 eV, independent of the starting surface structure and stoichiometry. This result is reconciled with theoretical predictions for heterostructure behavior.

High temperature and vapor pressure deficit aggravate architectural effects but ameliorate non-architectural effects of salinity on dry mass production of tomato

Tomato (Solanum lycopersicum L.) is an important vegetable crop and often cultivated in regions exposed to salinity and high temperatures (HT) which change plant architecture, decrease canopy light interception and disturb physiological functions. However, the long-term effects of salinity and HT combination (S+HT) on plant growth are still unclear. A dynamic functional-structural plant model (FSPM) of tomato was parameterized and evaluated for different levels of S+HT combinations. The evaluated model was used to quantify the contributions of morphological changes (architectural effects) and physiological disturbances (non-architectural effects) on the reduction of shoot dry mass under S+HT. The model predicted architectural variables with high accuracy (>85%), which ensured the reliability of the model analyses. HT enhanced architectural effects but reduced non-architectural effects of salinity on dry mass production. The stronger architectural effects of salinity under HT could not be counterbalanced by the smaller non-architectural effects. Therefore, long-term influences of HT on shoot dry mass under salinity were negative at the whole plant level. Our model analysis highlights the importance of plant architecture at canopy level in studying the plant responses to the environments and shows the merits of dynamic FSPMs as heuristic tools.

Content analysis model to analyze facets of social mission of public library on the Facebook and in the websites

In this paper we present the development and the implementation of a content analysis model for observing aspects relating to the social mission of the public library on Facebook pages and websites. The model is unique and it was developed from the literature. There were designed the four categories for analysis Generate social capital and social cohesion, Consolidate democracy and citizenship, Social and digital inclusion and Fighting illiteracies. The model enabled the collection and the analysis of data applied to a case study consisting of 99 Portuguese public libraries with Facebook page. With this model of content analysis we observed the facets of social mission and we read the actions with social facets on the Facebook page and in the websites of public libraries. At the end we discuss in parallel the results of observation of the Facebook of libraries and the websites. By reading the description of the actions of the social mission, the general conclusion and the most immediate is that 99 public libraries on Facebook and websites rarely publish social character actions, and the results are little satisfying. The Portuguese public libraries highlight substantially the actions in the category Generate social capital and social cohesion.

Coping religioso, resiliência e qualidade de vida de pessoas com HIV/AIDS

Tese (doutorado)—Universidade de Brasília, Instituto de Psicologia, Programa de Pós-Graduação em Processos de Desenvolvimento Humano e Saúde, 2016.

Obtenção e caracterização de nanopartículas de argilominerais

Natural nanoclays are of great interest particularly for the production of polymer-based nanocomposites. In this work, kaolinite clays from two natural deposits in the State of the Rio Grande do Norte and Paraiba were purified with thermal treatment and chemical treatments, and characterized. Front to the gotten data, had been proposals methodologies for elimination or reduction of coarse particle texts, oxide of iron and organic substance. These methodologies had consisted of the combination of operations with thermal treatments, carried through in electric oven, and acid chemical attacks with and hydrogen peroxide. The Analyzers Thermogravimetric was used to examine the thermal stability of the nanoclays. The analysis indicated weight losses at temperatures under 110 ºC and over the temperature range of 350 to 550 ºC. Based on the thermal analysis data, the samples were submitted to a thermal treatment at 500 °C, for 8 h, to remove organic components. The X-ray diffraction patterns indicated that thermal treatment under 500 °C affect the basic structure of kaolinite. The BET surface area measurements ranged from 32 to 38 m2/g for clay samples with thermal treatment and from 36 to 53 m2/g for chemically treated samples. Thus, although the thermal treatment increased the surface area, through the removal of organic components, the effect was not significant and chemical treatment is more efficient, not affect the basic structure of kaolinite, to improve particle dispersion. SEM analysis confirms that the clay is agglomerated forming micron-size particles

Strengthen Unilever-Jerónimo Martins’ position in the traditional supermarkets

Field lab: Entrepreneurial and innovative ventures

Food-Web Complexity in Guaymas Basin Hydrothermal Vents and Cold Seeps

In the Guaymas Basin, the presence of cold seeps and hydrothermal vents in close proximity, similar sedimentary settings and comparable depths offers a unique opportunity to assess and compare the functioning of these deep-sea chemosynthetic ecosystems. The food webs of five seep and four vent assemblages were studied using stable carbon and nitrogen isotope analyses. Although the two ecosystems shared similar potential basal sources, their food webs differed: seeps relied predominantly on methanotrophy and thiotrophy via the Calvin-Benson-Bassham (CBB) cycle and vents on petroleum-derived organic matter and thiotrophy via the CBB and reductive tricarboxylic acid (rTCA) cycles. In contrast to symbiotic species, the heterotrophic fauna exhibited high trophic flexibility among assemblages, suggesting weak trophic links to the metabolic diversity of chemosynthetic primary producers. At both ecosystems, food webs did not appear to be organised through predator-prey links but rather through weak trophic relationships among co-occurring species. Examples of trophic or spatial niche differentiation highlighted the importance of species-sorting processes within chemosynthetic ecosystems. Variability in food web structure, addressed through Bayesian metrics, revealed consistent trends across ecosystems. Food-web complexity significantly decreased with increasing methane concentrations, a common proxy for the intensity of seep and vent fluid fluxes. Although high fluid-fluxes have the potential to enhance primary productivity, they generate environmental constraints that may limit microbial diversity, colonisation of consumers and the structuring role of competitive interactions, leading to an overall reduction of food-web complexity and an increase in trophic redundancy. Heterogeneity provided by foundation species was identified as an additional structuring factor. According to their biological activities, foundation species may have the potential to partly release the competitive pressure within communities of low fluid-flux habitats. Finally, ecosystem functioning in vents and seeps was highly similar despite environmental differences (e.g. physico-chemistry, dominant basal sources) suggesting that ecological niches are not specifically linked to the nature of fluids. This comparison of seep and vent functioning in the Guaymas basin thus provides further supports to the hypothesis of continuity among deep-sea chemosynthetic ecosystems.

Trade Liberalization and Organizational Change

We embed a simple incomplete-contracts model of organization design in a standard two-country perfectly-competitive trade model to examine how the liberalization of product and factor markets affects the ownership structure of firms.In our model, managers decide whether or not to integrate their firms, trading off the pecuniary benefits of coordinating production decisions with the private benefits of operating in their preferred ways. The price of output is a crucial determinant of this choice, since it affects the size of the pecuniary benefits. In particular, non-integration is chosen at “low” and “high” prices, while integration occurs at moderate prices. Organizational choices also depend on the terms of trade in supplier markets, which affect the division of surplus between managers. We obtain three main results. First, even when firms do not relocate across countries, the price changes triggered by liberalization of product markets can lead to significant organizational restructuring within countries. Second, the removal of barriers to factor mobility can lead to inefficient reorganization and adversely affect consumers. Third, “deep integration” — the liberalization of both product and factor markets — leads to the convergence of organizational design across countries.

The role of science and technology management companies in the set-up and coordination of multi-partners scientific alliances

Mestrado em Economia e Gestão de Ciência, Tecnologia e Inovação

A importância do sistema de lições aprendidas para a instituição militar

As Lições Aprendidas (LL), permitem a uma organização aprender com a experiência e desta forma melhorar o seu desempenho. No Estado-Maior General das Forças Armadas (EMGFA), esta capacidade, encontra-se em fase de implementação, e por este motivo o trabalho realizado, teve como finalidade formular subsídios para o seu desenvolvimento. Através de uma estratégia de pesquisa qualitativa, foi analisado o modelo implementado no Joint Analysis and Lessons Learned Centre (JALLC) e o modelo que se encontra em implementação no Centro de Treino Avaliação e Certificação (CTAC), com vista a identificar as linhas de ação para o desenvolvimento da capacidade. A NATO tem a sua capacidade sustentada no JALLC, que assegura resposta a requisitos de análise, promove a partilha de informações e auxilia no desenvolvimento de LL. No EMGFA o CTAC tem a atribuição de validar as lições identificadas, estabelecer e promover a implementação das lições aprendidas e conduzir estudos de investigação e análise. Do nosso estudo, concluímos que o CTAC está a desenvolver a capacidade de LL de acordo com a doutrina pela NATO, no entanto o seu âmbito de atuação carece de ser alargado, para edificar a capacidade de LL no EMGFA. Abstract: The Lessons Learned (LL), allow an organization to learn from experience and thus improve their performance. In the Portuguese General Staff of the Armed Forces (EMGFA), this capability is being implemented, and for this reason this study, aimed to formulate subsidies for its development. Through a qualitative research strategy, both model the Joint Analysis and Lessons Learned Centre(JALLC) and the the Training Center Assessment and Certification (CTAC) was analysed, to identify the lines of action for the development of capacity in EMGFA. NATO supports their capability in JALLC, which ensures response to requirements analysis, promotes the sharing of information and assists in the development of lessons learned. CTAC in EMGFA has the authority to validate the identified lessons, establish and promote the implementation of lessons learned and conduct research and analysis studies. From our study, we conclude that CTAC is developing LL capacity according to NATO doctrine, however their performance scope needs to be extended to build the capacity in LL EMGFA.

Membrana de alumina anódica: comportamento da microestrutura e estudo das propriedades ópticas após tratamento térmico

Thin commercial aluminum electrolytic and passed through reactions was obtained with anodic alumina membranes nanopores. These materials have applications in areas recognized electronic, biomedical, chemical and biological weapons, especially in obtaining nanostructures using these membranes as a substrate or template for processing nanowires, nanodots and nanofibers for applications noble. Previous studies showed that the membranes that have undergone heat treatment temperature to 1300° C underwent changes in morphology, crystal structure and optical properties. This aim, this thesis, a study of the heat treatment of porous anodic alumina membranes, in order to obtain and to characterize the behavior changes structures during the crystallization process of the membranes, at temperatures ranging between 300 and 1700° C. It was therefore necessary to mount a system formed by a tubular furnace resistive alumina tube and controlled environment, applying flux with special blend of Ag-87% and 13% N2, in which argon had the role of carrying out the oxygen nitrogen system and induce the closing of the pores during the densification of the membrane. The duration of heat treatment ranged from 60 to 15 minutes, at temperatures from 300 to 1700° C respectively. With the heat treatment occurred: a drastic reduction of porosity, grain growth and increased translucency of the membrane. For the characterization of the membranes were analyzed properties: Physical - thermogravimetric, X-ray diffraction, BET surface area; morphological - SEM, EDS through compositional and, optical absorbance, and transmittance in the UV-VIS, and FTIR. The results using the SEM showed that crystallization has occurred, densification and significant changes in membrane structure, as well as obtaining microtube, the BET analysis showed a decrease in specific surface area of the membranes has to 44.381 m2.g-1 to less than 1.8 m2.g-1 and in the analysis of transmittance and absorbance was found a value of 16.5% in the range of 800 nm, characteristic of the near infrared and FTIR have confirmed the molecular groups of the material. Thus, one can say that the membranes were mixed characteristics and properties which qualify for use in gas filtration system, as well as applications in the range of optical wavelength of the infra-red, and as a substrate of nanomaterials. This requires the continuation and deepening of additional study

Natureza morta...edifício com vida: uma arquitetura sustentável para o Serviço de Verificação de Óbitos

Sustainability in buildings, while reducing the impact on the environment, contributes to the promotion of social welfare, to increase the health and productivity of occupants. The search for a way of build that meets the aspirations and development of humanity without, however, represent degradation of the environment, has become the great challenge of contemporary architecture. It is considered that the incorporation of principles that provide a sustainable building with careful choices of design solutions contribute to a better economic and thermal performance of the building, as well as functional and psychological comfort to its users. Based on this general understanding, this paper presents an architecture project aimed to health care whose the solutions adopted follow carefully the relevant legislation and sets his sights on the theme of sustainability. The methodology began with studies on the themes of verification service of deaths, sustainability and those application in construction developed through research in academic studies and analysis of architectural projects, using them like reference for the solutions adopted. Within the project analysis was performed a visit to the verification service of deaths in the city of Palmas in Tocantins, subsidizing information that, plus the relevant legislation, led to functional programming and pre-dimensional of the building to be designed. The result of this programming environments were individual records with information from environmental restrictions, space required for the development of activities, desirable flow and sustainability strategies, that can be considered as the first product of relevance of the professional master's degree. Finally we have outlined the basic design architecture of a Verification Service of Death SVO/RN (in portuguese), whose process of projecting defined as a guiding line of work four points: the use of bioclimatic architecture as the main feature projectual, the use of resources would provide minimal harm to the environment, the use of modulation and structure to the building as a form of rationalization and finally the search for solutions that ensure environmental and psychological comfort to users. Importantly to highlight that, besides owning a rare theme in literature that refers to architectural projects, the whole project was drawn up with foundations in projective criteria that contribute to environmental sustainability, with emphasis on thermal performance, energy efficiency and reuse of rainwater

Bem-estar subjectivo: processos cognitivos e afecto positivo

O presente trabalho de investigação visa aprofundar o campo de estudo no âmbito do Bem-Estar subjetivo. Especificamente, propõe-se apreciar qual o papel do Processamento Cognitivo "Aberto" (e outras formas de Coping) na relação entre Satisfação com o Suporte Social e o Afecto Positivo e Negativo. A metodologia usada segue um método correlaciona/ quantitativo através do recurso ao software de análise estatística SPSS. As análises de regressão simples e múltipla mostraram que diferentes variáveis, como as cognitivas (Processamento Cognitivo "Aberto" e outras formas de Coping) e os pessoais e sócio-demográficas (Género e Grau de Escolaridade), se encontram associados aos níveis de Afecto, quer Positivo quer Negativo, e contribuem também de formas distintas para explicar a sua variabilidade. Para além disso, as mesmas relações parecem ser influenciadas pelos níveis de Saúde Mental dos participantes. Os resultados do presente estudo sugerem importantes implicações teóricas e práticas no âmbito da Saúde Mental. /ABSTRACT: This research work aims to deepen the field of study within the framework of Subjective Well-Being. Specifically, it proposes to assess the role of the Broad-Minded Coping (and other forms of Coping) in the relationship between Satisfaction with the Social Support and the Positive and Negative Affect. The methodology used follows a correlative quantitative method through the use of the statistical analysis software SPSS. Multiple and simple regression analyses showed that different variables, such as cognitive (Broad-Minded Coping and other forms of Coping) and personal and socio-demographic data (Gender and Scholarization), are associated with the levels of Affect, either Positive or Negative, and they also contribute differently to explain its variability. ln addition, these relationships seem to be influenced by the participants' Mental Health levels. The results of this study suggest important theoretical and practical implications in the context of Mental Health.