Engineering a plant community to deliver multiple ecosystem services

The sustainable delivery of multiple ecosystem services requires the management of functionally diverse biological communities. In an agricultural context, an emphasis on food production has often led to a loss of biodiversity to the detriment of other ecosystem services such as the maintenance of soil health and pest regulation. In scenarios where multiple species can be grown together, it may be possible to better balance environmental and agronomic services through the targeted selection of companion species. We used the case study of legume-based cover crops to engineer a plant community that delivered the optimal balance of six ecosystem services: early productivity, regrowth following mowing, weed suppression, support of invertebrates, soil fertility building (measured as yield of following crop), and conservation of nutrients in the soil. An experimental species pool of 12 cultivated legume species was screened for a range of functional traits and ecosystem services at five sites across a geographical gradient in the United Kingdom. All possible species combinations were then analyzed, using a process-based model of plant competition, to identify the community that delivered the best balance of services at each site. In our system, low to intermediate levels of species richness (one to four species) that exploited functional contrasts in growth habit and phenology were identified as being optimal. The optimal solution was determined largely by the number of species and functional diversity represented by the starting species pool, emphasizing the importance of the initial selection of species for the screening experiments. The approach of using relationships between functional traits and ecosystem services to design multifunctional biological communities has the potential to inform the design of agricultural systems that better balance agronomic and environmental services and meet the current objective of European agricultural policy to maintain viable food production in the context of the sustainable management of natural resources.

In silico screening of HIV-1 non-nucleoside reverse transcriptase and protease inhibitors

Two targets, reverse transcriptase (RT) and protease from HIV-1, were used during the past two decades to the discovery of non-nucleoside reverse transcriptase inhibitors (NNRTI) and protease inhibitors (PI) that belong to the arsenal of the antiretroviral therapy. Herein these enzymes were chosen as templates for conducting a computer-aided ligand design. Ligand and structure-based drug designs were the starting points to select compounds from a database bearing more than five million compounds by means of cheminformatic tools. New promising lead structures are retrieved from the database, which are open to acquisition and test. Classes of molecules already described as NNRTI or PI in the literature also came out and were useful to prove the reliability of the workflow, and thus validating the work carried out so far. (c) 2007 Elsevier Masson SAS. All rights reserved.

Classical and hologram QSAR studies on a series of inhibitors of trypanosomatid Glyceraldehyde-3-Phosphate Dehydrogenase

Leishmaniasis and trypanosomiasis are major causes of morbidity and mortality in both tropical and subtropical regions of the world. The current available drugs are limited, ineffective, and require long treatment regimens. Due to the high dependence of trypanosomatids on glycolysis as a source of energy, some glycolytic enzymes have been identified as attractive targets for drug design. In the present work, classical Two-Dimensional Quantitative Structure -Activity Relationships (2D QSAR) and Hologram QSAR (HQSAR) studies were performed on a series of adenosine derivatives as inhibitors of Leishmania mexicana Glyceraldehyde-3-Phosphate Dehydrogenase (LmGAPDH). Significant correlation coefficients (classical QSAR, r(2)=0.83 and q(2) =0.81; HQSAR, r(2)=0.91 and q(2) =0.86) were obtained for the 56 training set compounds, indicating the potential of the models for untested compounds. The models were then externally validated using a test set of 14 structurally related compounds and the predicted values were in good agreement with the experimental results (classical QSAR, r(pred)(2) = 0.94; HQSAR, r(pred)(2) = 0.92).

Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase: Molecular docking and 3D QSAR studies

The glycolytic enzyme glyceraldehyde-3 -phosphate dehydrogenase (GAPDH) is as an attractive target for the development of novel antitrypanosomatid agents. In the present work, comparative molecular field analysis and comparative molecular similarity index analysis were conducted on a large series of selective inhibitors of trypanosomatid GAPDH. Four statistically significant models were obtained (r(2) > 0.90 and q(2) > 0.70), indicating their predictive ability for untested compounds. The models were then used to predict the potency of an external test set, and the predicted values were in good agreement with the experimental results. Molecular modeling studies provided further insight into the structural basis for selective inhibition of trypanosomatid GAPDH.

Structural basis for selective inhibition of purine nucleoside phosphorylase from Schistosoma mansoni: Kinetic and structural studies

Selectivity plays a crucial role in the design of enzyme inhibitors as novel antiparasitic agents, particularly in cases where the target enzyme is also present in the human host. Purine nucleoside phosphorylase from Schistosoma mansoni (SmPNP) is an attractive target for the discovery of potential antischistosomal agents. In the present work, kinetic studies were carried out in order to determine the inhibitory potency, mode of action and enzyme selectivity of a series of inhibitors of SmPNP. In addition, crystallographic studies provided important structural insights for rational inhibitor design, revealing consistent structural differences in the binding mode of the inhibitors in the active sites of the SmPNP and human PNP (HsPNP) structures. The molecular information gathered in this work should be useful for future medicinal chemistry efforts in the design of new inhibitors of SmPNP having increased affinity and selectivity. (C) 2010 Elsevier Ltd. All rights reserved.

A GUI for online presentation of steel and steelmaking ladle temperature data and simulation.

Continuous casting is a casting process that produces steel slabs in a continuous manner with steel being poured at the top of the caster and a steel strand emerging from the mould below. Molten steel is transferred from the AOD converter to the caster using a ladle. The ladle is designed to be strong and insulated. Complete insulation is never achieved. Some of the heat is lost to the refractories by convection and conduction. Heat losses by radiation also occur. It is important to know the temperature of the melt during the process. For this reason, an online model was previously developed to simulate the steel and ladle wall temperatures during the ladle cycle. The model was developed as an ODE based model using grey box modeling technique. The model’s performance was acceptable and needed to be presented in a user friendly way. The aim of this thesis work was basically to design a GUI that presents steel and ladle wall temperatures calculated by the model and also allow the user to make adjustments to the model. This thesis work also discusses the sensitivity analysis of different parameters involved and their effects on different temperature estimations.

Modeling precipitation and its effect on recrystallization during hot strip rolling of niobium steels

Using a physically based model, the microstructural evolution of Nb microalloyed steels during rolling in SSAB Tunnplåt’s hot strip mill was modeled. The model describes the evolution of dislocation density, the creation and diffusion of vacancies, dynamic and static recovery through climb and glide, subgrain formation and growth, dynamic and static recrystallization and grain growth. Also, the model describes the dissolution and precipitation of particles. The impeding effect on grain growth and recrystallization due to solute drag and particles is accounted for. During hot strip rolling of Nb steels, Nb in solid solution retards recrystallization due to solute drag and at lower temperatures strain-induced precipitation of Nb(C,N) may occur which effectively retard recrystallization. The flow stress behavior during hot rolling was calculated where the mean flow stress values were calculated using both the model and measured mill data. The model showed that solute drag has an essential effect on recrystallization during hot rolling of Nb steels.

Utmaningen från andra berättelser : En studie om moraliskt omdöme, utvidgat tänkande och kritiskt reflekterande berättelser i dialogbaserad feministisk etik

The present study has a threefold aim: First, the theoretical aim is to give a contribution to refinement of the theory of dialogue based feminist ethics, concerning the understanding of judgment and narration within such an ethics.  The study also has an empirical aim, defined as to clarify what kind of knowledge, relevant to the moral judgment of an engaged outsider actor, can be received from dialogical interpretation and analysis of a limited selection of critically reflecting life stories. Third, a methodological aim is defined as to develop an approach to interpretation and analysis of reflecting life stories, which renders the storyteller visible as a reflecting moral subject, and makes the story accessible as a source of knowledge for the moral judgment of an engaged outsider actor. The thesis combines philosophical reflection and argumentation, with a narrative-hermeneutic method for interpretation of life stories, relating the two to each other in a hermeneutic process.  The theoretical reflection draws on Seyla Benhabibs theory of communicative ethics. A dialogue based model for moral justification and a likewise dialogue based model for political legitimacy are at the heart of this universalistic theory, although in combination with a conception of a narratively and hermeneutically constituted context sensitive moral judgment, based on Hannah Arendt’s concept “enlarged thought”. In the reflection, this model is related to other feminist theorizing within the tradition of dialogue based feminist ethics, as found in the works of Iris M. Young, Georgia Warnke and Shari Stone-Mediatore. The empirical study draws on three critically reflecting life stories from Israeli-Palestinian women activists for a just peace. The methodology for interpretation and analysis that is worked out combines dialogical interpretation as presented in Arthur W. Frank’s socio-narratology with a method for structural analysis derived from Shari Stone-Mediatores theory of storytelling as an expression of political resistance struggle. The results show that some stories drawing on marginalized experiences have a potential­ to stimulate further public debate through their capacity to enable a stereoscopic seeing, elucidating a tension between ideologically structured discourse and non-linguistic experience; implying that narrative-hermeneutic competence should be considered crucial for public debate.  

Principles of High Quality Documentation for Provenance: A Philosophical Discussion

Computer technology enables the creation of detailed documentation about the processes that create or affect entities (data, objects, etc.). Such documentation of the past can be used to answer various kinds of questions regarding the processes that led to the creation or modification of a particular entity. The answer to such questions is known as an entity's provenance. In this paper, we derive a number of principles for documenting the past, grounded in work from philosophy and history, which allow for provenance questions to be answered within a computational context. These principles lead us to argue that an interaction-based model is particularly suited for representing high quality documentation of the past.

Basiléia II e exigência de capital para risco de crédito dos bancos no Brasil

Com a implementação do Acordo de Basiléia II no Brasil, os grandes conglomerados bancários poderão utilizar o chamado modelo IRB (Internal Ratings Based) para cômputo da parcela de risco de crédito da exigência de capital. O objetivo deste trabalho é mensurar a diferença entre o capital mínimo exigido (e, conseqüentemente, do Índice de Basiléia) calculado pela abordagem IRB em relação à regulamentação atual. Para isso, foram estimadas probabilidades de inadimplência (PD) utilizando matrizes de transição construídas a partir dos dados da Central de Risco de Crédito (SCR) do Banco Central do Brasil. Os resultados indicam aumento da exigência de capital, ao contrário do ocorrido nos países do G-10

As competências centrais da Dell : uma avaliação sobre sua aplicabilidade em serviços

O propósito principal deste trabalho foi avaliar como as competências centrais de Dell Inc., que formam a base de sua vantagem competitiva, contribuem ou não para a iniciativa da empresa de ingressar no segmento de prestação de serviços, na indústria da Tecnologia da Informação. Para identificar as competências centrais da Dell Inc. foram utilizados os critérios propostos na teoria Resource Based Model.

Modelo interno de risco de crédito de Basiléia II: possíveis impactos no capital mínimo exigido dos bancos

Com a implementação do Acordo de Basiléia II no Brasil, os grandes conglomerados bancários poderão utilizar o chamado modelo IRB (Internal Ratings Based) para cômputo da parcela de risco de crédito da exigência de capital. O objetivo desta dissertação é mensurar a diferença entre o capital mínimo exigido (e, conseqüentemente, do Índice de Basiléia) calculado pela abordagem IRB em relação à regulamentação atual. Para isso, foram estimadas probabilidades de inadimplência (PD) utilizando matrizes de transição construídas a partir dos dados da Central de Risco de Crédito (SCR) do Banco Central do Brasil. Os resultados indicam aumento da exigência de capital, ao contrário do ocorrido nos países do G-10.

Pricing and hedging of oil futures : a unifying approach

We develop and empirically test a continuous time equilibrium model for the pricing of oil futures. The model provides a link between no-arbitrage models and expectation oriented models. It highlights the role of inventories for the identification of different pricing regimes. In an empirical study the hedging performance of our model is compared with five other one- and two-factor pricing models. The hedging problem considered is related to Metallgesellschaft´s strategy to hedge long-term forward commitments with short-term futures. The results show that the downside risk distribution of our inventory based model stochastically dominates those of the other models.

Crowdfunding no Brasil: uma análise sobre as motivações de quem participa

Este trabalho procurou investigar as motivações para a participação de apoiadores no modelo de recompensa de crowdfunding no Brasil, sob a luz dos aspectos encontrados na pesquisa americana de Gerber e Hui (2014). Como a participação nesse modelo é voluntária, entendeu- se ser importante compreender os motivos que levam pessoas a apoiarem projetos. Acredita- se que este trabalho tenha atingido o que foi por ele proposto, deixando contribuições em diversos sentidos. A fim de aprofundar o entendimento desse novo fenômeno social, apresentou-se uma pesquisa qualitativa fundamentada em um estudo de caso múltiplo, em que os apoiadores eram a unidade de análise, nas três maiores plataformas de crowdfunding do Brasil: Queremos, Catarse e Benfeitoria. E, como fonte de informações para esta metodologia, optou-se pelo método qualitativo de entrevistas em profundidade com os elementos da unidade de análise. Foram realizadas 11 entrevistas com apoiadores, sendo 06 homens e 05 mulheres. O trabalho também teve o objetivo de conhecer melhor o cenário nacional desse mercado, a partir de entrevistas em profundidade com os fundadores das plataformas e um heavy user (mais de 140 projetos apoiados) do modelo. Após a consolidação e análise dos dados obtidos, verificou-se a presença das motivações encontradas nos estudos de Gerber (GERBER e HUI, 2014), porém com algumas ressalvas quanto a motivação “Fazer parte de uma comunidade”, explicitada a seguir. A pesquisa qualitativa refinou substancialmente a compreensão do que motiva apoiadores a participar de crowdfunding, incluindo aspectos importantes que devem ser levados em consideração quanto a práticas do mercado. Ao final, as conclusões e implicações deste estudo foram detalhadamente apresentadas.

Um estudo de estruturas com PBG e fotônica

One of the objectives of this work is the ana1ysis of planar structures using the PBG (photonic Bandgap), a new method of controlling propagation of electromagnetic waves in devices with dielectrics. Here the basic theory of these structures will be presented, as well as applications and determination of certain parameters. In this work the analysis will be performed concerning PBG structures, including the basic theory and applications in planar structures. Considerations are made related to the implementation of devices. Here the TTL (Transverse Transmission Line) method is employed, characterized by the simplicity in the treatment of the equations that govern the propagation of electromagnetic waves in the structure. In this method, the fields in x and z are expressed in function of the fields in the traverse direction y in FTD (Fourier Transform Domain). This method is useful in the determination of the complex propagation constant with application in high frequency and photonics. In this work structures will be approached in micrometric scale operating in frequencies in the range of T erahertz, a first step for operation in the visible spectra. The mathematical basis are approached for the determination of the electromagnetic fields in the structure, based on the method L TT taking into account the dimensions approached in this work. Calculations for the determination of the constant of complex propagation are also carried out. The computational implementation is presented for high frequencies. at the first time the analysis is done with base in open microstrip lines with semiconductor substrate. Finally, considerations are made regarding applications ofthese devices in the area of telecommunications, and suggestions for future