Use of self-organizing maps and molecular descriptors to predict the cytotoxic activity of sesquiterpene lactones

Some sesquiterpene lactones (SLs) are the active compounds of a great number of traditionally medicinal plants from the Asteraceae family and possess considerable cytotoxic activity. Several studies in vitro have shown the inhibitory activity against cells derived from human carcinoma of the nasopharynx (KB). Chemical studies showed that the cytotoxic activity is due to the reaction of alpha,beta-unsaturated carbonyl structures of the SLs with thiols, such as cysteine. These studies support the view that SLs inhibit tumour growth by selective alkylation of growth-regulatory biological macromolecules, such as key enzymes, which control cell division, thereby inhibiting a variety of cellular functions, which directs the cells into apoptosis. In this study we investigated a set of 55 different sesquiterpene lactones, represented by 5 skeletons (22 germacranolides, 6 elemanolides, 2 eudesmanolides, 16 guaianolides and nor-derivatives and 9 pseudoguaianolides), in respect to their cytotoxic properties. The experimental results and 3D molecular descriptors were submitted to Kohonen self-organizing map (SOM) to classify (training set) and predict (test set) the cytotoxic activity. From the obtained results, it was concluded that only the geometrical descriptors showed satisfactory values. The Kohonen map obtained after training set using 25 geometrical descriptors shows a very significant match, mainly among the inactive compounds (similar to 84%). Analyzing both groups, the percentage seen is high (83%). The test set shows the highest match, where 89% of the substances had their cytotoxic activity correctly predicted. From these results, important properties for the inhibition potency are discussed for the whole dataset and for subsets of the different structural skeletons. (C) 2008 Elsevier Masson SAS. All rights reserved.

Gymnasisters skrivande : En studie av genre, textstruktur och sammanhang

Students in upper secondary school write in a number of different genres, and do this in school contexts as well as in their spare time. The study presented here is an overview of this activity and the genres concerned. The theoretical framework of the study is that of genre theory whereby genre is understood as a socially situated concept. The study is based on 2 000 texts gathered from students on different study programmes all over Sweden in the school year of 1996-97. The texts were written in different situations. The most important distinction made here is between test texts (i.e. texts from national tests) and self-chosen texts, which may come from schoolwriting or spare-time writing. The texts are categorized according to genre. This text inventory shows a repertoire of 33 different genres in the text material. A small number of genres, such as story, book-review and expository essay dominate the school writing. The test genres differ from this pattern in that they clearly imitate texts with a genuine communicative intent. The most frequent genres are studied further and each of them is demonstrated by an interpretative reading. This reading shows that the genres differ considerably with respect to genre character and stability of text structure. A quantitative study of text length and variation in vocabulary further shows that texts written by two categories of students, those on vocationally oriented programmes and those on programmes preparing for higher education, differ significantly. Reference cohesion is studied in a smaller sample of the texts. This lexico-semantic mechanism of cohesion proves to exhibit an interrelation with variation in vocabulary as well as with text type. One particular cohesive tie, inference, shows different patterns in texts written by the two categories of students mentioned above.

Towards a Monitoring Framework for Agent-Based Contract Systems

The behaviours of autonomous agents may deviate from those deemed to be for the good of the societal systems of which they are a part. Norms have therefore been proposed as a means to regulate agent behaviours in open and dynamic systems, and may be encoded in electronic contracts in order to specify the obliged, permitted and prohibited behaviours of agents that are signatories to such contracts. Enactment and management of electronic contracts thus enables the use of regulatory mechanisms to ensure that agent behaviours comply with the encoded norms. To facilitate such mechanisms requires monitoring in order to detect and explain violation of norms. In this paper we propose a framework for monitoring that is to be implemented and integrated into a suite of contract enactment and management tools. The framework adopts a non-intrusive approach to monitoring, whereby the states of a contract with respect to its contained norms can be inferred on the basis of messages exchanged. Specifically, the framework deploys agents that observe messages sent between contract signatories, where these messages correspond to agent behaviours and therefore indicate whether norms are, or are in danger of, being violated.

Proteção aos investidores em xeque: estudos de casos do novo mercado

Esta dissertação investiga a efetividade das práticas de governança corporativa contidas no Regulamento do Novo Mercado (RNM), segmento especial de listagem da BM&FBOVESPA criado em 2000. Em tese, tais práticas deveriam assegurar a proteção efetiva dos direitos dos investidores de companhias desse segmento. Contudo, alguns casos ocorridos ao longo da primeira década do Novo Mercado lançaram dúvida sobre o respeito aos direitos dos acionistas de suas companhias. Entre eles, dois casos se destacam: Cosan, em 2007, e Tenda, em 2008. Especificamente, a presente pesquisa analisa qualitativamente e em profundidade ambos os casos a fim de verificar se as regras do RNM e as instituições responsáveis por sua aplicabilidade foram suficientes para proteger os investidores. Metodologicamente, utilizou-se a abordagem de estudo de caso de “crise corporativa” e “autopsia institucional” baseada em MILHAUPT e PISTOR (2008). Observou-se que o Novo Mercado foi resultado de um transplante jurídico e que a mera adoção de regras do segmento não foi suficiente para garantir a proteção efetiva aos investidores. Como resultado principal, concluiu-se que as operações societárias lideradas pelos controladores das companhias não só contrariaram regras do segmento (e princípios de governança que nortearam sua criação) como também podem ter infringido a regulação. Com isso, evidencia-se a falta de fiscalização do cumprimento das regras e de punição por parte da BM&FBOVESPA, bem como uma atitude insuficiente da CVM quando de potenciais infrações a dispositivos do ambiente regulatório brasileiro. Por outro lado, o Novo Mercado foi, no mínimo, indiretamente responsável pelo aprimoramento do arcabouço regulatório brasileiro na incorporação de novos instrumentos de proteção aos investidores. Os resultados deste trabalho podem auxiliar na elaboração de reformas na regulação e autorregulação a fim de facilitar a executoriedade das normas já existentes, a qual pode proporcionar maior credibilidade ao mercado de valores mobiliários e fomentar, em última instância, o desenvolvimento do mercado de capitais brasileiro. Trata-se de discussão fundamental, haja vista que a credibilidade do segmento mais exigente quanto às práticas de governança da Bolsa depende da proteção efetiva aos investidores, razão de criação do Novo Mercado.

Arbitragem regulatória X one size fits all: a discricionariedade na regulação bancária internacional entre Cila e Caríbdis

As peculiaridades da atividade bancária - normalmente vista como fundamental à persecução do desenvolvimento, bem como bastante influenciada pelo direito - estimularam a emergência de um regime internacional de regulação da categoria. Tal advento se deu na esteira dos trabalhos realizados por organizações internacionais, como o Comitê da Basileia (BCBS) e o Comitê de Estabilidade Financeira (FSB), e em virtude da percepção de estarmos em um mundo no qual os mercados estão muito interligados, mas permanecem nacionalmente regulados. À parte da discussão do mérito e efetividade dos padrões regulatórios propostos por essas organizações, em um contexto no qual uma série de países busca implementá-los, interessa ao presente trabalho perscrutar os elementos que definem o grau adequado de discricionariedade de implementação conferida na formulação desses. A análise de tal problema sugere a existência de dois extremos a se evitar: a arbitragem regulatória e o one size fits all. Evitar a arbitragem regulatória é uma preocupação da literatura de regulação bancária que se traduz em conter uma variação muito acentuada entre os regimes regulatórios de diferentes jurisdições. Isso enseja três vetores favoráveis a um menor grau de discricionariedade, representado por desígnios de maior coordenação, maior competitividade e de evitar uma race to the bottom regulatória entre os países. Já evitar o one size fits all é uma preocupação recorrente da literatura de direito e desenvolvimento que sugere a necessidade de se atentar para as peculiaridades locais na formulação de políticas regulatórias. Por sua vez, isso enseja outros três vetores, dessa vez em direção a um maior grau de discricionariedade. Sendo esses representados por preocupações com a eficiência das medidas adotadas, com a garantia de um espaço de manobra que respeite a autodeterminação dos países - ao menos minorando eventuais déficits democráticos da estipulação de padrões internacionais - e com a viabilidade prática do experimentalismo. A fim de analisar esse problema e levando em conta esses extremos, propõe-se uma estratégia bipartida: a construção de um enquadramento teórico e a verificação de uma hipótese de pesquisa, segundo a qual um caso específico de regulação bancária pode demonstrar como esses elementos interagem na definição do grau de discricionariedade. Assim, em um primeiro momento - após a necessária contextualização e descrição metodológica - é construído um framework teórico do problema à luz da literatura da regulação bancária e do instrumental utilizado pelas discussões acerca do impacto do direito no desenvolvimento. Discussões essas que há anos têm abordado a formulação de padrões internacionais e a sua implementação em contextos nacionais diversos. Também nesse primeiro momento e como parte da construção dos alicerces teóricos, procede-se a um excurso que busca verificar a hipótese da confiança no sistema bancário ser uma espécie de baldio (common), bem como suas possíveis consequências. Partindo desse enquadramento, elege-se o segmento de regulação bancária relativo aos garantidores de depósito para uma análise de caso. Tal análise - realizada com subsídios provenientes de pesquisa bibliográfica e empírica - busca demonstrar com que grau de discricionariedade e de que forma se deu a formulação e implementação de padrões internacionais nesse segmento. Ao fim, analisa-se como os vetores determinantes do grau de discricionariedade interagem no caso dos garantidores de depósitos, bem como as sugestões possivelmente inferíveis dessa verificação para os demais segmentos da regulação bancária.

Differences in the perception of interest representation: a comparision of Brasília and Brussels lobbying activity

The research topic of this paper is focused on the analysis of how trade associations perceive lobbying in Brussels and in Brasília. The analysis will be centered on business associations located in Brasília and Brussels as the two core centers of decision-making and as an attraction for the lobbying practice. The underlying principles behind the comparison between Brussels and Brasilia are two. Firstof all because the European Union and Brazil have maintained diplomatic relations since 1960. Through these relations they have built up close historical, cultural, economic and political ties. Their bilateral political relations culminated in 2007 with the establishment of a Strategic Partnership (EEAS website,n.d.). Over the years, Brazil has become a key interlocutor for the EU and it is the most important market for the EU in Latin America (European Commission, 2007). Taking into account the relations between EU and Brazil, this research could contribute to the reciprocal knowledge about the perception of lobby in the respective systems and the importance of the non-market strategy when conducting business. Second both EU and Brazilian systems have a multi-level governance structure: 28 Member States in the EU and 26 Member States in Brazil; in both systems there are three main institutions targeted by lobbying practice. The objective is to compare how differences in the institutional environments affect the perception and practice of lobbying, where institutions are defined as ‘‘regulative, normative, and cognitive structures and activities that provide stability and meaning to social behavior’’ (Peng et al., 2009). Brussels, the self-proclaimed "Capital of Europe”, is the headquarters of the European Union and has one of the highest concentrations of political power in the world. Four of the seven Institutions of the European Union are based in Brussels: the European Parliament, the European Council, the Council and the European Commission (EU website, n.d.). As the power of the EU institutions has grown, Brussels has become a magnet for lobbyists, with the latest estimates ranging from between 15,000 and 30,000 professionals representing companies, industry sectors, farmers, civil society groups, unions etc. (Burson Marsteller, 2013). Brasília is the capital of Brazil and the seat of government of the Federal District and the three branches of the federal government of Brazilian legislative, executive and judiciary. The 4 city also hosts 124 foreign embassies. The presence of the formal representations of companies and trade associations in Brasília is very limited, but the governmental interests remain there and the professionals dealing with government affairs commute there. In the European Union, Brussels has established a Transparency Register that allows the interactions between the European institutions and citizen’s associations, NGOs, businesses, trade and professional organizations, trade unions and think tanks. The register provides citizens with a direct and single access to information about who is engaged in This process is important for the quality of democracy, and for its capacity to deliver adequate policies, matching activities aimed at influencing the EU decision-making process, which interests are being pursued and what level of resources are invested in these activities (Celgene, n.d). It offers a single code of conduct, binding all organizations and self-employed individuals who accept to “play by the rules” in full respect of ethical principles (EC website, n.d). A complaints and sanctions mechanism ensures the enforcement of the rules and addresses suspected breaches of the code. In Brazil, there is no specific legislation regulating lobbying. The National Congress is currently discussing dozens of bills that address regulation of lobbying and the action of interest groups (De Aragão, 2012), but none of them has been enacted for the moment. This work will focus on class lobbying (Oliveira, 2004), which refers to the performance of the federation of national labour or industrial unions, like CNI (National Industry Confederation) in Brazil and the European Banking Federation (EBF) in Brussels. Their performance aims to influence the Executive and Legislative branches in order to defend the interests of their affiliates. When representing unions and federations, class entities cover a wide range of different and, more often than not, conflicting interests. That is why they are limited to defending the consensual and majority interest of their affiliates (Oliveira, 2004). The basic assumption of this work is that institutions matter (Peng et al, 2009) and that the trade associations and their affiliates, when doing business, have to take into account the institutional and regulatory framework where they do business.

Self-assembling of phenothiazine compounds investigated by small-angle X-ray scattering and electron paramagnetic resonance spectroscopy

Small-angle X-ray scattering (SAXS) and electron paramagnetic resonance (EPR) have been carried out to investigate the structure of the self-aggregates of two phenothiazine drugs, chlorpromazine (CPZ) and trifluoperazine (TFP), in aqueous solution. In the SAXS studies, drug solutions of 20 and 60 mM, at pH 4.0 and 7.0, were investigated and the best data fittings were achieved assuming several different particle form factors with a homogeneous electron density distribution in respect to the water environment. Because of the limitation of scattering intensity in the q range above 0.15 angstrom(-1), precise determination of the aggregate shape was not possible and all of the tested models for ellipsoids, cylinders, or parallelepipeds fitted the experimental data equally well. The SAXS data allows inferring, however, that CPZ molecules might self-assemble in a basis set of an orthorhombic cell, remaining as nanocrystallites in solution. Such nanocrystals are composed of a small number of unit cells (up to 10, in c-direction), with CPZ aggregation numbers of 60-80. EPR spectra of 5- and 16-doxyl stearic acids bound to the aggregates were analyzed through simulation, and the dynamic and magnetic parameters were obtained. The phenothiazine concentration in EPR experiments was in the range of 5-60 mM. Critical aggregation concentration of TFP is lower than that for CPZ, consistent with a higher hydrophobicity of TFP. At acidic pH 4.0 a significant residual motion of the nitroxide relative to the aggregate is observed, and the EPR spectra and corresponding parameters are similar to those reported for aqueous surfactant micelles. However, at pH 6.5 a significant motional restriction is observed, and the nitroxide rotational correlation times correlate very well with those estimated for the whole aggregated particle from SAXS data. This implies that the aggregate is densely packed at this pH and that the nitroxide is tightly bound to it producing a strongly immobilized EPR spectrum. Besides that, at pH 6.5 the differences in motional restriction observed between 5- and 16-DSA are small, which is different from that observed for aqueous surfactant micelles.

An Optimum-Path Forest framework for intrusion detection in computer networks

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

A framework for monitoring and runtime recovery of web service-based applications

Service provisioning is a challenging research area for the design and implementation of autonomic service-oriented software systems. It includes automated QoS management for such systems and their applications. Monitoring, Diagnosis and Repair are three key features of QoS management. This work presents a self-healing Web service-based framework that manages QoS degradation at runtime. Our approach is based on proxies. Proxies act on meta-level communications and extend the HTTP envelope of the exchanged messages with QoS-related parameter values. QoS Data are filtered over time and analysed using statistical functions and the Hidden Markov Model. Detected QoS degradations are handled with proxies. We experienced our framework using an orchestrated electronic shop application (FoodShop).

Reengenharia do framework cosmos: uma solução para prover suporte e adaptações abertas.

Self-adaptive software system is able to change its structure and/or behavior at runtime due to changes in their requirements, environment or components. One way to archieve self-adaptation is the use a sequence of actions (known as adaptation plans) which are typically defined at design time. This is the approach adopted by Cosmos - a Framework to support the configuration and management of resources in distributed environments. In order to deal with the variability inherent of self-adaptive systems, such as, the appearance of new components that allow the establishment of configurations that were not envisioned at development time, this dissertation aims to give Cosmos the capability of generating adaptation plans of runtime. In this way, it was necessary to perform a reengineering of the Cosmos Framework in order to allow its integration with a mechanism for the dynamic generation of adaptation plans. In this context, our work has been focused on conducting a reengineering of Cosmos. Among the changes made to in the Cosmos, we can highlight: changes in the metamodel used to represent components and applications, which has been redefined based on an architectural description language. These changes were propagated to the implementation of a new Cosmos prototype, which was then used for developing a case study application for purpose of proof of concept. Another effort undertaken was to make Cosmos more attractive by integrating it with another platform, in the case of this dissertation, the OSGi platform, which is well-known and accepted by the industry

Instanciação e avaliação de um framework para a geração dinâmica de processos

One way to deal with the high complexity of current software systems is through selfadaptive systems. Self-adaptive system must be able to monitor themselves and their environment, analyzing the monitored data to determine the need for adaptation, decide how the adaptation will be performed, and finally, make the necessary adjustments. One way to perform the adaptation of a system is generating, at runtime, the process that will perform the adaptation. One advantage of this approach is the possibility to take into account features that can only be evaluated at runtime, such as the emergence of new components that allow new architectural arrangements which were not foreseen at design time. In this work we have as main objective the use of a framework for dynamic generation of processes to generate architectural adaptation plans on OSGi environment. Our main interest is evaluate how this framework for dynamic generation of processes behave in new environments

Self-consistent quantum effects in the quark meson coupling model

We derive the equation of state of nuclear matter for the quark-meson coupling model taking into account quantum fluctuations of the σ meson as well as vacuum polarization effects for the nucleons. This model incorporates explicitly quark degrees of freedom with quarks coupled to the scalar and vector mesons. Quantum fluctuations lead to a softer equation of state for nuclear matter giving a lower value of incompressibility than would be reached without quantum effects. The in-medium nucleon and σ-meson masses are also calculated in a self-consistent manner. The spectral function of the σ meson is calculated and the σ mass has the value increased with respect to the purely classical approximation at high densities.

Tax performance and reform in the Organization of Eastern Caribbean States (OECS)

Includes bibliography

Energy efficiency potential in Jamaica: challenges, opportunities and strategies for implementation

Incluye Bibliografía

Self-trapping of Fermi and Bose gases under spatially modulated repulsive nonlinearity and transverse confinement

We show that self-localized ground states can be created in the spin-balanced gas of fermions with repulsion between the spin components, whose strength grows from the center to periphery, in combination with the harmonic-oscillator (HO) trapping potential acting in one or two transverse directions. We also consider the ground state in the noninteracting Fermi gas under the action of the spatially growing tightness of the one- or two-dimensional (1D or 2D) HO confinement. These settings are considered in the framework of the Thomas-Fermi-von Weizsäcker (TF-vW) density functional. It is found that the vW correction to the simple TF approximation (the gradient term) is nearly negligible in all situations. The properties of the ground state under the action of the 2D and 1D HO confinement with the tightness growing in the transverse directions are investigated too for the Bose-Einstein condensate with the self-repulsive nonlinearity. © 2013 American Physical Society.