Computational analysis of quinoxalines N,N-Dioxide and ITS Derivates

A quinoxalina e seus derivativos são uma importante classe de compostos heterocíclicos, onde os elementos N, S e O substituem átomos de carbono no anel. A fórmula molecular da quinoxalina é C8H6N2, formada por dois anéis aromáticos, benzeno e pirazina. É rara em estado natural, mas a sua síntese é de fácil execução. Modificações na estrutura da quinoxalina proporcionam uma grande variedade de compostos e actividades, tais como actividades antimicrobiana, antiparasitária, antidiabética, antiproliferativa, anti-inflamatória, anticancerígena, antiglaucoma, antidepressiva apresentando antagonismo do receptor AMPA. Estes compostos também são importantes no campo industrial devido, por exemplo, ao seu poder na inibição da corrosão do metal. A química computacional, ramo natural da química teórica é um método bem desenvolvido, utilizado para representar estruturas moleculares, simulando o seu comportamento com as equações da física quântica e clássica. Existe no mercado uma grande variedade de ferramentas informaticas utilizadas na química computacional, que permitem o cálculo de energias, geometrias, frequências vibracionais, estados de transição, vias de reação, estados excitados e uma variedade de propriedades baseadas em várias funções de onda não correlacionadas e correlacionadas. Nesta medida, a sua aplicação ao estudo das quinoxalinas é importante para a determinação das suas características químicas, permitindo uma análise mais completa, em menos tempo, e com menos custos.

Survey of trace elements (Al, As, Cd, Cr, Co, Hg, Mn, Ni, Pb, Se, and Si) in retail samples of flavoured and bottled waters

Concentrations of eleven trace elements (Al, As, Cd, Cr, Co, Hg, Mn, Ni, Pb, Se, and Si) were measured in 39 (natural and flavoured) water samples. Determinations were performed using graphite furnace electrothermetry for almost all elements (Al, As, Cd, Cr, Co, Mn, Ni, Pb, and Si). For Se determination hydride generation was used, and cold vapour generation for Hg. These techniques were coupled to atomic absorption spectrophotometry. The trace element content of still or sparkling natural waters changed from brand to brand. Significant differences between natural still and natural sparkling waters (p<0.001) were only apparent for Mn. The Mann–Whitney U-test was used to search for significant differences between flavoured and natural waters. The concentration of each element was compared with the presence of flavours, preservatives, acidifying agents, fruit juice and/or sweeteners, according to the labelled composition. It was shown that flavoured waters generally increase the trace element content. The addition of preservatives and acidifying regulators had a significant influence on Mn, Co, As and Si contents (p<0.05). Fruit juice can also be correlated to the increase of Co and As. Sweeteners did not provide any significant difference in Mn, Co, Se and Si content.

Two-type heterogeneous multiprocessor scheduling: Is there a phase transition? (Extended Abstract)

Consider the problem of non-migratively scheduling a set of implicit-deadline sporadic tasks to meet all deadlines on a two-type heterogeneous multiprocessor platform. We ask the following question: Does there exist a phase transition behavior for the two-type heterogeneous multiprocessor scheduling problem? We also provide some initial observations via simulations performed on randomly generated task sets.

Fractional generalization of memristor and higher order elements

Fractional calculus generalizes integer order derivatives and integrals. Memristor systems generalize the notion of electrical elements. Both concepts were shown to model important classes of phenomena. This paper goes a step further by embedding both tools in a generalization considering complex-order objects. Two complex operators leading to real-valued results are proposed. The proposed class of models generate a broad universe of elements. Several combinations of values are tested and the corresponding dynamical behavior is analyzed.

Partitioned scheduling of multimode systems on multiprocessor platforms: when to do the mode transition?

Systems composed of distinct operational modes are a common necessity for embedded applications with strict timing requirements. With the emergence of multi-core platforms protocols to handle these systems are required in order to provide this basic functionality.In this work a description on the problems of creating an effective mode-transition protocol are presented and it is proven that in some cases previous single-core protocols can not be extended to handle the mode-transition in multi-core.

A synchronous transition protocol with periodicity for global scheduling of multimode real-time systems on multiprocessors

We consider the global scheduling problem of multimode real-time systems upon identical multiprocessor platforms. During the execution of a multimode system, the system can change from one mode to another such that the current task set is replaced with a new task set. Thereby, ensuring that deadlines are met requires not only that a schedulability test is performed on tasks in each mode but also that (i) a protocol for transitioning from one mode to another is specified and (ii) a schedulability test for each transition is performed. In this paper, we extend the synchronous transition protocol SM-MSO in order to take into account mode-independent tasks [1], i.e., tasks of which the execution pattern must not be jeopardized by the mode changes.

Elements of scalable data processing

Cooperating objects (COs) is a recently coined term used to signify the convergence of classical embedded computer systems, wireless sensor networks and robotics and control. We present essential elements of a reference architecture for scalable data processing for the CO paradigm.

Modeling of the lung impedance using a fractional order ladder network with constant phase elements

The self similar branching arrangement of the airways makes the respiratory system an ideal candidate for the application of fractional calculus theory. The fractal geometry is typically characterized by a recurrent structure. This study investigates the identification of a model for the respiratory tree by means of its electrical equivalent based on intrinsic morphology. Measurements were obtained from seven volunteers, in terms of their respiratory impedance by means of its complex representation for frequencies below 5 Hz. A parametric modeling is then applied to the complex valued data points. Since at low-frequency range the inertance is negligible, each airway branch is modeled by using gamma cell resistance and capacitance, the latter having a fractional-order constant phase element (CPE), which is identified from measurements. In addition, the complex impedance is also approximated by means of a model consisting of a lumped series resistance and a lumped fractional-order capacitance. The results reveal that both models characterize the data well, whereas the averaged CPE values are supraunitary and subunitary for the ladder network and the lumped model, respectively.

Fractional electrical impedances in botanical elements

Fractional calculus (FC) is no longer considered solely from a mathematical viewpoint, and is now applied in many emerging scientific areas, such as electricity, magnetism, mechanics, fluid dynamics, and medicine. In the field of dynamical systems, significant work has been carried out proving the importance of fractional order mathematical models. This article studies the electrical impedance of vegetables and fruits from a FC perspective. From this line of thought, several experiments are developed for measuring the impedance of botanical elements. The results are analyzed using Bode and polar diagrams, which lead to electrical circuit models revealing fractional-order behaviour.

Energy Resource Management under the Influence of the Weekend Transition Considering an Intensive use of Electric Vehicles

Energy resource scheduling is becoming increasingly important, as the use of distributed resources is intensified and of massive electric vehicle is envisaged. The present paper proposes a methodology for day-ahead energy resource scheduling for smart grids considering the intensive use of distributed generation and Vehicle-to-Grid (V2G). This method considers that the energy resources are managed by a Virtual Power Player (VPP) which established contracts with their owners. It takes into account these contracts, the users' requirements subjected to the VPP, and several discharge price steps. The full AC power flow calculation included in the model takes into account network constraints. The influence of the successive day requirements on the day-ahead optimal solution is discussed and considered in the proposed model. A case study with a 33-bus distribution network and V2G is used to illustrate the good performance of the proposed method.

Sistemas de suporte no processo de transição para a vida pós-escolar de jovens com incapacidade

O presente estudo teve como objetivos: (i) analisar as redes de suporte e experiências na comunidade estabelecidas no processo de transição para a vida pós escolar de alunos com necessidades adicionais de suporte - considerando o ponto de vista dos professores de educação especial e dos próprios; (ii) e explorar em que medida o perfil de necessidades de apoio providenciado pela Escala de Intensidade de Apoios (SIS-C), poderá basear planos de suportes que promovam respostas mais orientadas para a participação social – tendo por base o processo de dois dos jovens em circunstâncias de transição para a vida pós-escolar. Para o efeito, foi desenvolvida uma pesquisa por inquérito, obtendo resposta de 50 professores de educação especial a um questionário vocacionado para o mapeamento das redes de suporte e das experiências na comunidade no processo de transição. Foi também conduzido um estudo de caso, onde se procedeu à entrevista de 2 jovens, suas famílias e equipas de suporte, e à análise documental dos seus processos, a fim de aferir a utilidade da SIS-C no processo de planeamento das respostas educativas. Os resultados deste estudo indicam que as redes sociais de suporte no processo de transição são essencialmente compostas por elementos dos contextos familiar e escolar, com necessidade de ampliar o envolvimento da comunidade. A participação cívica, e o envolvimento em atividades de recreação (como visitar amigos, passear/ conviver) são também experiências em necessidade de expansão. No estudo de caso, a SIS-C possibilitou uma maior orientação dos processos de avaliação e intervenção para a participação, bem como, uma identificação mais ampla de estratégias ambientais a implementar

Fate Hazardous elements in soils surrounding a coal-fired power plant complex

Proceedings of the 13th International UFZ-Deltares Conference on Sustainable Use and Management of Soil, Sediment and Water Resources - 9–12 June 2015 • Copenhagen, Denmark

Interlimb Coordination During Step-to-Step Transition and Gait Performance

Most energy spent in walking is due to step-to-step transitions. During this phase, the interlimb coordination assumes a crucial role to meet the demands of postural and movement control. The authors review studies that have been carried out regarding the interlimb coordination during gait, as well as the basic biomechanical and neurophysiological principles of interlimb coordination. The knowledge gathered from these studies is useful for understanding step-to-step transition during gait from a motor control perspective and for interpreting walking impairments and inefficiency related to pathologies, such as stroke. This review shows that unimpaired walking is characterized by a consistent and reciprocal interlimb influence that is supported by biomechanical models, and spinal and supraspinal mechanisms. This interlimb coordination is perturbed in subjects with stroke.

Trace Elements in Ambient Air at Porto Metropolitan Area—Checking for Compliance with New European Union (Eu) Air Quality Standards

Because of the scientific evidence showing that arsenic (As), cadmium (Cd), and nickel (Ni) are human genotoxic carcinogens, the European Union (EU) recently set target values for metal concentration in ambient air (As: 6 ng/m3, Cd: 5 ng/m3, Ni: 20 ng/m3). The aim of our study was to determine the concentration levels of these trace elements in Porto Metropolitan Area (PMA) in order to assess whether compliance was occurring with these new EU air quality standards. Fine (PM2.5) and inhalable (PM10) air particles were collected from October 2011 to July 2012 at two different (urban and suburban) locations in PMA. Samples were analyzed for trace elements content by inductively coupled plasma–mass spectrometry (ICP-MS). The study focused on determination of differences in trace elements concentration between the two sites, and between PM2.5 and PM10, in order to gather information regarding emission sources. Except for chromium (Cr), the concentration of all trace elements was higher at the urban site. However, results for As, Cd, Ni, and lead (Pb) were well below the EU limit/target values (As: 1.49 ± 0.71 ng/m3; Cd: 1.67 ± 0.92 ng/m3; Ni: 3.43 ± 3.23 ng/m3; Pb: 17.1 ± 10.1 ng/m3) in the worst-case scenario. Arsenic, Cd, Ni, Pb, antimony (Sb), selenium (Se), vanadium (V), and zinc (Zn) were predominantly associated to PM2.5, indicating that anthropogenic sources such as industry and road traffic are the main source of these elements. High enrichment factors (EF > 100) were obtained for As, Cd, Pb, Sb, Se, and Zn, further confirming their anthropogenic origin.