Two-photon absorption spectra of carotenoids compounds

Carotenoids are biosynthetic organic pigments that constitute an important class of one-dimensional pi-conjugated organic molecules with enormous potential for application in biophotonic devices. In this context, we studied the degenerate two-photon absorption (2PA) cross-section spectra of two carotenoid compounds (beta-carotene and beta-apo-8'-carotenal) employing the conventional and white-light-continuum Z-scan techniques and quantum chemistry calculations. Because carotenoids coexist at room temperature as a mixture of isomers, the 2PA spectra reported here are due to samples containing a distribution of isomers, presenting distinct conjugation length and conformation. We show that these compounds present a defined structure on the 2PA spectra, that peaks at 650 nm with an absorption cross-section of approximately 5000 GM, for both compounds. In addition, we observed a 2PA band at 990 nm for beta-apo-8'-carotenal, which was attributed to a overlapping of I(I)B(u) +-like and 2(I)Ag(-)-like states, which are strongly one- and two-photon allowed, respectively. Spectroscopic parameters of the electronic transitions to singlet-excited states, which are directly related to photophysical properties of these compounds, were obtained by fitting the 2PA spectra using the sum-over-states approach. The analysis and interpretations of the 2PA spectra of the investigated carotenoids were supported by theoretical predictions of one- and two-photon transitions carried out using the response functions formalism within the density functional theory framework, using the long-range corrected CAM-B3LYP functional. (C) 2011 American Institute of Physics. [doi:10.1063/1.3590157]

Atomistic origins of the phase transition mechanism in Ge(2)Sb(2)Te(5)

The fast and reversible phase transition mechanism between crystalline and amorphous phases of Ge(2)Sb(2)Te(5) has been in debate for several years. Through employing first-principles density functional theory calculations, we identify a direct structural link between the metastable crystalline and amorphous phases. The phase transition is driven by the displacement of Ge atoms along the rocksalt [111] direction from stable octahedron to high energy unstable tetrahedron sites close to the intrinsic vacancy regions, which generates a high energy intermediate phase between metastable and amorphous phases. Due to the instability of Ge at the tetrahedron sites, the Ge atoms naturally shift away from those sites, giving rise to the formation of local-ordered fourfold motifs and the long-range structural disorder. Intrinsic vacancies, which originate from Sb(2)Te(3), lower the energy barrier for Ge displacements, and hence, their distribution plays an important role in the phase transition. The high energy intermediate configuration can be obtained experimentally by applying an intense laser beam, which overcomes the thermodynamic barrier from the octahedron to tetrahedron sites. The high figure of merit of Ge(2)Sb(2)Te(5) is achieved from the optimal combination of intrinsic vacancies provided by Sb(2)Te(3) and the instability of the tetrahedron sites provided by GeTe.

UQ eSpace Poster

UQ eSpace (http://espace.uq.edu.au/) is The University of Queensland's institutional digital repository. The poster outlines all the different ways academic staff and postgraduate students can make use of the repository.

Scalable Visualization of Galaxies, Oceans, and Brains

One of the challenges in scientific visualization is to generate software libraries suitable for the large-scale data emerging from tera-scale simulations and instruments. We describe the efforts currently under way at SDSC and NPACI to address these challenges. The scope of the SDSC project spans data handling, graphics, visualization, and scientific application domains. Components of the research focus on the following areas: intelligent data storage, layout and handling, using an associated “Floor-Plan” (meta data); performance optimization on parallel architectures; extension of SDSC’s scalable, parallel, direct volume renderer to allow perspective viewing; and interactive rendering of fractional images (“imagelets”), which facilitates the examination of large datasets. These concepts are coordinated within a data-visualization pipeline, which operates on component data blocks sized to fit within the available computing resources. A key feature of the scheme is that the meta data, which tag the data blocks, can be propagated and applied consistently. This is possible at the disk level, in distributing the computations across parallel processors; in “imagelet” composition; and in feature tagging. The work reflects the emerging challenges and opportunities presented by the ongoing progress in high-performance computing (HPC) and the deployment of the data, computational, and visualization Grids.

Hyperspectral subspace identification

Signal subspace identification is a crucial first step in many hyperspectral processing algorithms such as target detection, change detection, classification, and unmixing. The identification of this subspace enables a correct dimensionality reduction, yielding gains in algorithm performance and complexity and in data storage. This paper introduces a new minimum mean square error-based approach to infer the signal subspace in hyperspectral imagery. The method, which is termed hyperspectral signal identification by minimum error, is eigen decomposition based, unsupervised, and fully automatic (i.e., it does not depend on any tuning parameters). It first estimates the signal and noise correlation matrices and then selects the subset of eigenvalues that best represents the signal subspace in the least squared error sense. State-of-the-art performance of the proposed method is illustrated by using simulated and real hyperspectral images.

A contribuição da informática para o desenvolvimento sustentável: o exemplo do conceito de grid computing

Este trabalho foi realizado sob orientação do Prof. António Brandão Moniz para a disciplina “Factores Sociais da Inovação” do Mestrado Engenharia Informática realizado na Faculdade de Ciências e Tecnologia da Universidade Nova de Lisboa (Portugal)

C3G - A portuguese collaboration for geology, geodesy and geophysics

Portugal joined the effort to create the EPOS infrastructure in 2008, and it became immediately apparent that a national network of Earth Sciences infrastructures was required to participate in the initiative. At that time, FCT was promoting the creation of a national infrastructure called RNG - Rede Nacional de Geofísica (National Geophysics Network). A memorandum of understanding had been agreed upon, and it seemed therefore straightforward to use RNG (enlarged to include relevant participants that were not RNG members) as the Portuguese partner to EPOS-PP. However, at the time of signature of the EPOS-PP contract with the European Commission (November 2010), RNG had not gained formal identity yet, and IST (one of the participants) signed the grant agreement on behalf of the Portuguese consortium. During 2011 no progress was made towards the formal creation of RNG, and the composition of the network – based on proposals submitted to a call issued in 2002 – had by then become obsolete. On February 2012, the EPOS national contact point was mandated by the representatives of the participating national infrastructures to request from FCT the recognition of a new consortium - C3G, Collaboratory for Geology, Geodesy and Geophysics - as the Portuguese partner to EPOS-PP. This request was supported by formal letters from the following institutions: ‐ LNEG. Laboratório Nacional de Energia e Geologia (National Geological Survey); ‐ IGP ‐ Instituto Geográfico Português (National Geographic Institute); ‐ IDL, Instituto Dom Luiz – Laboratório Associado ‐ CGE, Centro de Geofísica de Évora; ‐ FCTUC, Faculdade de Ciências e Tecnologia da Universidade de Coimbra; ‐ Instituto Superior de Engenharia de Lisboa; ‐ Instituto Superior Técnico; ‐ Universidade da Beira Interior. While Instituto de Meteorologia (Meteorological Institute, in charge of the national seismographic network) actively supports the national participation in EPOS, a letter of support was not feasible in view of the organic changes underway at the time. C3G aims at the integration and coordination, at national level, of existing Earth Sciences infrastructures, namely: ‐ seismic and geodetic networks (IM, IST, IDL, CGE); ‐ rock physics laboratories (ISEL); ‐ geophysical laboratories dedicated to natural resources and environmental studies; ‐ geological and geophysical data repositories; ‐ facilities for data storage and computing resources. The C3G - Collaboratory for Geology, Geodesy and Geophysics will be coordinated by Universidade da Beira Interior, whose Department of Informatics will host the C3G infrastructure.

Anotação colaborativa de conteúdos utilizando jogos com propósito

Com o crescimento da informação disponível na Web, arquivos pessoais e profissionais, protagonizado tanto pelo aumento da capacidade de armazenamento de dados, como pelo aumento exponencial da capacidade de processamento dos computadores, e do fácil acesso a essa mesma informação, um enorme fluxo de produção e distribuição de conteúdos audiovisuais foi gerado. No entanto, e apesar de existirem mecanismos para a indexação desses conteúdos com o objectivo de permitir a pesquisa e acesso aos mesmos, estes apresentam normalmente uma grande complexidade algorítmica ou exigem a contratação de pessoal altamente qualificado, para a verificação e categorização dos conteúdos. Nesta dissertação pretende-se estudar soluções de anotação colaborativa de conteúdos e desenvolver uma ferramenta que facilite a anotação de um arquivo de conteúdos audiovisuais. A abordagem implementada é baseada no conceito dos “Jogos com Propósito” (GWAP – Game With a Purpose) e permite que os utilizadores criem tags (metadatos na forma de palavras-chave) de forma a atribuir um significado a um objecto a ser categorizado. Assim, e como primeiro objectivo, foi desenvolvido um jogo com o propósito não só de entretenimento, mas também que permita a criação de anotações audiovisuais perante os vídeos que são apresentados ao jogador e, que desta forma, se melhore a indexação e categorização dos mesmos. A aplicação desenvolvida permite ainda a visualização dos conteúdos e metadatos categorizados, e com o objectivo de criação de mais um elemento informativo, permite a inserção de um like num determinado instante de tempo do vídeo. A grande vantagem da aplicação desenvolvida reside no facto de adicionar anotações a pontos específicos do vídeo, mais concretamente aos seus instantes de tempo. Trata-se de uma funcionalidade nova, não disponível em outras aplicações de anotação colaborativa de conteúdos audiovisuais. Com isto, o acesso aos conteúdos será bastante mais eficaz pois será possível aceder, por pesquisa, a pontos específicos no interior de um vídeo.

Fast mobility support in low-power wireless networks: smart-HOP over RPL/6LoWPAN

With the emergence of low-power wireless hardware new ways of communication were needed. In order to standardize the communication between these low powered devices the Internet Engineering Task Force (IETF) released the 6LoWPAN stand- ard that acts as an additional layer for making the IPv6 link layer suitable for the lower-power and lossy networks. In the same way, IPv6 Routing Protocol for Low- Power and Lossy Networks (RPL) has been proposed by the IETF Routing Over Low power and Lossy networks (ROLL) Working Group as a standard routing protocol for IPv6 routing in low-power wireless sensor networks. The research performed in this thesis uses these technologies to implement a mobility process. Mobility management is a fundamental yet challenging area in low-power wireless networks. There are applications that require mobile nodes to exchange data with a xed infrastructure with quality-of-service guarantees. A prime example of these applications is the monitoring of patients in real-time. In these scenarios, broadcast- ing data to all access points (APs) within range may not be a valid option due to the energy consumption, data storage and complexity requirements. An alternative and e cient option is to allow mobile nodes to perform hand-o s. Hand-o mechanisms have been well studied in cellular and ad-hoc networks. However, low-power wireless networks pose a new set of challenges. On one hand, simpler radios and constrained resources ask for simpler hand-o schemes. On the other hand, the shorter coverage and higher variability of low-power links require a careful tuning of the hand-o parameters. In this work, we tackle the problem of integrating smart-HOP within a standard protocol, speci cally RPL. The simulation results in Cooja indicate that the pro- posed scheme minimizes the hand-o delay and the total network overhead. The standard RPL protocol is simply unable to provide a reliable mobility support sim- ilar to other COTS technologies. Instead, they support joining and leaving of nodes, with very low responsiveness in the existence of physical mobility.

Support System for Rational Use of Electric Energy

This paper presents the system developed to promote the rational use of electric energy among consumers and, thus, increase the energy efficiency. The goal is to provide energy consumers with an application that displays the energy consumption/production profiles, sets up consuming ceilings, defines automatic alerts and alarms, compares anonymously consumers with identical energy usage profiles by region and predicts, in the case of non-residential installations, the expected consumption/production values. The resulting distributed system is organized in two main blocks: front-end and back-end. The front-end includes user interface applications for Android mobile devices and Web browsers. The back-end provides data storage and processing functionalities and is installed in a cloud computing platform - the Google App Engine - which provides a standard Web service interface. This option ensures interoperability, scalability and robustness to the system.

Pesquisa segura de dados em redes de sensores

Dissertação apresentada na Faculdade de Ciências e Tecnologia da Universidade Nova de Lisboa para a obtenção do Grau de Mestre em Engenharia Informática

Unsupervised hyperspectral signal subspace identification

Hyperspectral imaging sensors provide image data containing both spectral and spatial information from the Earth surface. The huge data volumes produced by these sensors put stringent requirements on communications, storage, and processing. This paper presents a method, termed hyperspectral signal subspace identification by minimum error (HySime), that infer the signal subspace and determines its dimensionality without any prior knowledge. The identification of this subspace enables a correct dimensionality reduction yielding gains in algorithm performance and complexity and in data storage. HySime method is unsupervised and fully-automatic, i.e., it does not depend on any tuning parameters. The effectiveness of the proposed method is illustrated using simulated data based on U.S.G.S. laboratory spectra and real hyperspectral data collected by the AVIRIS sensor over Cuprite, Nevada.

Sistema de apoio à racionalização da utilização de energia eléctrica

Esta dissertação descreve o sistema de apoio à racionalização da utilização de energia eléctrica desenvolvido no âmbito da unidade curricular de Tese/Dissertação. O domínio de aplicação enquadra-se no contexto da Directiva da União Europeia 2006/32/EC que declara ser necessário colocar à disposição dos consumidores a informação e os meios que promovam a redução do consumo e o aumento da eficiência energética individual. O objectivo é o desenvolvimento de uma solução que permita a representação gráfica do consumo/produção, a definição de tectos de consumo, a geração automática de alertas e alarmes, a comparação anónima com clientes com perfil idêntico por região e a previsão de consumo/produção no caso de clientes industriais. Trata-se de um sistema distribuído composto por front-end e back-end. O front-end é composto pelas aplicações de interface com o utilizador desenvolvidas para dispositivos móveis Android e navegadores Web. O back-end efectua o armazenamento e processamento de informação e encontra-se alojado numa plataforma de cloud computing – o Google App Engine – que disponibiliza uma interface padrão do tipo serviço Web. Esta opção assegura interoperabilidade, escalabilidade e robustez ao sistema. Descreve-se em detalhe a concepção, desenvolvimento e teste do protótipo realizado, incluindo: (i) as funcionalidades de gestão e análise de consumo e produção de energia implementadas; (ii) as estruturas de dados; (iii) a base de dados e o serviço Web; e (iv) os testes e a depuração efectuados. (iv) Por fim, apresenta-se o balanço deste projecto e efectuam-se sugestões de melhoria.

Ferramenta Inteligente de Recolha de Dados

À medida que são feitas modificações nas legislações em vigor em relação às energias renováveis, de forma a incentivar o uso destas, surge a necessidade de sincronização do consumo da instalação com a sua própria produção. As empresas líderes de mercado já possuem soluções que permitem a recolha de dados das instalações fotovoltaicas para posterior monitorização e disponibilização ao cliente. Contudo, estas soluções possuem pontos negativos tais como o preço e limitações na potência instalada permitida. Neste contexto, este documento apresenta a descrição de uma solução que serve como uma alternativa muito mais barata às soluções apresentadas pelas principais marcas mundiais no âmbito desta área, além de ser a única solução disponível desenvolvida em território nacional. Como prova da funcionalidade da solução, são descritos e apresentados diferentes tipos de testes, que simulam a interação de um utilizador com a solução desenvolvida, levados a cabo em instalações solares fotovoltaicas reais, sendo os seus resultados analisados e evidenciando a facilidade de utilização desta solução.

Synthesis and characterization of novel 4H-pyran-4-ylidene indole-based heterocyclic systems for several optical applications

The development of organic materials displaying high two-photon absorption (TPA) has attracted much attention in recent years due to a variety of potential applications in photonics and optoelectronics, such as three-dimensional optical data storage, fluorescence imaging, two-photon microscopy, optical limiting, microfabrication, photodynamic therapy, upconverted lasing, etc. The most frequently employed structural motifs for TPA materials are donor–pi bridge–acceptor (D–pi–A) dipoles, donor–pi bridge–donor (D–pi–D) and acceptor–pi bridge-acceptor (A–pi–A) quadrupoles, octupoles, etc. In this work we present the synthesis and photophysical characterization of quadrupolar heterocyclic systems with potential applications in materials and biological sciences as TPA chromophores. Indole is a versatile building block for the synthesis of heterocyclic systems for several optoelectronic applications (chemosensors, nonlinear optical, OLEDs) due to its photophysical properties and donor electron ability and 4H-pyran-4-ylidene fragment is frequently used for the synthesis of red light-emitting materials. On the other hand, 2-(2,6-dimethyl-4H-pyran-4-ylidene)malononitrile (1) and 1,3-diethyl-dihydro-5-(2,6-dimethyl-4H-pyran-4-ylidene)-2-thiobarbituric (2) units are usually used as strong acceptor moieties for the preparation of π-conjugated systems of the push-pull type. These building blocks were prepared by Knoevenagel condensation of the corresponding ketone precursor with malononitrile or 1,3-diethyl-dihydro-2-thiobarbituric acid. The new quadrupolar 4H-pyran-4-ylidene fluorophores (3) derived from indole were prepared through condensation of 5-methyl-1H-indole-3-carbaldehyde with the acceptor precursors 1 and 2, in the presence of a catalytical amount of piperidine. The new compounds were characterized by the usual spectroscopic techniques (UV-vis., FT-IR and multinuclear NMR - 1H, 13C).