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2012
Brás, C. P., W. W. Hager, and J. J. Júdice. "An investigation of feasible descent algorithms for estimating the condition number of a matrix." TOP - Journal of the Spanish Society of Statistics and Operations Research. 20 (2012): 791-809. AbstractWebsite

Techniques for estimating the condition number of a nonsingular matrix are developed. It is shown that Hager's 1-norm condition number estimator is equivalent to the conditional gradient algorithm applied to the problem of maximizing the 1-norm of a matrix-vector product over the unit sphere in the 1-norm. By changing the constraint in this optimization problem from the unit sphere to the unit simplex, a new formulation is obtained which is the basis for both conditional gradient and projected gradient algorithms. In the test problems, the spectral projected gradient algorithm yields condition number estimates at least as good as those obtained by the previous approach. Moreover, in some cases, the spectral gradient projection algorithm, with a careful choice of the parameters, yields improved condition number estimates.

Guimarães, D., M. L. Carvalho, M. Becker, A. von Bohlen, V. Geraldes, I. Rocha, and J. P. Santos. "Lead concentration in feces and urine of exposed rats by x-ray fluorescence and electrothermal atomic absorption spectrometry." X-Ray Spectrom.. 41 (2012): 80. Abstract

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Ramos, Tania Rodrigues Pereira, Maria Isabel Gomes, and Ana Paula Barbosa-póvoa. "Minimizing CO2 Emissions in a Recyclable Waste Collection System with Multiple Depots." EUROMA/POMS Joint Conference. 2012. 1-11. Abstracteuroma_2012_fullpaper_final.pdf

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Cunha, Jácome, João Saraiva, and Joost Visser. "Model-Based Programming Environments for Spreadsheets." Programming Languages. Eds. Francisco de Carvalho Junior, and Luis Barbosa. Vol. 7554. Lecture Notes in Computer Science, 7554. Springer Berlin / Heidelberg, 2012. 117-133. Abstractsblp12.pdf

Although spreadsheets can be seen as a flexible programming environment, they lack some of the concepts of regular programming languages, such as structured data types. This can lead the user to edit the spreadsheet in a wrong way and perhaps cause corrupt or redundant data. We devised a method for extraction of a relational model from a spreadsheet and the subsequent embedding of the model back into the spreadsheet to create a model-based spreadsheet programming environment. The extraction algorithm is specific for spreadsheets since it considers particularities such as layout and column arrangement. The extracted model is used to generate formulas and visual elements that are then embedded in the spreadsheet helping the user to edit data in a correct way. We present preliminary experimental results from applying our approach to a sample of spreadsheets from the EUSES Spreadsheet Corpus.

Brazinha, C., A. P. Fonseca, H. Pereira, O. M. N. D. Teodoro, and J. G. C. Crespo. "Modelling gas permeation based on the morphology of a natural polymer material." Procedia Engineering. Vol. 44. 2012. 529-531. Abstract2012_modelling_gas_permeation.pdf

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Mouquinho, AI, K. T. Petrova, M. T. Barros, and J. C. Sotomayor. "New Polymer Networks for PDLC Films Application." New Polymers for Special Applications . Ed. A. De-Souza-Gomes. Rijeka: InTech, 2012. 139-164.
Zeballos, L. J., M. I. Gomes, A. P. Barbosa-Povoa, and A. Q. Novais. "Optimum Design and Planning of Resilient and Uncertain Closed-Loop Supply Chains." 22nd European Symposium on Computer Aided Process Engineering. Eds. Ian David Lockhart Bogle, and Michael Fairweather. Vol. 30. Computer Aided Chemical Engineering, 30. London: Elsevier, 2012. 407-411. Abstract

The design and planning of efficient supply chains (SC) is a major challenge that increases when the return of products has to be accounted for, the so-called closed-loop supply chains (CLSC). In the present work the effect of disruptions and modifications in the operating conditions of CLSCs are investigated on the basis of a 2-stage scenario based model previously developed by the authors. Metrics derived from graph theory are used, along with more conventional economic and operational indices. A discussion on the results obtained is presented to assess how the design and planning of the CLSC respond to these challenges and how these metrics may contribute to this objective.

Boavida, Nuno, António B. Moniz, Torsten Fleischer, Sophie Kuppler, Andreas Lösch, Jens Schippl, and Judith Simon. "Perspectives on Technology, Society and Innovation." TATuP - Zeitschrift für Technikfolgenabschätzung in Theorie und Praxis. 21.3 (2012): 92-95. AbstractWebsite

To focus on processes of scientific and technological design and on how newly designed objects are used in different ways than initially intended (“displaced”), the organizers (the Society for Social Studies on Science-4S and the European Association of Studies on Science and Technology-EASST) chose the conference theme “Design and Displacement”. The concept of design here referred to innovative processes in forming new ideas and material objects. This general idea was reflected in a multitude of sub-topics.

Bernardo, M., N. Lapa, M. Gonçalves, B. Mendes, F. Pinto, I. Fonseca, and H. Lopes. "Physico-chemical properties of chars obtained in the co-pyrolysis of waste mixtures." Journal of Hazardous Materials. 219-220 (2012): 196-202. AbstractWebsite

The present work aims to perform a multistep upgrading of chars obtained in the co-pyrolysis of PE, PP and PS plastic wastes, pine biomass and used tires. The quality of the upgraded chars was evaluated by measuring some of their physico-chemical properties in order to assess their valorisation as adsorbents’ precursors. The crude chars were submitted to a sequential solvent extraction with organic solvents of increasing polarity (hexane, mixture 1:1 v/v hexane:acetone and acetone) followed by an acidic demineralization procedure with 1 M HCl solution. The results obtained showed that the upgrading treatment allow the recovery of 63–81% of the pyrolysis oils trapped in the crude chars and a reduction in the char's ash content in the range of 64–86%. The textural and adsorption properties of the upgraded chars were evaluated and the results indicate that the chars are mainly mesoporous and macroporous materials, with adsorption capacities in the range of 3.59–22.2 mg/g for the methylene blue dye. The upgrading treatment allowed to obtain carbonaceous materials with quality to be reused as adsorbents or as precursors for activated carbon.

Peça, I. N., K. T. Petrova, M. M. Cardoso, and M. T. Barros. "Preparation and Characterization of Polymeric Nanoparticles Composed of Poly(DL-lactide-co-glycolide) and Poly(DL-lactide-co-glycolide)-co-poly(ethylene glycol) 10%Triblock end-capped with a galactose moiety." React. Funct. Polym. 72.10 (2012): 729-735. DOI: 10.1016/j.reactfunctpolym.2012.06.019.
Morgado, Carmen, and Fernanda Barbosa Presentation Problem in CS1 courses. Proc. of 17th Annual Conference on Innovation and Technology in Computer Science Education (ITICSE). Haifa, Israel, 2012.
Pimenta, J., FMV Dias, C. C. Marques, M. C. Baptista, M. I. Vasques, A. E. M. Horta, J. P. Barbas, R. Soares, P. Mesquita, E. Cabrita, CMGA Fontes, J. A. Prates, and R. M. Pereira. "The Prion-like Protein Doppel Enhances Ovine Spermatozoa Fertilizing Ability." Reproduction in Domestic Animals. 47.2 (2012): 196-202. Abstract

The function of prion-like protein Doppel was suggested to be related to male fertility. In this study, the importance of ovine Doppel polypeptide on spermatozoa capacitation and fertilization was evaluated. After refolding, recombinant Doppel (rDpl) was supplemented with different concentrations (40, 80 or 190 ng/ml) to ovine spermatozoa during the capacitation process. In experiment 1, post-thawed ovine spermatozoa were incubated with different concentrations of rDpl during 1 h for swim-up, and changes in sperm motility, concentration, vigour, viability and capacitation were monitored (10 replicates). In experiment 2, the fertilization ability of post-swim-up spermatozoa incubated as above was tested through heterologous fertilization of bovine in vitro matured oocytes (n = 423, three replicates). Regardless of dosage, rDpl improved (p = 0.03) spermatozoa viability. Sperm individual motility and vigour were the highest (p = 0.04) for the group receiving 190 ng/ml rDpl. Sperm supplemented with the highest doses of rDpl achieved higher (p = 0.02) fertilization rates (56.0 +/- 3.0%) than control (39.1 +/- 2.2%) and 40 ng/ml rDpl (39.8 +/- 2.7%). Preliminary data suggest that Doppel protein may enhance in vitro spermatozoa fertilizing ability.

Pinho, Fernando F. S., Válter J. G. Lúcio, and Manuel F. C. BAIÃO. "Rubble Stone Masonry Walls in Portugal Strengthened with Reinforced Micro-Concrete Layers." Bulletin of Earthquake Engineering. 10.ISSN 1570-761X. DOI 10.1007/s10518-011-9280-4 (2012): 161-180.
Morgado, Carmen, and Fernanda Barbosa A Structured Approach to Problem Solving in CS1. Proc. of 17th Annual Conference on Innovation and Technology in Computer Science Education (ITICSE). Haifa, Israel, 2012.
Bernardo, M., N. Lapa, M. Gonçalves, B. Mendes, and F. Pinto. "Study of the organic extraction and acid leaching of chars obtained in the pyrolysis of plastics, tire rubber and forestry biomass wastes." Procedia Engineering. 42 (2012): 1909-1916. AbstractWebsite

The present work aims to perform a characterization of chars obtained in the co-pyrolysis of waste mixtures composed by plastics, tires and pine biomass, to provide knowledge about the composition, leaching behavior and risk assessment of these materials in order to define strategies for their possible valorization or safe disposal. The chars were submitted to sequential solvent extractions with organic solvents of increasing polarity that allow the recovery of significant amounts of the pyrolysis oils trapped in the crude chars improving the yield of the pyrolysis liquids. An acidic demineralization procedure was successfully applied to the chars and high efficiency removals of the majority of the heavy metals were achieved. The demineralization study also demonstrated that hazardous heavy metals such as chromium, nickel and cadmium are significantly immobilized in the char matrix, and other heavy metals of concern such as zinc and lead will not represent a leaching problem if acidic conditions were not used. The obtained chars present sufficient quality and characteristics to be used as fuel or alternatively, to be used as adsorbents or precursors of activated carbon.

da Silva, Mara Soares, Raquel Viveiros, Ana Aguiar-Ricardo, Vasco D. B. Bonifacio, and Teresa Casimiro. "Supercritical fluid technology as a new strategy for the development of semi-covalent molecularly imprinted materials." RSC Adv.. 2 (2012): 5075-5079. AbstractPDFWebsite

Molecularly imprinted polymeric particles with molecular recognition towards Bisphenol A (BPA) were synthesized for the first time using the semi-covalent imprinting approach in supercritical carbon dioxide (scCO2). The material{'}s affinity to BPA was achieved by co-polymerizing ethylene glycol dimethacrylate (EGDMA) with a template-containing monomer{,} Bisphenol A dimethacrylate (BPADM) in scCO2. Bisphenol A is then cleaved from the polymeric matrix by hydrolysis with tetrabutylammonium hydroxide (n-Bu4OH) also in a supercritical environment{,} taking advantage of the high diffusivity of scCO2. The selectivity of the molecular imprinted polymer (MIP) was assessed by evaluating its capability to bind BPA in comparison with progesterone and [small alpha]-ethinylestradiol. In addition{,} the cross-linked particles were used to prepare a PMMA-based hybrid imprinted membrane by a scCO2-assisted phase inversion method. Results show that the incorporation of MIP particles was able to confer molecular affinity to BPA to the membrane and that at dynamic conditions of filtration{,} this imprinted porous structure was able to adsorb a higher amount of BPA than the corresponding non-imprinted hybrid membrane. Our work represents a valuable greener alternative to conventional methods{,} for the synthesis of affinity materials which are able to maintain molecular recognition properties in water.

Martins, R. M. S., F. Beckmann, R. Castanhinha, O. Mateus, R. Araújo, and P. K. Pranzas Synchrotron radiation-based micro-computed tomography applied to the characterization of dinosaur fossils from the Lourinhã Formation. 1 st . Meeting of Synchrotron Radiation Users from Portugal. Caparica, Portugal, 2012.martins_et_al_2012_tomography_enurs_martins-rui_dinosaurfossils.pdf
Faísca-Phillips, A. M., and M. T. Barros. "Synthesis of geminal bisphosphonates via organocatalyzed enantioselective Michael additions of cyclic ketones and 4-piperidones." Org. Biomol. Chem.. 10 (2012): 404-412.
Martins, R. M. S., R. Araújo, O. Mateus, R. Castanhinha, P. K. Pranzas, and F. Beckmann. "Tomography applied to the study of dinosaur fossils from the collection of the museum of Lourinhã (Portugal)." I Congresso Internacional GeoCiencias na CPL. Coimbra: Univ. Coimbra, 2012. martins_et_al_2012_abstract.pdf
Baquinha, Pedro, Rodrigo Martins, Luis Pereira, and Elvira Fortunato Transparent Oxide Electronics. Wiley, 2012.
Baptista, Susana, Maria Isabel Gomes, and Ana Paula Barbosa-povoa. "A Two-Stage Stochastic Model for the Design and Planning of a Multi-Product Closed Loop Supply Chains." 22nd European Symposium on Computer Aided Process Engineering. Eds. Ian David Lockhart Bogle, and Michael Fairweather. Vol. 30. Computer Aided Chemical Engineering, 30. London: Elsevier, 2012. 412-416. Abstractpreprint_baptistagomesbarbosa-povoa2012_escape22.pdf

In this paper we address the problem of uncertainty in the design and planning of a multi-period, multi-product closed loop supply chain, where the recovered products are end-of-life products that are disassembled and recycled. Uncertainty is explicitly modelled by considering customers’ demands and returns to be stochastic. A two–stage model is developed where first stage decisions concern the facility location while second stage decisions are the production planning of the supply chain. The integer L- shaped method was adopted as the solution tool and computational tests were performed on multi-period and multi-commodity networks randomly generated based on a reference case. A comparison between the proposed solution method and the straight use of the CPLEX is performed.

Gião, R., V. Lúcio, C. Chastre, and A. Bras UFRG – Unidirectional fibre reinforced grout as strengthening material for reinforced concrete structures. BEFIB2012 – Fibre reinforced concrete. Guimarães: UMinho, 2012. Abstract

The present study is part of an extensive research project, where the main objective is to evaluate a strengthening solution for reinforced concrete structures using a small thickness jacketing in the compression side of the RC element with unidirectional fiber reinforced grout - UFRG.
For this purpose a high performance cementitious grout reinforced with continuous and unidirectional non woven fibermat has been developed. It was expected that the use of these type of fibers allowed an optimization of its percentage and orientation. It was expected that the use of these type of fibers allowed an optimization of its percentage and orientation. Besides, for continuous fibers (with an aspect ratio, defined as the length-to-diameter ratio, l/d=∞), the composite should attain higher tensile strength since the fiber embedment length is enough to prevent fiber pullout.
The experimental campaign included a set of preliminary tests that allowed the design of the fiber reinforced grout, sustained with rheological parameters [7] and mechanical characterization tests of the materials.
Finally, an experimental campaign was carried out in order to proceed to the mechanical characterization of the unidirectional fiber reinforced grout. Compressive tests were conducted in small thickness tubular specimens that enable the determination of the compressive strength and the static modulus of elasticity of the material. The tensile strength of the material was obtained using splitting tests of cubic specimens (according the standard DIN 1048-5). The experimental results are presented and analyzed.

Zeballos, Luis J., Maria Isabel Gomes, Ana Paula Barbosa-póvoa, and Augusto Q. Novais. "Uncertain quality and quantity of returns in a closed-loop supply chain." Foundations of Computer-aided Process Operations. Savannah, USA 2012. Abstract

In this work the design and planning of a Closed-Loop Supply Chain (CLSC) under uncertain conditions is considered and a two-stage scenario-based modeling approach is proposed in order to deal with this multi-product, multi-period problem. The network design and tactical plan are simultaneously optimized in a given time horizon, comprehending the raw material acquisition and the processing, storage and distribution of intermediates, returns and final products. Uncertainty is associated to the returns, both in terms of their quantity, which is customer dependent, and quality, which is determined at the sorting centers. Therefore, the ensuing mathematical MILP formulation considers the simultaneous integration of two important uncertainty sources, which represents an important modeling advantage, allowing a better understanding of the reverse network structure. For each probabilistic scenario, the model estimates the amount of products to be returned by customers and of returns to be remanufactured for each quality level, as well as the storage levels. Several tests based on a real sized example of a Portuguese glass company are undertaken in order to show the applicability of the developed approach. Based on these tests, the influence of the uncertain quality and quantity of returns on the design and planning of the CLSC is assessed.

Carvalho, T., V. Augusto, A. R. Brás, N. M. T. Lourenço, CAM Afonso, S. Barreiros, N. T. Correia, P. Vidinha, E. J. Cabrita, M. Dionísio, and B. Roling. "Understanding the Ion Jelly Conductivity Mechanism." Journal of Physical Chemistry B. 116 (2012): 2664-2676. Abstract

The properties of the light flexible device, ion jelly, which combines gelatin with an ionic liquid (IL) were recently reported being promising to develop safe and highly conductive electrolytes. This article aims for the understanding of the ion jelly conductive mechanism using dielectric relaxation spectroscopy (DRS) in the frequency range 10−1−106 Hz; the study was complemented with differential scanning calorimetry (DSC) and pulse field gradient nuclear magnetic resonance (PFG NMR) spectroscopy. The room temperature ionic liquid 1-butyl-3-methylimmidazolium dicyanamide (BMIMDCA) used as received (1.9% w/w water content) and with 6.6% (w/w) of water content and two ion jellies with two different ratios BMIMDCA/gelatin/water % (w/w), IJ1 (41.1/46.7/12.2) and IJ3 (67.8/25.6/6.6), have been characterized. A glass transition was detected by DSC for all materials allowing for classifying them as glass formers. For the ionic liquid, it was observed that the glass transition temperature decreases with the increase of water content. While in subsequent calorimetric runs crystallization was observed for BMIMDCA with negligible water content, no crystallization was detected for any of the ion jelly materials upon themal cycling. To the dielectric spectra of all tested materials, both dipolar relaxation and conductivity contribute; at the lowest frequencies, electrode and interfacial polarization highly dominate. Conductivity, which manifests much more intensity relative to dipolar reorientations, strongly evidences subdiffusive ion dynamics at high frequencies. From dielectric measures, transport properties as mobility and diffusion coefficients were extracted. Data treatment was carried out in order to deconvolute the average diffusion coefficients estimated from dielectric data in its individual contributions of cations (D+) and anions (D−). The D+ values thus obtained for IJ3, the ion jelly with the highest IL/gelatin ratio, cover a large temperature range up to room temperature and revealed excellent agreement with direct measurements from PFG NMR, obeying to the same VFT equation. For BMIMDCA6.6%water, which has the same water amount as IJ3, the diffusion coefficients were only estimated from DRS measurements over a limited temperature range; however, a single VFT equation describes both DRS and PFG NMR data. Moreover, it was found that the diffusion coefficients and mobility are similar for the ionic liquid and IJ3, which points to a role of both water and gelatin weakening the contact ion pair, facilitating the translational motion of ions and promoting its dissociation; nevertheless, it is conceivable that a critical composition of gelatin that leads to those properties. The VFT temperature dependence observed for the conductivity was found to be determined by a similar dependence of the mobility. Both conductivity and segmental motion revealed to be correlated as inferred by the relatively low values of the decoupling indexes. The obtained results show that ion jelly could be in fact a very promising material to design novel electrolytes for different electrochemical devices, having a performance close to the IL but presenting an additional stability regarding electrical measurements and resistance against crystallization relative to the bulk ionic liquid.

Barbosa, Rui, Diogo Dias, Nuno Lapa, and Benilde Mendes. "Using biomass ashes in concretes exposed to salted water and freshwater: mechanical and chemical properties." Advanced Materials Research. 587 (2012): 16-20. AbstractWebsite

The main aim of this work was to assess the possibility of using biomass ashes as substitutes for cement and natural aggregates in concretes without compromising their mechanical and chemical properties. Thirteen concrete formulations were prepared with different percentages of bottom and fly ashes produced at a forest biomass power plant. These formulations were submitted to mechanical compressive strength assays, after 28, 60 and 90 days of maturation. The reference formulation F1 that was produced without biomass ashes and one formulation incorporating fly and bottom ashes, F4, were selected for further characterization. After 90 days of maturation, the selected formulations were submitted to the leaching test described in the European Standard EN12457-2 (L/S ratio of 10 L/kg, in a batch extraction cycle of 24h) by using two different leaching agents: a synthetic marine medium (ASPM medium) and a synthetic freshwater medium (ISO 6341 medium). The eluates produced were submitted to chemical characterization which comprised a set of metals (As, Sb, Se, Cu, Zn, Ba, Hg, Cd, Mo, Pb, Ni, Cr, Cr VI, Al, Fe, Mg, Na, K and Ca), pH, SO42-, F-, dissolved organic carbon, chlorides, phenolic compounds and total dissolved solids. The substitution of 10% cement by fly ashes has not promoted the reduction of the compressive strength of concrete. The new formulation F4 has presented emission levels of chemical species similar or even lower to those observed for the reference formulation F1.