Spectrochimica Acta Part B: Atomic Spectroscopy, 120 (2016) 30-36. doi:10.1016/j.sab.2016.03.014

Visible-light-driven Ca1-xLnxMnO3 (Ln=Sm, Ho; 0.1≤x≤0.4) films were grown by RF- magnetron sputtering onto fused silica substrates. The effects of Ca2+ substitution for Ho3+ or Sm3+ in Ca1-xLnxMnO3 on the structural, morphological and photocatalytic properties for Rhodamine 6G dye degradation under visible light irradiation were investigated. XRD showed a pure typical perovskite phase for all the prepared films, except for Ca0.9Ho0.1MnO3 and a decrease of the crystallite size with the increase of the amount of ion substituted. SEM and AFM revealed that the films surface is dense, with low roughness. UV-vis spectroscopy indicated for the two series band gaps in the range of 1.6 - 2.8eV, being lower for the films containing holmium. The results showed that some Ca1-xHoxMnO3 and Ca1-xSmxMnO3 films present higher photocatalytic activity for Rh6G degradation in comparison with TiO2 films and for the same x value the Ho-films exhibited higher photocatalytic activity. For both films series the maximal degradation rate was obtained for x=0.2; above this content the degradation percentage exhibits a decreasing trend with the increase of Ho or Sm substitution, except for x=0.4 in the case of Ho system, which is observed again an increase in the degradation rate. The Rh6G photocatalytic degradation followed a pseudo first-order reaction kinetics. XRD and SEM of the used photocatalysts evidenced high photochemical stability.

Neisseria gonorrhoeae colonizes the genitourinary track, and in these environments, especially in the female host, the bacteria are subjected to low levels of oxygen, and reactive oxygen and nitrosyl species. Here, the biochemical characterization of N. gonorrhoeae Laz is presented, as well as, the solution structure of its soluble domain determined by NMR. N. gonorrhoeae Laz is a type 1 copper protein of the azurin-family based on its spectroscopic properties and structure, with a redox potential of 277+/-5 mV, at pH7.0, that behaves as a monomer in solution. The globular Laz soluble domain adopts the Greek-key motif, with the copper center located at one end of the beta-barrel coordinated by Gly48, His49, Cys113, His118 and Met122, in a distorted trigonal geometry. The edge of the His118 imidazole ring is water exposed, in a surface that is proposed to be involved in the interaction with its redox partners. The heterologously expressed Laz was shown to be a competent electron donor to N. gonorrhoeae cytochrome c peroxidase. This is an evidence for its involvement in the mechanism of protection against hydrogen peroxide generated by neighboring lactobacilli in the host environment.

During the course of evolution, the cellulosome, one of Nature's most intricate multi-enzyme complexes, has been continuously fine-tuned to efficiently deconstruct recalcitrant carbohydrates. To facilitate the uptake of released sugars, anaerobic bacteria use highly ordered protein-protein interactions to recruit these nanomachines to the cell surface. Dockerin modules located within a non-catalytic macromolecular scaffold, whose primary role is to assemble cellulosomal enzymatic subunits, bind cohesin modules of cell envelope proteins, thereby anchoring the cellulosome onto the bacterial cell. Here we have elucidated the unique molecular mechanisms used by anaerobic bacteria for cellulosome cellular attachment. The structure and biochemical analysis of five cohesin-dockerin complexes revealed that cell surface dockerins contain two cohesin-binding interfaces, which can present different or identical specificities. In contrast to the current static model, we propose that dockerins utilize multivalent modes of cohesin recognition to recruit cellulosomes to the cell surface, a mechanism that maximises substrate access while facilitating complex assembly.

Spectrochimica Acta Part B: Atomic Spectroscopy, 122 (2016) 114-117. doi:10.1016/j.sab.2016.06.006

Talanta, 155 + (2016) 107-115. doi:10.1016/j.talanta.2016.04.028

We report the 94 % assignment of DVU2108, a protein belonging to the Orange Protein family, that in Desulfovibrio vulgaris Hildenborough forms a protein complex named the Orange Protein complex. This complex has been shown to be implicated in the cell division of this organism. DVU2108 is a conserved protein in anaerobic microorganisms and in Desulfovibrio gigas the homologous protein was isolated with a novel Mo-Cu cluster non-covalently attached to the polypeptide chain. However, the heterologously produced DVU2108 did not contain any bound metal. These assignments provide the means to characterize the interaction of DVU2108 with the proteins that form the Orange Protein complex using NMR methods.

Portable X-ray fluorescence spectrometers (p-XRF) have been used in many fields of application/studies like art, archaeology, heavy metals in soil, rocks and ores characterization, and have been a powerful tool for a rapid non-destructive in-situ analysis, without any sample preparation required. This approach was applied in the present case, to distinguish the origin of the fossil bones of two dinosaur specimens from different localities that were accidentally put together in the museum a few years ago. Fossil bones with sedimentary matrix associated were stored together until today in the collection of Geological Museum (Lisbon) and regarded as one single specimen. One set of bones is part of the holotype MG 5787 of the ankylosaur Dracopelta zbyszweskii, which was discovered at Praia do Sul, and described in 1980, while the other, is an undescribed half skeleton of dacentrurine stegosaur, unearthed in the 1960’s at Atouguia da Baleia, near Peniche (both in the coast of central Portugal, distanced about 100 km from each other). Since both specimens are highly valuable for paleontology, a study was developed with the aim of separating and reconstituting the two specimens. The handheld p-XRF (Genius 9000+7000 from Skyray Instrument) was directly used in the sedimentary matrix when it was separated from the bone, and the measure of the chemical content was performed in the intermediate layer between the surface and the bone, to avoid contaminations. Although the light elements could not be attained, because the analyzer is not equipped with the option of gas charging system, the spectra obtained showed differences mainly in the ratio K/Ca, allowing distinguishing the provenance of the bones (Atouguia or Praia do Sul). These results were compared with chemical analysis obtained with XRF laboratorial equipment and complemented by the mineralogical study through X-ray diffraction (XRD) of the sediments where the bones fossilized. The difference observed in the mineralogical constitution of the sedimentary matrix from the two localities (mainly quartz, calcite, feldspars and micas with variable content) explains the variation in the values found for the ratio K/Ca (<0.5 for Atouguia and >>1 for Praia do Sul). The data obtained will be presented and discussed focusing on the importance of using a portable X-ray fluorescence analyzer applied to the reconstitution of dinosaur fossils that proved to be very useful in the present case.

Energy consumption is becoming an evident concern to software developers. This is even more notorious due to the propagation of mobile devices. Such propagation of devices is also influencing software development: a software system is now developed has a set of similar products sharing common features.
In this short paper, we describe our methodology aim at static and accurately predict the energy consumption of software products in such variability systems, typically called software product lines.

The wind energy production is a growing industry and the energy produced is renewable and environmentally cleaner than most of the other systems. The towers to support the wind energy generators may be built with precast concrete elements that are competitive in comparison to other structural systems. The evolution of the technology for wind energy production shows a clear need for larger wind turbines and longer blades and, consequently, taller towers, where precast concrete solutions are competitive. Truss precast concrete towers is a solution that complies with the demands of the present and future wind energy production. The research on the execution and structural behaviour of the connections between the tower elements is an important issue. This communication presents the experimental analysis of column to column connections for precast concrete towers. The tests included connections with commercial threaded bars welded to the rebars and connections with grouted corrugated steel sleeves. Thick joints (50 mm) filled with fibre reinforced grout and thin joints (3 mm) filled with epoxy resin were tested and analysed.

Floods are recurrent events that can have a catastrophic impact. In this work we are interested in the analysis of a data set of gauged daily flows from the Whiteadder Water river, Scotland. Using statistic techniques based on extreme value theory, we estimate several extreme value parameters, including extreme quantiles and return periods of high levels.Floods are recurrent events that can have a catastrophic impact. In this work we are interested in the analysis of a data set of gauged daily flows from the Whiteadder Water river, Scotland. Using statistic techniques based on extreme value theory, we estimate several extreme value parameters, including extreme quantiles and return periods of high levels.

The complex data exchange between architectural design and building energy simulation constitutes the main challenge in the use of energy performance analyses in the early design stage. The enhancement of BIM model data with additional specific energy-related information and the subsequent mapping to the input of an energy analysis or simulation tool is yet an open issue. This paper examines three approaches for the data transfer from 3D CAD applications to building performance simulations using BIM as central data repository and points out their current and envisaged use in practice. The first approach addresses design scenarios. It focuses on the supporting tools needed to achieve interoperability given a 74 wide-spread commercial BIM model (Autodesk Revit) and a dedicated pre-processing tool (DesignBuilder) for EnergyPlus. The second approach is similar but addresses retrofitting scenarios. In both workflows gbXML is used as the transformation format. In the third approach a standard BIM model, IFC is used as basis for the transfer process for any relevant lifecycle phase.

This document has a broad scope and is not focussed on design issues. Precast construction under seismic conditions is treated as a whole. The main principles of seismic design of different structural systems, their behavior and their construction techniques are presented through rules, construction steps and sequences, procedures, and details that should lead to precast structures built in seismic areas complying with the fundamental performance requirements of collapse prevention and life safety in major earthquakes and limited damage in more frequent earthquakes.The content of this document is largely limited to conventional precast construction and, although some information is provided on the well-known “PRESSS technology” (jointed ductile dry connections), this latter solution is not treated in detail in this document.The general overview, contained in this document, of alternative structural systems and connection solutions available to achieve desired performance levels, intends to provide engineers, architects, clients, and end-users (in general) with a better appreciation of the wide range of applications that modern precast concrete technology can have in various types of construction from industrial to commercial as well as residential. Lastly, the emphasis on practical aspects, from conceptual design to connection detailing, aims to help engineers to move away from the habit of blindly following prescriptive codes in their design, but instead go back to basic principles, in order to achieve a more robust understanding, and thus control, of the seismic behaviour of the structural system as a whole, as well as of its components and individual connections.

O reforço estrutural com materiais de matriz polimérica reforçada com fibras (FRP) em diferentes tipos de elementos estruturais, e.g. pilares, vigas, lajes ou arcos, tem sido objecto de vários estudos. No entanto, os estudos sobre a avaliação da aderência entre ligações coladas em superfícies curvas são muito limitados, não se conhecendo trabalhos, quer analíticos ou numéricos, que se debrucem ainda sobre o efeito da temperatura neste tipo de ligações coladas. Todavia, os trabalhos disponíveis na literatura indicam, de forma unânime, que o descolamento do FRP da superfície curva exige a interacção entre os modos de fractura I e II. Neste sentido, o presente estudo propõe o desenvolvimento de uma solução analítica simples para simular ligações CFRP/betão com superfícies curvas de raio constante e que assumem ambas, isoladamente ou simulataneamente, as acções: (i) aplicação de uma força ao FRP; e (ii) uma a variação de temperatura. Dependendo dos coeficientes de dilatação térmica linear dos materiais colados e para níveis de temperatura não muito superiores à temperatura de transição vítrea (Tg) do FRP, o efeito da temperatura pode ser, do ponto de vista da resistência da ligação, prejudicial ou benéfico, ou seja, pode diminir ou aumentar a capacidade resistente da ligação. Diferentes critérios de rotura são adoptados e diferentes situações, e.g. raio da curva ou diferentes níveis de temperaturas, são abordadas. A solução analítica pressupõe que a lei de aderência relativamente ao modo II de fractura depende da temperatura e é representada por um exponencial, enquanto que para o modo I se assume uma lei de aderência do tipo linear com rotura frágil e cuja influência da temperatura é feita de acordo com os mesmos pressupostos da lei exponencial.

This paper presents a detailed study of the energy consumption of the different Java Collection Framework (JFC) implementations. For each method of an implementation in this framework, we present its energy consumption when handling different amounts of data. Knowing the greenest methods for each implementation, we present an energy optimization approach for Java programs: based on calls to JFC methods in the source code of a program, we select the greenest implementation. Finally, we present preliminary results of optimizing a set of Java programs where we obtained 6.2% energy savings.