© 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. Next-generation electrical nanoimprinting of a polymeric data sheet based on charge trapping phenomena is reported here. Carbon nanoparticles (CNPs) (waste carbon product) are deployed into a polymeric matrix (polyaniline) (PANI) as a charge trapping layer. The data are recorded on the CNPs-filled polyaniline device layer by “electro-typing” under a voltage pulse (VET, from ±1 to ±7 V), which is applied to the device layer through a localized charge-injection method. The core idea of this device is to make an electrical image through the charge trapping mechanism, which can be “read” further by the subsequent electrical mapping. The density of stored charges at the carbon–polyaniline layer, near the metal/polymer interface, is found to depend on the voltage amplitude, i.e., the number of injected charge carriers. The relaxation of the stored charges is studied by different probe voltages and for different devices, depending on the percolation of the CNPs into the PANI. The polymeric data sheet retains the recorded data for more than 6 h, which can be refreshed or erased at will. Also, a write–read–erase–read cycle is performed for the smallest “bit” of stored information through a single contact between the probe and the device layer.

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Oxide electronic materials provide a plethora of possible applications and offer ample opportunity for scientists to probe into some of the exciting and intriguing phenomena exhibited by oxide systems and oxide interfaces. In addition to the already diverse spectrum of properties, the nanoscale form of oxides provides a new dimension of hitherto unknown phenomena due to the increased surface-to-volume ratio. Oxide electronic materials are becoming increasingly important in a wide range of applications including transparent electronics, optoelectronics, magnetoelectronics, photonics, spintronics, thermoelectrics, piezoelectrics, power harvesting, hydrogen storage and environmental waste management. Synthesis and fabrication of these materials, as well as processing into particular device structures to suit a specific application is still a challenge. Further, characterization of these materials to understand the tunability of their properties and the novel properties that evolve due to their nanostructured nature is another facet of the challenge. The research related to the oxide electronic field is at an impressionable stage, and this has motivated us to contribute with a roadmap on 'oxide electronic materials and oxide interfaces'. This roadmap envisages the potential applications of oxide materials in cutting edge technologies and focuses on the necessary advances required to implement these materials, including both conventional and novel techniques for the synthesis, characterization, processing and fabrication of nanostructured oxides and oxide-based devices. The contents of this roadmap will highlight the functional and correlated properties of oxides in bulk, nano, thin film, multilayer and heterostructure forms, as well as the theoretical considerations behind both present and future applications in many technologically important areas as pointed out by Venkatesan. The contributions in this roadmap span several thematic groups which are represented by the following authors: novel field effect transistors and bipolar devices by Fortunato, Grundmann, Boschker, Rao, and Rogers; energy conversion and saving by Zaban, Weidenkaff, and Murakami; new opportunities of photonics by Fompeyrine, and Zuniga-Perez; multiferroic materials including novel phenomena by Ramesh, Spaldin, Mertig, Lorenz, Srinivasan, and Prellier; and concepts for topological oxide electronics by Kawasaki, Pentcheva, and Gegenwart. Finally, Miletto Granozio presents the European action 'towards oxide-based electronics' which develops an oxide electronics roadmap with emphasis on future nonvolatile memories and the required technologies. In summary, we do hope that this oxide roadmap appears as an interesting up-to-date snapshot on one of the most exciting and active areas of solid state physics, materials science, and chemistry, which even after many years of very successful development shows in short intervals novel insights and achievements.

Journal of Quantitative Spectroscopy and Radiative Transfer, 174 + (2016) 79-87. doi:10.1016/j.jqsrt.2016.01.026

A novel metalloprotein containing a unique [S2MoS2CuS2MoS2](3-) cluster, designated as Orange Protein (ORP), was isolated for the first time from Desulfovibrio gigas, a sulphate reducer. The orp operon is conserved in almost all sequenced Desulfovibrio genomes and in other anaerobic bacteria, however, so far D. gigas ORP had been the only ORP characterized in the literature. In this work, the purification of another ORP isolated form Desulfovibrio alaskensis G20 is reported. The native protein is monomeric (12443.8 +/- 0.1 Da by ESI-MS) and contains also a MoCu cluster with characteristic absorption bands at 337 and 480 nm, assigned to S-Mo charge transfer bands. Desulfovibrio alaskensis G20 recombinant protein was obtained in the apo-form from E. coli. Cluster reconstitution studies and UV-visible titrations with tetrathiomolybdate of the apo-ORP incubated with Cu ions indicate that the cluster is incorporated in a protein metal-assisted synthetic mode and the protein favors the 2Mo:1Cu stoichiometry. In Desulfovibrio alaskensis G20, the orp genes are encoded by a polycistronic unit composed of six genes whereas in Desulfovibrio vulgaris Hildenborough the same genes are organized into two divergent operons, although the composition in genes is similar. The gene expression of ORP (Dde_3198) increased 6.6 +/- 0.5 times when molybdate was added to the growth medium but was not affected by Cu(II) addition, suggesting an involvement in molybdenum metabolism directly or indirectly in these anaerobic bacteria.

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.

The importance of understanding interactomes makes preeminent the study of protein interactions and protein complexes. Traditionally, protein interactions have been elucidated by experimental methods or, with lower impact, by simulation with protein docking algorithms. This article describes features and applications of the BiGGER docking algorithm, which stands at the interface of these two approaches. BiGGER is a user-friendly docking algorithm that was specifically designed to incorporate experimental data at different stages of the simulation, to either guide the search for correct structures or help evaluate the results, in order to combine the reliability of hard data with the convenience of simulations. Herein, the applications of BiGGER are described by illustrative applications divided in three Case Studies: (Case Study A) in which no specific contact data is available; (Case Study B) when different experimental data (e.g., site-directed mutagenesis, properties of the complex, NMR chemical shift perturbation mapping, electron tunneling) on one of the partners is available; and (Case Study C) when experimental data are available for both interacting surfaces, which are used during the search and/or evaluation stage of the docking. This algorithm has been extensively used, evidencing its usefulness in a wide range of different biological research fields.

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

Abstract The present work shows the effect of magnesium doping on structural, optoelectrical and electrical properties of Cu2O thin films prepared by spray pyrolysis. The variation in the concentration of Mg shows significant impact on the final thin film properties, whereas the film doped with 0.5 at{%} of Mg exhibited major property improvements in comparison with the undoped thin film and among the other concentrations tested. This condition was further applied for the deposition of an absorber layer in a heterojunction solar cell array with a gradient in thicknesses of active layers to investigate the impact of changing thicknesses on the PV parameters of the solar cell. TiO2 was used as a window layer and the 0.5 at{%} Cu2O doped film as an absorber layer. The produced heterojunction solar cell array was further exposed to a rapid thermal annealing treatment. The I–V measurements show an open circuit voltage of up to 365 mV and a short circuit current density, which is dependent on absorber layer thickness, and reaches to a maximum value of 0.9 mA/cm2.

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.

© 2016, Springer-Verlag Berlin Heidelberg.The glaze and in-glaze pigments of the historical nineteenth-century glazed tiles from the Pena National Palace (Sintra, Portugal) were characterized using a multi-analytical approach. Chemical composition and microstructural characterization were ascertained by µ-PIXE, µ-Raman, optical microscopy and VP-SEM–EDS. The manufacturing technique and colour palette in these tiles were found to be close to the ceramic pigments used in traditional majolica. The blue and purple colours derive from cobalt oxide and manganese oxide, respectively. A mixture of Pb–Sn–Sb yellow with cobalt oxide and iron oxide was used for green and dark yellow, respectively, while grey tonalities consist of a complex mixture of cobalt oxide, manganese oxide and Pb–Sn–Sb yellow in different proportions. Results obtained allowed the determination of the oxides and elements used in pigments as well as production techniques, resorting to traditional majolica manufacture, although the tiles were produced by the end of the nineteenth century.

This study focuses on the assessment of the degradation processes occurring in three sandstone infills of fossilized Late Jurassic ornithopod tridactyl footprints, found in 2001 in a coastline cliff in Porto das Barcas (Lourinhã, Portugal) and exhibited in a museum display since 2004. These dinosaur footprints present nowadays severe decay phenomena compromising their physical integrity and are leading gradually to their loss of value. The deterioration patterns were recorded, a map of their distribution was prepared and several samples were collected both in the dinosaur footprints and in the coastline cliff. Different analytical procedures were applied such as XRD, FTIR, FESEM and Ion Chromatography. A microclimatic survey was also performed and air temperature and relative humidity was measured during eight months both indoor and also outdoor. The decay patterns observed are a combination intrinsic and extrinsic factors the stone material, namely swelling of clay minerals in the rock matrix (smectite and chlorite-smectite mixed-layer), presence of salts (mainly chlorides), application of past conservation treatments (poly(vinyl) acetate and epoxy resins) and with the museum's indoor thermohygrometric conditions (mainly non-stable hygrometric conditions). This scientific knowledge is therefore essential to the sustainable preservation of this paleontological heritage.