Search results for "DF"
showing 10 items of 1699 documents
Semantic Web Enabled Web Services: State-of-Art and Industrial Challenges
2003
Semantic Web technology has a vision to define and link Web data in a way that it can be understood and used by machines for automation, integration and reuse of data across various applications. Ontological definition of every resource as it is assumed in Semantic Web, along with new techniques for semantics processing and new vision Intelligent Web Services is expected to bring Web on its new level. At present, Web Services technology is stressed by the search of a right way for further development. Combination of Semantic Web and Web Services concepts may address many of difficulties of existing technology. It is not a question of whether Semantic Web is coming or not, but a question of …
Mercury and selenium in fish and shellfish: Occurrence, bioaccessibility and uptake by Caco-2 cells
2012
This study evaluates Hg and Se concentrations and bioaccessibility (element solubilised after simulated gastrointestinal digestion) in 16 raw seafood species consumed in Spain. The concentrations varied greatly (Hg, 3.8-1621 ng/g wet weight, ww; Se, 84-1817 ng/g ww). Only one sample of swordfish exceeded the Hg limit permitted in Spain (1mg/kg), and for this sample the Hg/Se molar ratio and Se Health Benefit Value food safety criteria also indicated the presence of a risk. Bioaccessibility of Hg (35-106%) and Se (17-125%) was very variable and the Hg/Se molar ratio in the bioaccessible fraction was less than one for all samples. Transport by Caco-2 cells, an intestinal epithelium model, was…
Conservation of Ptilostemon greuteri (Asteraceae), an endemic climate relict from Sicily (Italy): state of knowledge after the discovery of a second …
2022
Ptilostemon greuteri is one of the most endangered and poorly studied woody vascular plant species of the Mediterranean Basin, endemic to Sicily (Italy). Several peculiar traits confer to P. greuteri a character of uniqueness and an enigmatic attractiveness. In fact, at first glimpse the largest individuals of this species remind the most remarkable and peculiar cases of herbaceous genera (e.g., Echium, Senecio) turned woody on insular or insular-like mountain ecosystems. Following the discovery of a second population of this rare species, a project aiming at the study and conservation of P. greuteri was set up. We present here updated information on the distribution, conservation status, b…
Theoretical study on hydrogen storage capacity of expanded h-BN systems
2017
In this work, the hydrogen storage capacity of the expanded hexagonal Boron Nitride (eh-BN) systems has been presented. We have employed a new equation of state (EOS) for hydrogen gas to figure out the hydrogen density distribution profiles in the eh-BN systems. In this regard, the environmental conditions (i.e., temperature and pressure) are considered in the prediction procedure using DFT single point calculations. The eh-BN systems with different layer spacings are studied by PBE method with consideration of the long range dispersion corrections. On account of the in-plane polar bonds, a series of adsorption positions are considered. Additionally, the adsorption energy and hydrogen densi…
On the impact of side methyl groups on the structure and vibrational properties of β-carotenoids. The case of butadiene and isoprene
2021
Abstract Theoretical consideration about the impact of methyl groups on the structure and vibrational properties of β-carotenoids, using medium size molecules of trans-butadiene and trans-isoprene, are reported. Density functional theory (DFT) calculations with correlation-consistent and polarization-consistent basis sets were applied to trans-1,3-butadiene and trans-isoprene as the smallest building bricks of β-carotenoids. Their structure and harmonic vibrations were estimated in the complete basis set limit (CBS) using the non-linear least square fit. Optimized geometries and harmonic frequencies, obtained with B3LYP and BLYP density functionals and large basis sets, were favorably repro…
2D slab models of TiO2 nanotubes for simulation of water adsorption: Validation over a diameter range
2020
Financial support provided by Scientific Research Project for Students and Young Researchers Nr. SJZ/2019/2 realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, project CAMART 2 .
Non-uniform Sediment Transport Estimation in Non-equilibrium Situations: Case Studies
2014
Abstract Quantitative estimate of sediment transport in alluvial channels is one of the most important task in river engineering. Even today, numerical models of sediment transport processes are confronted with some difficulties, often of conceptual nature. One of these difficulties is the simulation of non-uniform sediment transport in non-equilibrium situations, which requires the characterization of the ability of the alluvial system to immediately overcome the variations of the sediment boundary conditions. In this work a 1-D numerical model, which includes a new expression of the so-called “adaptation coefficient”, has been applied to test its capability to simulate the transient bed p…
Structural, energetic and kinetic database of catalytic reactions: Benzyl alcohol to benzaldehyde oxidation on MnOx clusters
2021
Abstract Data here reported are connected with the research article “Benzyl Alcohol to Benzaldehyde Oxidation on MnO x Clusters: Unraveling Atomistic Features” Gueci et al. [1] . This work described and discussed structural and energetic results, calculated by Density Functional Theory (DFT). In order to get kinetic information, DFT results were refined by an original approach, which will be shortly described in the following article. The crossed analysis of experimental and computational energetic and kinetic data allowed to (i) reconstruct the complicated lattice that connects the primary and secondary mechanisms of the reaction and (ii) identify alternative process pathways capable of by…
Similarity Mashups for Recommendation
2013
Recommendation systems are becoming a state of the art for web-based systems as they produce additional product exposure and customer satisfaction. The Semantic Web and mashups can improve recommendation systems and provide new ways for their creation. In the web it is possible to analyze product descriptions and to use Linked Data for characterizing the similarity of objects or of objects and user interests. In this chapter, we give a brief overview of existing technical approaches and tools for creating recommendation systems that can be used to create mashups as recommendation systems.
Library for model querying
2012
Query and transformation languages make it easy to work with models, but they are bound to one particular data store. That makes them hard to adopt in projects where data is stored in a different repository, which hinders more widespread use of transformations and models. Instead of adopting a transformation language to a new data store, we propose to build a query and transformation library for the general-purpose language that is already used in a project. In this paper we demonstrate that it can be easily by implementing such a library for an EMOF-like data store in the Lua language.