Search results for "Computer Science Application"
showing 10 items of 3998 documents
The nature of inter- and intramolecular interactions in F2OXe…HX (X= F, Cl, Br, I) complexes
2015
Electronic structure of the XeOF2 molecule and its two complexes with HX (X= F, Cl, Br, I) molecules have been studied in the gas phase using quantum chemical topology methods: topological analysis of electron localization function (ELF), electron density, ρ(r), reduced gradient of electron density |RDG(r)| in real space, and symmetry adapted perturbation theory (SAPT) in the Hilbert space. The wave function has been approximated by the MP2 and DFT methods, using APF-D, B3LYP, M062X, and B2PLYP functionals, with the dispersion correction as proposed by Grimme (GD3). For the Xe-F and Xe=O bonds in the isolated XeOF2 molecule, the bonding ELF-localization basins have not been observed. Accord…
A Web Application for Interactive Visualization of European Basketball Data
2020
The statistical analysis of basketball games is a fast-growing field. Certainly, basketball data are scientifically relevant because an appropriate analysis provides a great deal of information about the performance of both players and teams. The number of games played each season generates a large amount of data worth analyzing. Basketball analytics is well established in U.S. leagues. In Europe, however, it has not been duly developed. This study focuses on the top three European team competitions: the EuroLeague, the EuroCup, and the Spanish ACB (Association of Basketball Clubs, acronym in Spanish) league. Their official websites provide access to game data for anyone who is interested, …
A software tool to acquire, synchronise and playback multimedia data: an application in kinesiology
2000
Assessing the physical condition of the human body frequently requires evaluating different tests performed by different devices. This information has to be analysed simultaneously to derive conclusions, and so a temporal relationship must be established between the data sources. In this paper, synchronisation of the sources of information is achieved by synchronising the clocks of computers connected in a Local Area Network. A clock synchronisation protocol is used and a global time is stamped in each information data flow. During analysis, the time-stamp is used to playback the data in a synchronised way. The proposed system is valid for any medical application in which data synchronisati…
Spark ignition feedback control by means of combustion phase indicators on steady and transient operation
2014
In order to reduce fuel cost and CO2 emissions, modern spark ignition (SI) engines need to lower as much as possible fuel consumption. A crucial factor for efficiency improvement is represented by the combustion phase, which in an SI engine is controlled acting on the spark advance. This fundamental engine parameter is currently controlled in an open-loop by means of maps stored in the electronic control unit (ECU) memory: such kind of control, however, does not allow running the engine always at its best performance, since optimal combustion phase depends on many variables, like ambient conditions, fuel quality, engine aging, and wear, etc. A better choice would be represented by a closed-…
Most of the field/inductive substituent effect works through the bonds
2019
AbstractAn application of the quantum chemical modeling allowed to investigate the nature of the field/inductive substituent effect (SE). For this purpose, series of X-tert-butyl···tert-butane (TTX) complexes (where X = NMe2, NH2, OH, OMe, Me, H, F, Cl, CF3, CN, CHO, COMe, CONH2, COOH, NO2, NO) were studied. A starting distance between central carbon atoms in substituted and unsubstituted fragments of TTX, dC1–C4, was the same as the distance C1–C4 in X-substituted bicyclo[2.2.2]octane (BCO), where the SE acts both via bonds and via space. A strength of interaction between substituted and unsubstituted components of TTX was described by deformation and interaction energies. The substituent …
Toxicity of vanadium during development of sea urchin embryos: bioaccumulation, calcium depletion, ERK modulation and cell-selective apoptosis
2022
Vanadium toxicology is a topic of considerable importance as this metal is widely used in industrial and biomedical fields. However, it represents a potential emerging environmental pollutant because wastewater treatment plants do not adequately remove metal compounds that are subsequently released into the environment. Vanadium applications are limited due to its toxicity, so it is urgent to define this aspect. This metal is associated with sea urchin embryo toxicity as it perturbs embryogenesis and skeletogenesis, triggering several stress responses. Here we investigated its bioaccumulation and the correlation with cellular and molecular developmental pathways. We used cytotoxic concentra…
Disaster Prevention Integrated into Commonly Used Web Rendered Systems with GIS Capabilities
2014
The end of the 20th century brought a remarkable increase in the field of positioning techniques and communications, making them visible and available to the public, which led to an unprecedented interconnectivity. At the same time, disasters are part of our life. Regardless of their nature, measures can be taken, in order to prevent and mitigate their effects, by anticipative preparation or by avoiding the calamity area (if possible). To this end, this paper presents an integrated system, composed of a software component, a hardware component, and a decision-making human element, all having the declared role of diminishing or eliminating human and material losses.
The Trust of the Information from Employer Rating Platforms
2017
Employer rating platforms are an important source of information for potential candidates to collect and provide information about the employer. The information is beneficial and different to official company information. The research investigates the reasons to use employer rating platforms by individuals. Trust is important for the exchange of information and use of employer rating platforms. The analysis of empirical data obtained in survey has been done with indicators of central tendency or location. For empirical data analysis it used ANOVA, t-test and Spearman correlation coefficient to investigate the significance of differences in evaluations between demographic groups. The researc…
Knowledge creation. The ongoing search for strategic renewal
2014
Purpose– The purpose of this paper is to analyse how changes in a set of structural design variables (i.e. liaison position, networked design, innovation teams and work teams) affect the creation of new knowledge within organizations. The enablers intention, autonomy, fluctuation and creative chaos, redundancy, variety, and trust and commitment, taken from Nonaka's framework, are used as intermediate variables.Design/methodology/approach– A sample of 167 large Spanish companies was used to empirically test a general relational model.Findings– The analysis yielded two main conclusions. First, the relationship between structural variables and enablers, and, second, the relationship of enabler…
Radiating and non-radiating sources in elasticity
2018
In this work, we study the inverse source problem of a fixed frequency for the Navier's equation. We investigate that nonradiating external forces. If the support of such a force has a convex or non-convex corner or edge on their boundary, the force must be vanishing there. The vanishing property at corners and edges holds also for sufficiently smooth transmission eigenfunctions in elasticity. The idea originates from the enclosure method: The energy identity and new type exponential solutions for the Navier's equation.