Search results for "etica."
showing 10 items of 13546 documents
Vibronic Model for Intercommunication of Localized Spins via Itinerant Electron
2019
In this article, we propose a vibronic pseudo Jahn–Teller model for partially delocalized mixed-valence molecules aimed to describe the magnetic coupling between the localized spins mediated by the delocalized electron. The simplest partially delocalized system that retains the main studied features is assumed to consist of a one-electron mixed-valence dimer, which is connected to the two terminal magnetic ions. The model involves the following key interactions: electron transfer in the spin-delocalized subsystem of a mixed-valence molecule, which is mimicked by a dimeric unit, coupling of the itinerant electrons with the molecular vibrations, and isotropic magnetic exchange between the loc…
Electron Spin Resonance study of charge trapping in α-ZnMoO4 single crystal scintillator
2015
The origin and properties of electron and hole traps simultaneously appearing in a-ZnMoO4 scintillator after X-ray irradiation at low temperatures (T < 35 K) were studied by Electron Spin Resonance (ESR). ESR spectrum of the electron type trap shows pronounced superhyperfine structure due to the interaction of electron spin with nuclear magnetic moments of 95,97Mo and 67Zn lattice nuclei. Considering the nearly tetragonal symmetry of the center this allows us to identify the electron trap as an electron self-trapped at the (Mo(1)O4) 2 complex. Nearly 60% reduction of the spin–orbit coupling at the Mo(1) ion is caused by the overlap of the Mo and ligand oxygen orbitals indicating an essentia…
Loading and release of the complex [Pt(DTBTA)(DMSO)Cl]Cl·CHCl3 with the 2,2′-dithiobis(benzothiazole) ligand into mesoporous silica and studies of an…
2018
Abstract Synthetic delivery systems have great potential for overcoming problems associated with systemic toxicity that accompanies chemotherapy with the use of cisplatin and family of platinum anticancer drugs. Mesoporous silicates have been studied in context of drug delivery and drug targeting. In this paper we report the studies of loading and release of a platinum complex, [Pt(DTBTA)(DMSO)Cl]Cl∙CHCl3 (1) where DTBTA = 2,2′-dithiobis(benzothiazole), that was recently synthesized and structurally characterized. Evaluation in vitro of antitumor activity against a human breast cancer cell line (MCF-7) showed a very potent activity of complex(1). Therefore, we thought to incorporate this co…
NIR-absorbing transition metal complexes with redox-active ligands
2020
Bench top stable transition metal (M = Co, Ni, Cu) complexes with a non-innocent ortho-aminophenol derivative were synthesized by the reaction of metal(II)acetates with a ligand precursor in 2:1 ratio. The solid-state structures reveal the formation of neutral molecular complexes with square planar coordination geometries. The Co(II) and Cu(II) complexes are paramagnetic, whereas the Ni complex is a diamagnetic square planar low-spin Ni(II) complex. All complexes, and Ni(II) complex in particular, show strong absorption in the near-IR region. Peer reviewed
Bit-parallel approximate pattern matching: Kepler GPU versus Xeon Phi
2016
Advanced SIMD features on GPUs and Xeon Phis promote efficient long pattern search.A tiled approach to accelerating the Wu-Manber algorithm on GPUs has been proposed.Both the GPU and Xeon Phi yield two orders-of-magnitude speedup over one CPU core.The GPU-based version with tiling runs up to 2.9 × faster than the Xeon Phi version. Approximate pattern matching (APM) targets to find the occurrences of a pattern inside a subject text allowing a limited number of errors. It has been widely used in many application areas such as bioinformatics and information retrieval. Bit-parallel APM takes advantage of the intrinsic parallelism of bitwise operations inside a machine word. This approach typica…
Usability and acceptability assessment of an empathic virtual agent to prevent major depression
2016
In Human-Computer Interaction, the adaptation of the content and the way of how this content is communicated to the users in interactive sessions is a critical issue to promote the acceptability and usability of any computational system. We present a user-adapted interactive platform to identify and provide an early intervention for symptoms of depression and suicide. In particular, we describe the work performed to assess users' system acceptability and usability. An empathic Virtual Agent is the main interface with the user, and it has been designed to generate the appropriate dialogues and emotions during the interactions according to the detected user's specific needs. This personalizat…
Sewage sludge as cheap alternative to microalgae as feedstock of catalytic hydrothermal liquefaction processes
2019
Abstract Production of biocrude through hydrothermal liquefaction (HTL) of sewage sludge (SS) and Chlorella vulgaris was investigated. NiMo/Al2O3 (KF 851), CoMo/Al2O3 (KF 1022) and activated carbon felt, tested as catalysts at 598 K for 30 min, did not change the biocrude yield but significantly improved its quality. Quantitative sulfur removal and lower oxygen content were found in biocrude when KF 851 and KF 1022 were used with C. vulgaris. The same catalysts decreased O/C and S/C ratio of the biocrude from SS. The highest HHV (38.19 MJ/kg) and H/C ratio (1.65) and the lowest O/C (0.11) of the biocrude from SS were obtained with the cheaper activated carbon felt. A new product phase, prob…
Modelling IR Spectra of Sulfonated Polyether Ether Ketone (SPEEK) Membranes for Fuel Cells
2020
Authors acknowledge support from LSC project No 2014/666 ERDF and students ( ) support from project 2DP/2.1.1.1.0/14/APIA/VIAA/009.
Robust Network Agreement on Logical Information
2011
Abstract Logical consensus is an approach to distributed decision making which is based on the availability of a network of agents with incomplete system knowledge. The method requires the construction of a Boolean map which defines a dynamic system allowing the entire network to consent on a unique, global decision. Previous work by the authors proved the method to be viable for applications such as intrusion detection within a structured environment, when the agent's communication topology is known in advance. The current work aims at providing a fully distributed protocol, requiring no a priori knowledge of each agent's communication neighbors. The protocol allows the construction of a r…
Large multiple neighborhood search for the soft-clustered vehicle-routing problem
2021
Abstract The soft-clustered vehicle-routing problem (SoftCluVRP) is a variant of the classical capacitated vehicle-routing problem. Customers are partitioned into clusters and all customers of the same cluster must be served by the same vehicle. In this paper, we present a large multiple neighborhood search for the SoftCluVRP. We design and analyze multiple cluster destroy and repair operators as well as two post-optimization components, which are both based on variable neighborhood descent. The first allows inter-route exchanges of complete clusters, while the second searches for intra-route improvements by combining classical neighborhoods (2-opt, Or-opt, double-bridge) and the Balas-Simo…