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C-1311 (Symadex), a potential anti-cancer drug, intercalates into DNA between A and G moieties. NMR-derived and MD-refined stereostructure of the d(GAGGCCTC) 2 :C-1311 complex
PublikacjaImidazoacridinone C-1311 (Symadex®) is an antitumor agent which has been recommended for Phase II clinical trials a few years ago. Previously, it was shown experimentally that during the initial stage of its action C-1311 forms stable intercalation complexes with DNA duplexes. Herein, a NMR-derived stereostructure of d(GAGGCCTC)2:C-1311 complex was reported. The ligand was found locating itself between A and G moieties, forming...
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Effect of osmolytes of different type on DNA behavior in aqueous solution. Experimental and theoretical studies
PublikacjaOsmolytes, the small organic molecules accumulated in cells under environmental stress, can modulate the stability of biopolymers such as proteins and DNA. In spite of many years of research, there is no established molecular mechanism of the influence of osmolytes on DNA structure. Here, we used two model osmolytes that denature (urea) or stabilize (trimethylglycine, TMG) proteins to study their effect on DNA in aqueous solutions...
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Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties
PublikacjaUsing 1H-imidazole-4-carboxylic acid (4imCOOH) and 1H-pyrazole-3-carboxylic acid (3pyrCOOH) coordination polymers [Pb(4imCOO)2(H2O)]n (1) and [Pb2(3pyrCOO)4]n (2) were constructed. Obtained polymers were characterized via FT-IR, X-ray, PL and TG methods. The coordination polyhedron around Pb(II) in 1 is described as distorted pentagonal pyramid with hemidirected coordination sphere (based on DFT calculations). Compound 2 consists...
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Obtaining and Characterization of the PLA/Chitosan Foams with Antimicrobial Properties Achieved by the Emulsification Combined with the Dissolution of Chitosan by CO2 Saturation
PublikacjaA new method of obtaining functional foam material has been proposed. The materials were created by mixing the poly lactic acid (PLA) solution in chloroform, chitosan (CS) dissolved in water saturated with CO2 and polyethylene glycol (PEG), and freeze-dried for removal of the solvents. The composite foams were characterized for their structural (SEM, FT-IR, density, porosity), thermal (DSC), functional (hardness, elasticity, swelling...
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Diamine derivatives of dimerized fatty acids and bio-based polyether polyol as sustainable platforms for the synthesis of non-isocyanate polyurethanes
PublikacjaA series of environmentally friendly non-isocyanate polyurethanes (NIPUs) were successfully prepared via the polyaddition reaction of bio-based polyether polyol-based cyclic carbonate with diamine derivative of dimerized fatty acids. The syntheses of NIPUs were realized by the three-step method in the absence of toxic solvents and, importantly, the process of carbonation did not require the use of elevated pressure. The effect...
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Efficiency of gas detection algorithms using fluctuation enhanced sensing
PublikacjaEfficiency of various gas detection algorithms by applying fluctuation enhanced sensing method was discussed. We have analyzed resistance noise observed in resistive WO3- nanowires gas sensing layers. Power spectral densities of the recorded noise were used as the input data vectors for two algorithms: the principal component analysis (PCA) and the support vector machine (SVM). The data were used to determine gas concentration...
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Design and optimization of a novel compact broadband linearly/circularly polarized wide-slot antenna for WLAN and Wi-MAX applications
PublikacjaA novel topologically modified structure of a compact low profile wide-slot antenna for broadband applications is presented. The antenna comprises a modified E-shaped slot with unequal arm lengths in the ground plane, and a parasitic quasi-rectangular loop placed coplanar with the feedline. For exciting orthogonal modes with equal amplitude, a single-point feeding technique with an asymmetrical geometry of the coplanar waveguide...
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Structural optimization of microjet array cooling system
PublikacjaThe single phase heat transfer from an upward facing, horizontal copper surface to arrays of impinging water jets was experimentally investigated. Experimental configuration allows for a free-surface unconfined jets flow. Square nozzles 50 × 100 μm arranged in four different geometries were used. Additionally, for the set of two jets array geometry was varied by adjusting the nozzle to nozzle distance. The area averaged heat transfer...
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Excited states of isoxazole molecules studied by electron energy-loss spectroscopy
PublikacjaElectron energy-loss spectra were measured in isoxazole in the excitation energy range 3.5−10 eV to investigate the valence excited states. Spectra recorded at different scattering conditions enabled the identification of the singlet and triplet states and the determination of their vertical excitation energies. The two lowest energy triplet bands, ππ* 13A' and ππ* 23A' at 4.20 and 5.30 eV, respectively show vibrational progressions....
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Outlier detection method by using deep neural networks
PublikacjaDetecting outliers in the data set is quite important for building effective predictive models. Consistent prediction can not be made through models created with data sets containing outliers, or robust models can not be created. In such cases, it may be possible to exclude observations that are determined to be outlier from the data set, or to assign less weight to these points of observation than to other points of observation....
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Collision-induced luminescence spectra of pyridine bombarded by 1000 eV He+ cations
PublikacjaHere we show collision-induced luminescence spectra measured for collisions of the He+cations with thearomatic six-membered ring of the pyridine molecule (C5H5N). Distinct emission bands due to the CH(A2Δ→X2Πr;B2Σ+→X2Πr;C2Σ+→X2Πr), CN(B2Σ+→X2Σ+), C2(d3Πg→a3Πu), and NH(A3Π→X3Σ−) transitions, aswell as atomic H, He, and C lines have been observed. Apart from the He atoms, all the emitters arise from thefragmentation of the pyridine...
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STUDY OF CuO AND V2O5 EFFECT ON IR SPECTRA OF POLYCRYSTALLINE BISMUTH NIOBATE
PublikacjaBismuth niobate (BiNbO4) ceramics were fabricated by mixed oxide method and sintered by presureless sintering method. BiNbO4 ceramics doped with V2O5 additive in amount 0.125 wt%, 0.250 wt% and 1 wt% of was sintered at T = 910°C whereas BiNbO4 ceramics doped with 2 wt% of CuO additive was sintered at T = 890°C and T = 910°C. It was found that V2O5 additive improved morphology of the ceramic samples. However, the chemical composition...
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Production of singlet oxygen atoms by photodissociation of oxywater
PublikacjaQuantum chemical calculations are reported for the energies of the few lowest electronic singlet states of oxywater along dissociation of the oxygen-oxygen bond into water and singlet oxygen using multistate multireference second-order Møller–Plesset perturbation theory. We compute an energy of 21 kcal/mol to remove one oxygen atom in the lowest singlet state. The two lowest excited singlet states have vertical excitation energies...
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Formation of Porous Structure of the Metallic Materials Used on Bone Implants
PublikacjaResearch on improvement of structure and fabrication methods of the bone implants are carried out for many years. Research are aimed to shape the structures, that will have a Young's modulus value similar to the value of the human bones Young's modulus. Depending on theporosity, Young's moduli can even be tailored to match the modulus of bone closer than solid metals can, thus reducing the problems associated with stress shielding...
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Mechanism of Binding of Antifungal Antibiotic Amphotericin B to Lipid Membranes: An Insight from Combined Single-Membrane Imaging, Microspectroscopy, and Molecular Dynamics
PublikacjaAmphotericin B is a lifesaving polyene antibiotic used in the treatment of systemic mycoses. Unfortunately, the pharmacological applicability of this drug is limited because of its severe toxic side effects. At the same time, the lack of a well-defined mechanism of selectivity hampers the efforts to rationally design safer derivatives. As the drug primarily targets the biomembranes of both fungi and humans, new insights into the...
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Multiplicative Long Short-Term Memory with Improved Mayfly Optimization for LULC Classification
PublikacjaLand Use and Land Cover (LULC) monitoring is crucial for global transformation, sustainable land control, urban planning, urban growth prediction, and the establishment of climate regulations for long-term development. Remote sensing images have become increasingly important in many environmental planning and land use surveys in recent times. LULC is evaluated in this research using the Sat 4, Sat 6, and Eurosat datasets. Various...
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A Canonical Switched Capacitor DC-DC Converter. A look at how the historical SC synthesis problem is getting solved
PublikacjaWe reconsider a solution to the historical problem in switched capacitor (SC) DC-DC converter synthesis. Specifically, we retackle the problem of constructing an SC twophase network realizing arbitrary voltage conversion ratio within rational bounds defined. Theoretical foundations are available in our earlier research [3] where a nonconstructive proof of existence was given. We briefly review and comment on known circuit solutions...
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Luminescence properties of Eu3+ and Tb3+ doped silica-based xerogels
PublikacjaPure SiO2 xerogels and SiO2 xerogels containing SrF2: Eu3+/: Tb3+ crystals were prepared using sol-gel method. Luminescent spectra showed excitation and emission peaks characteristic to Eu3+ and Tb3+ 4f - 4f transitions. ET Tb3+→Eu3+ has been observed. XRD pattern of SiO2 matrix confirmed lack of long range order. Patterns of SiO2-SrF2:Eu3+ and SiO2-SrF2:Tb3+ showed peaks corresponding to SrF2. SEM images have shown agglomerates...
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Product Graph Invariants with Applications in the Theory of Information
PublikacjaThere are a large number of graph invariants. In the paper, we consider some of them, e.g. the independence and chromatic numbers. It is well know that we cannot efficiently calculate these numbers for arbitrary graphs. In the paper we present relations between these invariants and concepts from the theory of information. Concepts such as source coding and transmission over a noisy channel with zero probability of error are modeled...
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The Potential of Greed for Independence
PublikacjaThe well-known lower bound on the independence number of a graph due to Caro and Wei can be established as a performance guarantee of two natural and simple greedy algorithms or of a simple randomized algorithm. We study possible generalizations and improvements of these approaches using vertex weights and discuss conditions on so-called potential functions p(G) : V(G) -> N_0 defined on the vertex set of a graph G for which suitably...
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A more colorful hat problem
PublikacjaThe topic is the hat problem in which each of n players is randomly fitted with a blue or red hat. Then everybody can try to guess simultaneously his own hat color by looking at the hat colors of the other players. The team wins if at least one player guesses his hat color correctly, and no one guesses his hat color wrong; otherwise the team loses. The aim is to maximize the probability of winning. We consider a generalized hat...
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Sewage gardens - constructed wetlands for single family households
PublikacjaDuring the last 30 years the increase of interest in low-cost decentralized and small wastewater treatment plants (WWTP) is observed in Europe. For this purpose sand filters, stabilization ponds, mini reactors with activated sludge, trickling filters and treatment wetlands are used. Among the listed facilities treatment wetlands (TWs) offer effective and reliable treatment efficiency, being at the same time low-cost and simple...
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On the partition dimension of trees
PublikacjaGiven an ordered partition Π={P1,P2,…,Pt} of the vertex set V of a connected graph G=(V,E), the partition representation of a vertex v∈V with respect to the partition Π is the vector r(v|Π)=(d(v,P1),d(v,P2),…,d(v,Pt)), where d(v,Pi) represents the distance between the vertex vv and the set Pi. A partition Π of V is a resolving partition of G if different vertices of G have different partition representations, i.e., for every...
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Operational algae bloom detection in the Baltic Sea using GIS and AVHRR data
PublikacjaDuring the blooming season, algal colonies can, in extreme cases, cover up to 200 000 square kilometres of the Baltic Sea water surface. Because the position and shape of the blooms may significantly change in very short time due to the influence of wind and waves, regular monitoring of the blooms' development is necessary. Currently, the desired monitoring frequency may only be achieved by means of remote sensing. The article...
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Luminescent properties of Ln3+ doped tellurite glasses containing AlF3
PublikacjaThe low-phonon energy tellurite glasses TeO2-BaO-Bi2O3 and TeO2-BaO-Bi2O3-AlF3 triply doped with Eu3+, Tb3+, Tm3+ ions in two different molar ratios were synthesized using melt-quenching technique. Their structure and luminescence properties were widely investigated by X-ray Diffraction (XRD), Differential Scanning Calorimetry (DSC), Fourier Transform Infrared Spectroscopy (FTIR) and Photoluminescence Spectroscopy (PL). The luminescence...
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Novel inorganic xerogels doped with CaWO 4 :xDy: Synthesis, characterization and luminescence properties
PublikacjaA series of novel phosphors based on silica xerogel doped with CaWO4:xDy(III) with various concentration of dysprosium ion was synthesized over a temperature of 800 C. The thermal analysis, XRD measurement and spectroscopic investigations of these materials are presented in this study. Steady state luminescence, luminescence excitation spectra as well as emission spectra have been measured. Under the ultraviolet light, the prepared...
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Contamination of water in Oliwski Stream after the flood in 2016
PublikacjaIn the article pollution of stream waters with surface runoff from an urbanized area caused by an extremely high rainfall is discussed. The analyzes were carried out after the rainfall of the depth 152 mm which took place in Gdańsk on 14th and 15th July 2016. This extreme rainfall caused urban flooding, damage of several retention ponds and pollution of surface waters. In the article the results of physical and chemical analyzes...
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Energy efficient beam control for 5G antennas
PublikacjaThe rapid development of 5G and beyond systems demands improvement in communication speed, latency and safety to maintain the required quality of service. This paper presents an overview of different concepts of energy-efficient antenna systems, which offer beam-shaping and beam-steering functionalities, that enhance connectivity performance and can be used in 5G applications. Different designs for 5.9 GHz, 39 GHz and 60 GHz frequency...
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A Simple Replica Method as the Way to Obtain a Morphologically and Mechanically Bone-like Iron-Based Biodegradable Material
PublikacjaPorous iron-based scaffolds were prepared by the simple replica method using polyurethane foam as a template and applying the sintering process in a tube furnace. Their surface morphology was characterized using scanning electron microscopy (SEM) and phase homogeneity was confirmed using X-ray diffraction (XRD). Corrosion behavior was determined using immersion and potentiodynamic polarization methods in phosphate buffered saline...
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On the super domination number of lexicographic product graphs
PublikacjaThe neighbourhood of a vertexvof a graphGis the setN(v) of all verticesadjacent tovinG. ForD⊆V(G) we defineD=V(G)\D. A setD⊆V(G) is called a super dominating set if for every vertexu∈D, there existsv∈Dsuch thatN(v)∩D={u}. The super domination number ofGis theminimum cardinality among all super dominating sets inG. In this article weobtain closed formulas and tight bounds for the super dominating number oflexicographic product...
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Reactions of Lithium Salts of Triphosphanes tBu2P-PLi-PtBu2 and tBu2P-PLi-P(NEt2)2 with Metal Complexes [(R3P)2MCl2] (M = Ni, Pd, Pt, R3P = Et3P, pTol3P, Ph2EtP, iPr3P)
PublikacjatBu2P-PLi-PtBu2·2THF reacts with [(R3P)2MCl2] (M = Pt, Pd, Ni; R3P = Et3P, pTol3P, Ph2EtP, iPr3P) to yield isomers of [(1,2-η-tBu2P=P-PtBu2)M(PR3)Cl], in which the tBu2P-P-PtBu2 ligand adopts the arrangement of a side-on bonded 1,1-di-tert-butyl-2-(di-tert-butylphosphanyl)diphosphenium cation. tBu2P-PLi-P(NEt2)2·2THF reacts with [(R3P)2MCl2] but does not form complexes with a tBu2P-P-P(NEt2)2 moiety, however, splitting...
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Revealing the Frank–Evans “Iceberg” Structures within the Solvation Layer around Hydrophobic Solutes
PublikacjaUsing computer simulations, the structural properties of solvation water of three model hydrophobic molecules, methane and two fullerenes (C60 and C80), were studied. Systems were simulated at temperatures in the range of 250−298 K. By analyzing both the local ordering of the molecules of water in the solvation layers and the structure of hydrogen bond network, it is shown that in the solvation layer of hydrophobic molecules, ordered...
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Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
PublikacjaThe ability to form strong intermolecular interactions by linear glucosamine polysaccharides with collagen is strictly related to their nonlinear dynamic behavior and hence bio-lubricating features. Type III collagen plays a crucial role in tissue regeneration, and its presence in the articular cartilage affects its bio-technical features. In this study, the molecular dynamics methodology was applied to evaluate the effect of...
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3,3'-Dibenzoyl-1,1'-dibenzyl-1,1'-(ethane-1,2-diyl)dithiourea
PublikacjaIn the title compound, C32H30N4O2S2, the carbonyl and thiocarbonyl groups are found in a rare synclinal conformation, with an S-C···C-O pseudo-torsion angle of 62.6(2)°. The molecule has Ci = S2 point-group symmetry with a crystallographic center of inversion located in the middle of the ethylene bridge. One of the symmetry-independent phenyl...
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Mechanism of antifreeze protein functioning and the “anchored clathrate water” concept
PublikacjaIn liquid water, there is a natural tendency to form aggregates that consist of water molecules linked by hydrogen bonds. Such spontaneously formed aggregates are surrounded by a "sea" of disordered water molecules, with both forms remaining in equilibrium. The process of creating water aggregates also takes place in the solvation water of proteins, but in this case the interactions of water molecules with the protein surface shift...
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Antibiotic-sterol interactions provide insight into the selectivity of natural aromatic analogues of amphotericin B and their photoisomers
PublikacjaAromatic heptaene macrolides (AHMs) belong to the group of polyene macrolide antifungal antibiotics. Members of this group were the first to be used in the treatment of systemic fungal infections. Amphotericin B (AmB), a non-aromatic representative of heptaene macrolides, is of significant clinical importance in the treatment of internal mycoses. It includes the all-trans heptaene chromophore, whereas the native AHMs contain two...
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Fatty acyl benzamido antibacterials based on inhibition of DnaK-catalyzed protein folding
PublikacjaWe have reported that the hsp70 chaperone DnaK from Escherichia coli might assist protein folding by catalyzing the cis/trans isomerization of secondary amide peptide bonds in unfolded or partially folded proteins. In this study a series of fatty acylated benzamido inhibitors of the cis/trans isomerase activity of DnaK was developed and tested for antibacterial effects in E. coli MC4100 cells. Nα-[Tetradecanoyl-(4-aminomethylbenzoyl)]-l-asparagine...
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5-Selenocyanato and 5-trifluoromethanesulfonyl derivatives of 2′-deoxyuridine: synthesis, radiation and computational chemistry as well as cytotoxicity
Publikacja5-Selenocyanato-2′-deoxyuridine (SeCNdU) and 5-trifluoromethanesulfonyl-2′-deoxyuridine (OTfdU) have been synthesized and their structures have been confirmed with NMR and MS methods. Both compounds undergo dissociative electron attachment (DEA) when irradiated with X-rays in an aqueous solution containing a hydroxyl radical scavenger. The DEA yield of SeCNdU significantly exceeds that of 5-bromo-2′-deoxyuridine (BrdU), remaining...
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The searchlight problem for road networks
PublikacjaWe consider the problem of searching for a mobile intruder hiding in a road network given as the union of two or more lines, or two or more line segments, in the plane. Some of the intersections of the road network are occupied by stationary guards equipped with a number of searchlights, each of which can emit a single ray of light in any direction along the lines (or line segments) it is on. The goal is to detect the intruder,...
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Reaction of aniline with ammonium persulphate and concentrated hydrochloric acid: Experimental and DFT studies
PublikacjaIn this paper, the reaction of aniline with ammonium persulphate and concentrated HCl was studied. As a result of our experimental studies, 2,4,6-trichlorophenylamine was identified as the main product. This shows that a high concentration of HCl does not favour oxidative polymerisation of phenylamine, even though the ammonium persulphate/HCl system is widely used in polyaniline synthesis. On the basis of the experimental data...
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Impact of interface heterogeneity on joint fracture
PublikacjaThe effects of heterogeneities (weak zones in particular) inadhesive joints and their importance on overall fracture propertiesare relatively unknown, but doubtlessly they may be crucial inmany applications. Using a model heterogeneous adhesive bond,represented by a given mixture of regions of strong and weakadhesion, we have studied the influence of interface variabilityon overall fracture energy (global energy release rate)....
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Bioactive quaternary ammonium ionic liquids.
PublikacjaAn ionic liquid (IL) is an organic compound that contains at least one ionic bond. It consists of an organic cation and an organic or inorganic anion. It is an organic salt having a melting point below 100C. A very interesting group of IL are those with a long chain quaternary ammonium cation. They are formed by direct synthesis or by an anion-exchange reaction in quaternary ammonium halides. Popular and cheap precursors for the...
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Phosphinoborenium cations stabilized by N-heterocyclic carbenes: synthesis, structure, and reactivity
PublikacjaPhosphinoborenium cations stabilized by N-heterocyclic carbenes (NHCs) were synthesized via the reaction of bromo(phosphino)boranes with NHCs. Their structures were investigated by heteronuclear magnetic resonance spectroscopy, X-ray diffraction, and density functional theory calculations. They possess a planar trigonal boron center directly bonded with the pyramidal phosphanyl group (PR2) and can be treated as cationic phosphinoboranes....
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Crystal structure and electronic structure of CePt2In7
PublikacjaWe report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt–In stacking along the c-direction in this layered material than was previously reported. In addition, all of the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of...
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Elemental and tight monogamy relations in nonsignaling theories
PublikacjaPhysical principles constrain the way nonlocal correlations can be distributed among distant parties. These constraints are usually expressed by monogamy relations that bound the amount of Bell inequality violation observed among a set of parties by the violation observed by a different set of parties. We prove here that much stronger monogamy relations are possible for nonsignaling correlations by showing how nonlocal correlations...
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Removal and speciation of heavy metals in the constructed wetland treating landfill leachate
PublikacjaThe results of heavy metals removal and speciation of metals at two treatment wetlands receiving landfill are discussed. The first TW is a surface flow facility consisting of 10 ponds. The next TW is a newly constructed pilot-scale facility consisting of three beds with alternately vertical and horizontal sub-surface flow. The metals concentrations were analysed in leachate(both TWs) and bottom sediments (surface flow TW). Seasonal...
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Determination of chemical oxygen demand (cod) at boron-doped diamond (bdd) sensor by means of amperometric technique
PublikacjaA boron-doped diamond (BDD) sensor was proposed for effective detection of chemical oxygen demand (COD) by means of amperometric technique. Thin boron doped diamond active sensor layer was deposited on Si wafer and glassy carbon substrate by Microwave Plasma Enhanced Chemical Vapor Deposition (MW PE CVD). The structure of BDD was confirmed by Raman spectra analysis. Broad Raman bands centered at 482 cm-1 and 1219 cm-1 are typical...
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Loudness Scaling Test Based on Categorical Perception
PublikacjaThe main goal of this research study is focused on creating a method for loudness scaling based on categorical perception. Its main features, such as: way of testing, calibration procedure for securing reliable results, employing natural test stimuli, etc., are described in the paper and assessed against a procedure that uses 1/2-octave bands of noise (LGOB) for the loudness growth estimation. The Mann-Whitney U-test is employed...
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Electrochemical and photoelectrochemical characterization of photoanodes based on titania nanotubes modified by a BiVO4 thin film and gold nanoparticles
PublikacjaTitania nanotubes (TNT) modified with thin films of bismuth vanadate (BiVO4) and gold nanoparticles (GNP) were photoelectrochemically characterized as photoanodes for water photooxidation. Presence of bismuth vanadate enhanced efficiency of photocurrent generation in comparison with pristine TNTs under visible light illumination. Besides an extended range of absorbed light, the presence of both BiVO4 and GNP reduced the charge...
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Collision-free network exploration
PublikacjaMobile agents start at different nodes of an n-node network. The agents synchronously move along the network edges in a collision-free way, i.e., in no round two agents may occupy the same node. An agent has no knowledge of the number and initial positions of other agents. We are looking for the shortest time required to reach a configuration in which each agent has visited all nodes and returned to its starting location. In...