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Double bondage in graphs
PublicationA vertex of a graph is said to dominate itself and all of its neighbors. A double dominating set of a graph G=(V,E) is a set D of vertices of G such that every vertex of G is dominated by at least two vertices of D. The double domination number of a graph G, denoted by gamma_d(G), is the minimum cardinality of a double dominating set of G. The double bondage number of G, denoted by b_d(G), is the minimum cardinality among all sets...
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Non-isolating bondage in graphs
PublicationA dominating set of a graph $G = (V,E)$ is a set $D$ of vertices of $G$ such that every vertex of $V(G) \setminus D$ has a neighbor in $D$. The domination number of a graph $G$, denoted by $\gamma(G)$, is the minimum cardinality of a dominating set of $G$. The non-isolating bondage number of $G$, denoted by $b'(G)$, is the minimum cardinality among all sets of edges $E' \subseteq E$ such that $\delta(G-E') \ge 1$ and $\gamma(G-E')...
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Non-isolating 2-bondage in graphs
PublicationA 2-dominating set of a graph G=(V,E) is a set D of vertices of G such that every vertex of V(G)D has at least two neighbors in D. The 2-domination number of a graph G, denoted by gamma_2(G), is the minimum cardinality of a 2-dominating set of G. The non-isolating 2-bondage number of G, denoted by b_2'(G), is the minimum cardinality among all sets of edges E' subseteq E such that delta(G-E') >= 1 and gamma_2(G-E') > gamma_2(G)....
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Choosing the Right Cybersecurity Solution: A Review of Selection and Evaluation Criteria
PublicationInformation technologies evolve continuously reaching pioneering areas that bring in new cybersecurity challenges. Security engineering needs to keep pace with the advancing cyberthreats by providing innovative solutions. At the same time, the foundations that include security and risk assessment methodologies should remain stable. Experts are offered with an extensive portfolio of solutions and an informed choice of a particular...
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2-bondage in graphs
PublicationA 2-dominating set of a graph G=(V,E) is a set D of vertices of G such that every vertex of V(G)D has at least two neighbors in D. The 2-domination number of a graph G, denoted by gamma_2(G), is the minimum cardinality of a 2-dominating set of G. The 2-bondage number of G, denoted by b_2(G), is the minimum cardinality among all sets of edges E' subseteq E such that gamma_2(G-E') > gamma_2(G). If for every E' subseteq E we have...
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Experimentally Aided Operational Virtual Prototyping to Predict Best Clamping Conditions for Face Milling of Large-Size Structures
PublicationVibrations occurring during milling operations are one of the main issues disturbing the pursuit of better efficiency of milling operations and product quality. Even in the case of a stable cutting process, vibration reduction is still an important goal. One of the possible solutions to obtain it is selection of the favorable conditions for clamping the workpiece to the machine table. In this paper, a method for predicting and...
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Investigation into MPI All-Reduce Performance in a Distributed Cluster with Consideration of Imbalanced Process Arrival Patterns
PublicationThe paper presents an evaluation of all-reduce collective MPI algorithms for an environment based on a geographically-distributed compute cluster. The testbed was split into two sites: CI TASK in Gdansk University of Technology and ICM in University of Warsaw, located about 300 km from each other, both connected by a fast optical fiber Ethernet-based 100 Gbps network (900 km part of the PIONIER backbone). Each site hosted a set...
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The Ellenbogen’s “Matter as Software” Concept for Quantum Computer Implementation: IV. The X@C60 Molecular Building Blocks (MBBs) and Computing System Lifetime Estimation
PublicationThe problem of approximate lifetimes of individual X@C60 MBBs and tip-based nanofabricated quantum computing device systems is discussed under the conservative assumption of single-point failure. A single chemical transformation of the C60 cage into high-energy opened o-C60 isomer which forms the communication canal for the low energy transfer of an X atom from X@C60 MBB to the outside environment was studied. According to the...
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Hyperelastic Microcantilever AFM: Efficient Detection Mechanism Based on Principal Parametric Resonance
PublicationThe impetus of writing this paper is to propose an efficient detection mechanism to scan the surface profile of a micro-sample using cantilever-based atomic force microscopy (AFM), operating in non-contact mode. In order to implement this scheme, the principal parametric resonance characteristics of the resonator are employed, benefiting from the bifurcation-based sensing mechanism. It is assumed that the microcantilever is made...
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Configurations of H 3 + (H2)n clusters and their energies
PublicationThe H-3(+) ion plays an important role in low temperature astrophysical and laboratory plasmas. It is considered as the initiator of many ion-molecule chemistries. Also its clusters with H-2 are quite interesting. We study configurations of the H-3(+)(H-2)(n) clusters for n = 1 up to n = 12 as a simple test system. Total energies for these structures, with zero point vibration corrections have been calculated. Stabilization energies...
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Thermal visualization of Ostwald-de Waele liquid in wavy trapezoidal cavity: Effect of undulation and amplitude
PublicationThe present study is concerned with the numerical simulations of Ostwald-de Waele fluid flow in a wavy trapezoidal cavity in the presence of a heated cylinder situated at the center of the cavity. The work consists in characterizing the mixed convection as a function of the intensity of heat flow. The flow behaviour and temperature distribution in a cavity are the main focus of this study. The lower wall of the cavity is fixed...
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Application of an Electronic Nose Instrument to Fast Classification of Polish Honey Types
PublicationThe paper presents practical utilization of an electronic nose prototype, based on the FIGARO semiconductor sensors, in fast classification of Polish honey types—acacia flower, linden flower, rape, buckwheat and honeydew ones. A set of thermostating modules of the prototype provided gradient temperature characteristics of barbotage-prepared gas mixtures and stable measurement conditions. Three chemometric data analysis methods...
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DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublicationIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
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Multi Parameter Sliding Test Result Evaluation for The Selection of Material Pair for Wear Resistant Components of a Hydraulic motor Dedicated for Use With Environmentally Friendly Working Fluids
PublicationIn the paper the method and results are presented of the testing of tribological performance of a number of hard materials available commercially. The tests consisted in unidirectional sliding with liquid lubrication. The load and velocity regime chosen were similar to a standard four-ball lubricity test with constant velocity and load increasing over time. The regime was modified in such a way that over the initial part of the...
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Intercalation complex of imidazoacridinone C-1311, a potential anticancer drug, with DNA helix d(CGATCG)2: stereostructural studies by 2D NMR spectroscopy.
PublicationImidazoacridinone C-1311 (Symadex®) is a powerful antitumor agent, which successfully made its way through the Phase I clinical trials and has been recommended for Phase II few a years ago. It has been shown experimentally that during the initial stage of its action C-1311 forms a relatively stable intercalation complex with DNA, yet it has shown no base-sequence specificity while binding to DNA. In this paper, the d(CGATCG)2:C-1311...
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Robust asymptotic super twisting sliding mode observer for non-linear uncertain biochemical systems
PublicationThe problem of state estimation (reconstruction of the state vector) for a given class of biochemical systems under uncertain system dynamics has been addressed in this paper. In detail, the bioreactor at a water resource recovery facility represents the considered biochemical systems. The biochemical processes taking place in the bioreactor have been modelled using an activated sludge model. Based on this model, an appropriate...
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A New Adaptive Method for the Extraction of Steel Design Structures from an Integrated Point Cloud
PublicationThe continuous and intensive development of measurement technologies for reality modelling with appropriate data processing algorithms is currently being observed. The most popular methods include remote sensing techniques based on reflected-light digital cameras, and on active methods in which the device emits a beam. This research paper presents the process of data integration from terrestrial laser scanning (TLS) and image data...
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Emission profile of butan-2-one oxime from commercially available neutral silicone sealant
PublicationThe paper presents results of research on emission profile of butan-2-one oxime (methyl ethyl ketoxime, MEKO) released from two types of commercially available neutral silicone sealants: silicone type ‘S’ and silicone type ‘T’. To determine the emissions from silicone samples, the system consists of a stationary emission chamber, and the thermal desorption-gas chromatography-mass spectrometry system was applied. First, the research...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublicationThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublicationOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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On relations between gradient and classical equivariant homotopy groups of spheres
PublicationWe investigate relations between stable equivariant homotopy groups of spheres in classical and gradient categories. To this end, the auxiliary category of orthogonal equivariant maps, a natural enlargement of the category of gradient maps, is used. Our result allows for describing stable equivariant homotopy groups of spheres in the category of orthogonal maps in terms of classical stable equivariant groups of spheres with shifted...
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Novel DNA-binding protein from Nanoarchaeum equitans Kin4-M binds all kinds of nucleic acids
PublicationNanoarchaeum equitans is the only known representative of Archaea phylum Nanoarchaeota and stands out as one of the tiniest known living organism. What is more it has smallest genome, which is only 490.885 base pairs long. It is also one of the most compact genomes. According to predictions about 95% of the DNA encodes proteins or stable RNA. Nanoarchaeum equitans lacks genes for most vital metabolic pathways including lipid, cofactor,...
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Stability and phase transition investigation of olanzapine polymorphs
PublicationWe use electrical embedded-fragment QM method with both DFT/ωB97XD/6-31G* and MP2/6-31G* to investigate the phase transformations of olanzapine. Gibbs free energy calculations predict that form I is always the most stable structure and form II is the least stable one, while form IV is more stable than form III below about 200 K but less stable above this temperature, implying a polymorphic phase transformation. This may account...
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Electrochemical simulation of enzymatic transformations studied for the selected antitumor acridine derivatives
PublicationThe elucidation of the metabolic pathways and the biotransformation mechanisms of potential drugs is a crucial point in drug development. It allows to know the activation routes of the new biologically active compounds, especially in respect to their possible toxicity. Generally, in vivo or in vitro experiments with liver microsomes or hepatocytes are performed. However, these testing schemes are tedious, time consuming and of...
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Denitrification Process Enhancement and Diversity of the Denitrifying Community in the Full Scale Activated Sludge System after Adaptation to Fusel Oil
PublicationImplementation of anaerobic digestion of primary sludge in modern wastewater treatment plants (WWTPs) limits the availability of organic carbon for denitrification in conventional nitrification-denitrification (N/DN) systems. In order to ensure efficient denitrification, dosage of the external carbon source is commonly undertaken. However, application of commercial products, such us ethanol or acetate, greatly increases operational...
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Topological invariants for equivariant flows: Conley index and degree
PublicationAbout forty years have passed since Charles Conley defined the homotopy index. Thereby, he generalized the ideas that go back to the calculus of variations work of Marston Morse. Within this long time the Conley index has proved to be a valuable tool in nonlinear analysis and dynamical systems. A significant development of applied methods has been observed. Later, the index theory has evolved to cover such areas as discrete dynamical...
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PRZEBIEG TEMPERATURY ZIM NA OBSZARZE POLSKI W LATACH 1720–2015
PublicationThe work discusses the air temperature course of winter periods (December–March) in Poland in the years 1720–2015. The analysis is carried out for area mean values calculated from 5 stations: Szczecin, Wrocław, Warsaw, Wilno and Lwów. The time series of the mean area winter temperature (hereinafter PLZ) consists of combined observational (140 years) and reconstructed (156 years) data. PLZ reconstruction is based on independent...
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The Use of Free Adjustment and Msplit-Estimation for Determination of the Vertical Displacements in Unstable Reference System
PublicationThe problem of the determining of the displacements of engineering objects and their surroundings is the current and important issue in the field of engineering geodesy. Most control measurements are made in relation to reference points (stable points). On the other hand, sometimes it happens that it is not possible perform the measurements with reference to the stable points or identification of stable points is difficult. Therefore,...
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Weak Stability of Centred Quadratic Stochastic Operators
PublicationWe consider the weak convergence of iterates of so-called centred quadratic stochastic operators. These iterations allow us to study the discrete time evolution of probability distributions of vector-valued traits in populations of inbreeding or hermaphroditic species, whenever the offspring’s trait is equal to an additively perturbed arithmetic mean of the parents’ traits. It is shown that for the existence of a weak limit, it...
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Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
PublicationEdaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the three different designed solvents compositions. The slurry method was used for spectroscopic solubility determination in temperatures...
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Influence of hydrogen on a nanocrystalline high-entropy oxide with application potential in hydrogen technologies
PublicationThe influence of hydrogen on a (Co0⋅2Cu0⋅2Mg0⋅2Ni0⋅2Zn0.2)O HEO with a rock salt structure was studied. Two forms of this HEO (nanopowder and sinter) were prepared via mechanochemical synthesis (MS) and additional heat treatment, respectively. The chemical stability of the synthesized samples in a pure hydrogen atmosphere was investigated using Sievert’s technique. High-pressure hydrogenation at 250 ◦C had no noticeable effect...
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Efficient Selenenylation of Malonates Using Bis(phosphorothioyl) Diselenide
PublicationBis(O,O-diisopropoxyphosphinothioyl) diselenide reacts readily and quickly with the sodium salt of malonates to give quantitatively stable sodium 2-(O,O-diisopropyl phosphorothioselenenyl)propanedioates. No traces of the corresponding C,C-diselenenylation products were detected. A standard aqueous workup procedure affords the products, albeit in poor yield (about 45%). It was proved that the reaction is reversible due to the presence...
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Extraction of stable foreground image regions for unattended luggage detection
PublicationA novel approach to detection of stationary objects in the video stream is presented. Stationary objects are these separated from the static background, but remaining motionless for a prolonged time. Extraction of stationary objects from images is useful in automatic detection of unattended luggage. The proposed algorithm is based on detection of image regions containing foreground image pixels having stable values in time and...
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Reactivity of bulky aminophosphanes towards small molecules: Activation of dihydrogen and carbon dioxide by aminophosphane/borane frustrated Lewis pairs
PublicationA series of mono- and bisaminophosphanes with formulas R2NPR’R’’ and (R2N)2PR’ (R = iPr, Cy; R’ = Ph, Cy; R’’ = iPr) were characterized by X-ray analysis, NMR spectroscopy and computational methods. The common structural futures of these species are short and polarized PAN bonds, a pyramidal geometry at the P atom and an almost planar geometry at the N atoms. According to DFT calculations, these...
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Design of dimensionally stable composites using efficient global optimization method
PublicationDimensionally stable material design is an important issue for space structures such as space laser communication systems, telescopes, and satellites. Suitably designed composite materials for this purpose can meet the functional and structural requirements. In this paper, it is aimed to design the dimensionally stable laminated composites by using efficient global optimization method. For this purpose, the composite plate optimization...
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Improving the accuracy of subgridding scheme in finite differences method based on Legendre polynomials expansion
PublicationIn this article the Legendre polynomials have been used to interpolate the field at the boundary of the meshes of different densities. The numerical verification of the proposed technique has been carried out in frequency domain. It has been shown that the accuracy of the presented method is very high and stable - the error monotonically decreases as a function of the refinement factor.
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Design and Characterization of a Planar Structure Wideband Millimeter-Wave Antenna with Wide Beamwidth for Wearable off-body Communication Applications
PublicationThis letter presents the design of a planar single-layer wideband antenna featuring wide beamwidth has well as high and stable in-band gain. The proposed antenna is a planar monopole fed by a bottom-grounded coplanar waveguide to realize wide beamwidth in both the xz- and yz-planes. Simultaneous optimization of all adjustable antenna parameters, carried out at the full-wave electromagnetic simulation level. The constructive interference...
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Stabilizing lactate production through repeated batch fermentation of food waste and waste activated sludge
PublicationBio-valorization of organic waste streams, such as food waste and waste activated sludge, to lactic acid (LA) has recently drawn much attention. It offers an opportunity for resource recovery, alleviates environmental issues and potentially turns a profit. In this study, both stable and high LA yield (0.72 ± 0.15 g/g total chemical oxygen demand) and productivity rate (0.53 g/L•h) were obtained through repeated batch fermentation....
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Influence of meteorogical conditions om PM10 concentration in Gdańsk
PublicationThe paper presents the investigation of influence of meteorological conditions on the concentration of PM!) in Gdańsk in 2011 year. on the examples of episodes og high concentrations in this year. The results have shown the most crucial factors for high episodes of PM10: anticyclone atmospheric circulation, stable atmosphere conditions, low wind velocity and the occurence of inversion layer.
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Application of multistage treatment wetlands as a buffer for effluent from Anammox treatment for reject water from centrifugation
PublicationAccording to the newest knowledge concerning TW technology multistage treatment wetland could be easily applied for ensuring stable and low concentration of biogenic compounds form the effluent of SBR reactor (with nitritation/annamox process) for treatment of digested sludge dewatering in side stream. The working condition and optimising of such MTW will be the issue of carried out investigation.
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GAS SENSORS WITH TEMPERATURE MODULATION – AN OVERVIEW
PublicationAlthough different methods of improving semiconductor gas sensor properties have been proposed, a technique involving temperature modulation seems to be the most promising. Semiconductor gas sensors working with modulated temperature can be more stable and are more selective comparing with sensor working at one temperature. In this paper, various approaches to temperature modulation are reviewed.
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MPPT and GMPPT Implementation for Buck-Boost Mode Control of quasi-Z-Source Inverter
PublicationThe focus is on the maximum power point tracking implementation for the buck-boost voltage mode control of a single-phase multilevel inverter based on a three-level neutral point clamped quasi-Z-source topology. To utilize shoot-through states only when boost function is needed and avoid it in the buck mode, two different control approaches are required. This work proposes merged control system which provides switching between...
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Effect of chemical structure on complexation efficiency of aromatic drugs with cyclodextrins: The example of dibenzazepine derivatives
PublicationIt is widely believed that the hydrophobic effect governs the binding of guest molecules to cyclodextrins (CDs). However, it is also known that high hydrophobicity of guest molecules does not always translate to the formation of stable inclusion complexes with CDs. Indeed, a plethora of other factors can play a role in the efficiency of guest–CD interactions, rendering structure-based prediction of the complexation efficiency with...
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Thermochemistry of rare earth perovskites Na3xRE0.67−xTiO3 (RE = La, Ce)
PublicationHigh-temperature oxide melt solution calorimetry using sodium molybdate (3Na2O·4MoO3) solvent at 973 K was performed for the Na3xRE0.67−xTiO3 (RE = La, Ce) perovskite series. The enthalpies of formation of lanthanum perovskites from oxides (La2O3, Na2O, TiO2), are −107.25 ± 2.56, −93.83 ± 6.06, −80.68 ± 5.93, and −33.49 ± 4.26 kJ/mol and enthalpies of formation from elements are −1614.05 ± 5.37, −1596.44 ± 7.68, −1594.03 ± 7.58,...
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Synthesis of thiol derivatives of azobenzocrown ethers. The preliminary studies on recognition of alkali metal ions by gold nanoparticles functionalized with azobenzocrown and lipoic acid
PublicationThe article presents the synthesis of novel 13- and 16-membered azobenzocrown derivatives with peripheral thiol moieties and preliminary studies assessing their possible application in plasmonic sensors based on gold nanoparticles. The effect of the length of the chain connecting the macrocycle with the thiol group and the effect of the presence of the additional functional compound,...
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Burnout as a State: Random-Intercept Cross-Lagged Relationship Between Exhaustion and Disengagement in a 10-Day Study
PublicationBackground: Burnout has been traditionally seen as a chronic and stable state in response to prolonged stress. However, measures of momentary burnout are not well established, even though the within-person approach suggests that the symptoms of burnout may vary from day to day for the same employee. The aim of this study is to examine the daily inter- and intra-personal variability of the symptoms of burnout and the cross-lagged relationship...
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On the mechanism of photocatalytic reactions on CuxO@TiO2 core–shell photocatalysts
PublicationTitania (titanium(IV) oxide) is a highly active, stable, cheap and abundant photocatalyst, and is thus commonly applied in various environmental applications. However, two main shortcomings of titania, i.e., charge carrier recombination and inactivity under visible-light (vis) irradiation, should be overcome for widespread commercialization. Accordingly, titania has been doped, surface modified and coupled with various ions/compounds,...
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Multiple-channel frequency-adaptive active vibration control using SONIC
PublicationSONIC (self-optimizing narrowband interference canceller) is an acronym of a new approach to rejection of sinusoidal disturbances acting at the output of a discretetime stable linear plant with unknown and possibly timevarying dynamics. The paper presents two frequency-adaptive extensions of the multivariate SONIC algorithm. The efficacy of the proposed solutions is tested using our laboratory-scale active vibration control plant.
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Boron Difluoride Complexes of Carbamoyl Meldrum's Acids
Publication5-[Hydroxy(aryl/alkylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-diones react with BF3•Et2O in mild conditions leading to the formation of boron difluoride complexes of carbamoyl Meldrum's acids. The X-ray structure has been obtained for one representative complex. The obtained new compounds are fairly stable at standard ambient conditions and easily isolable.
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Active feedback noise control in the presence of impulsive disturbances
PublicationThe problem of active feedback control of a narrowband acoustic noise in the presence of impulsive disturbances is considered. It is shown that, when integrated with appropriately designed outlier detector, the proposed earlier feedback control algorithm called SONIC is capable of isolating and rejecting noise pulses. According to our tests this guarantees stable and reliable operation of the closed-loop noise cancelling...