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Photoelectron and threshold photoelectron valence spectra of pyridine
Publication. The pyridine molecule has been examined by the means of photoelectron and threshold photoelectron spectroscopies. Ionization energies were determined for both outer and inner valence orbitals and new adiabatic values were also resolved. Vibronic structure associated with several states was assigned mainly to be due to C–C stretches and ring bends. Additionally a Rydberg state converging to 7b2 state was ascribed. The data shown...
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Magnetism and charge density waves in RNiC2(R=Ce,Pr,Nd)
PublicationWe have compared the magnetic, transport, galvanomagnetic, and specific-heat properties of CeNiC2, PrNiC2, and NdNiC2 to study the interplay between charge density waves (CDW) and magnetism in these compounds. The negative magnetoresistance in NdNiC2 is discussed in terms of the partial destruction of charge density waves and an irreversible phase transition stabilized by the field-induced ferromagnetic transformation is reported....
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On the independence number of some strong products of cycle-powers
PublicationIn the paper we give some theoretical and computational results on the third strong power of cycle-powers, for example, we have found the independence numbers alpha((C^2_10)^⊠3) = 30 and alpha((C^4 _14)^⊠3) = 14. A number of optimizations have been introduced to improve the running time of our exhaustive algorithm used to establish the independence number of the third strong power of cycle-powers. Moreover, our results establish...
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Synthesis of 3-(2-Alkylthio-4-chloro-5-methylbenzenesulfonyl)-2-(1-phenyl-3-arylprop-2-enylideneamino)guanidine Derivatives with Pro-Apoptotic Activity against Cancer Cells
PublicationThe untypical course of reaction between chalcones and benzenesulfonylaminoguanidines led to the new 3-(2-alkylthio-4-chloro-5-methylbenzenesulfonyl)-2-(1-phenyl-3-arylprop-2- enylideneamino)guanidine derivatives 8–33. The new compounds were tested in vitro for their impact on the growth of breast cancer cells MCF-7, cervical cancer cells HeLa and colon cancer cells HCT-116 by MTT assay. The results revealed that the activity of...
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Deep eutectic solvents based highly efficient extractive desulfurization of fuels – Eco-friendly approach
PublicationThe developed process is based on alternative, green and cheap solvents for efficient desulfurization of fuels. Several deep eutectic solvents (DESs) were successfully synthesized and studied as extraction solvents for desulfurization of model fuel containing thiophene (T), benzothiophene (BT) and dibenzothiophene (DBT). The most important extraction parameters (i.e. kind of DES, DES: fuel volume ratio, hydrogen bond acceptor:...
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Design and Optimization of Metamaterial-Based Dual-Band 28/38 GHz 5G MIMO Antenna with Modified Ground for Isolation and Bandwidth Improvement
PublicationThis letter presents a high-isolation dual-band multiple-input multiple-output (MIMO) antenna based on the ground plane modification and optimized metamaterials (MMs) for 5G millimeter-wave applications. The antenna is a monopole providing a dual-band response at 5G 28/38 bands with a small physical size (4.8 × 2.9 × 0.762 mm3, excluding the feeding line). The MIMO consists of two symmetric radiating elements arranged adjacently...
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High Isolation Metamaterial-based Dual-band MIMO Antenna for 5G Millimeter-wave Applications
PublicationThis article presents a high-isolation metamaterial-based dual-band multiple-input multiple-output (MIMO) antenna for 5G millimeter-wave communication networks. The proposed antenna is a pentagon-shaped monopole that provides a dual-band response with a wide operating bandwidth at 5G 28/28 bands. The antenna is printed on 0.508-mm-thick Rogers RT5880 substrate of relative permittivity ɛr =2.2. It exhibits a small physical size...
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The influence of polarization of titania nanotubes modified by a hybrid system made of a conducting polymer PEDOT and Prussian Blue redox network on the Raman spectroscopy response and photoelectrochemical properties
PublicationIn this work we show the impact of applied potential on network vibrations and photoelectrochemical properties of a composite material containing hydrogenated titania nanotubes and poly (3,4-ethylenedioxythiophene) with iron hexacyanoferrate (H-TiO2/pEDOT:Fehcf) acting as a redox centre. For this purpose, Raman spectroscopy measurements under the working electrode (WE) polarization were carried out, allowing investigation of changes...
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Superconducting SrSnP with Strong Sn–P Antibonding Interaction: Is the Sn Atom Single or Mixed Valent?
PublicationThe large single crystals of SrSnP were prepared using Sn self-flux method. The superconductivity in the tetragonal SrSnP is observed with the critical temperature of ∼2.3 K. The results of a crystallographic analysis, superconducting characterization, and theoretical assessment of tetragonal SrSnP are presented. The SrSnP crystallizes in the CaGaN structure type with space group P4/nmm (S.G. 129, Pearson symbol tP6) according...
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ON THE NON-LOCALITY OF TRIPARTITE NON-SINGALING BOXES EMERGING FROM WIRINGS
PublicationIt has been recently shown, that some of the tripartite boxes admittin g bilocal decom- position, lead to non-locality under wiring operation applied to t wo of the subsystems [R. Gallego et al. Physical Review Letters 109 , 070401 (2012)]. In the following, we study this phenomenon quantitatively. Basing on the known classes of bo xes closed un- der wirings, we introduce multipartite monotones which are count erparts of bipartite ones...
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General, Mild, and Metal-Free Functionalization of Indole and Its Derivatives Through Direct C3-Selenylation
PublicationA very mild method for the introduction of functionalized alkylselenyl group at C-3 position of the indole ring was developed. The proposed procedure consists of an electrophilic substitution of indole and its derivatives with bis(O,O-diisopropoxyphosphorothioyl) diselenide and subsequent cleavage of the P–Se bond with tetrabutylammonium fluoride in the presence of various electrophilic reagents. This method can be successfully...
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Pomiary grubości cienkich warstw metodą modulacji chromatycznej.
PublicationTematem artykułu jest pomiar grubości struktur cienkowarstwowych szerokostosowanych w optoelektronice, transparentnych warstw dielektrycznych. Grubość jest najistotniejszym parametrem warstwy i determinuje jej właściwościoptyczne. Metoda pomiaru grubości cienkich warstw powinna być bezkontaktowa, nieniszcząca, niekosztowna oraz odporna na zakłócenia
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Stormwater and snowmelt runoff storage control and flash flood hazard forecasting in the urbanized coastal basin.
PublicationCity of Gdańsk is located in a coastal region where changing climatic conditions increase the frequency of extreme weather events. Developing urbanization affects the hydrology of natural basins by simplification of the drainage system and reduction of infiltration and base flow. Consequently greater runoff rates flow into storm water collection systems, reservoirs and surrounding water bodies. Not only infrastructures of urban...
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Influence of nodes with positive eccentricity on load-carrying capasity of truss' top chords in trusses made of welded cold-formed members.
PublicationIn order to establish the influence of eccentric crossing of truss members on the load-carrying capacity of the folded chord of a hat-section truss, a research model was created and preliminary numerical analysis of the truss was performed with the use of Marc Mentat programme. Distorial instability of crossheads caused by deviation of loose (unmounted) channel section web’s bends was observed. Due to the slenderness of the section’s...
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Bistability in a One-Dimensional Model of a Two-Predators-One-Prey Population Dynamics System
PublicationIn this paper, we study a classical two-predators-one-prey model. The classical model described by a system of three ordinary differential equations can be reduced to a one-dimensional bimodalmap. We prove that this map has at most two stable periodic orbits. Besides, we describe the bifurcation structure of the map. Finally, we describe a mechanism that leads to bistable regimes. Taking this mechanism into account, one can easily...
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Fuzzy regresion approach to road safety analysis at regional level
PublicationRoad safety modelling on regional level of NUTS 2 in the EU is the complex issue and authors of this article indicate this in previous publications. NUTS 2 are basic regions for the application of regional policies (0.8-3 m inhabitants). During multivariate models development they discovered that it is difficult to make regression model well described all regions, even if they are from one country. In the first step Poisson model...
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Dual-band antenna with improved gain for WLAN and ISM applications
PublicationIn this Letter, a dual-band antenna with an improved gain is proposed. The structure features 9.7 and 10.4 dBi gain within 2.4 GHz to 2.5 GHz and 5 GHz to 6 GHz bands, respectively. This makes it suitable for WLAN and ISM applications. The structure comprises an asymmetrical pair of radiators and slots suspended over a reflector. The antenna is optimised in a two-stage process using a trust-region-based gradient search algorithm....
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Experimental determination of basic mechanical properties of elastomeric polymer
PublicationThere are a lot of different methods of repairing and reinforcing damaged structures, but when it comes to historical buildings and other cultural heritage objects, it is as much about mechanical safety as the aesthetical aspects. Recently, a new and innovative method of repairing damaged structures by filling the cracks with a specially prepared polymer mass has been proposed. This new and innovative technique, known as the Flexible...
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The importance of the shape of the protein–water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationA single kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in the solvation shell change along with the nature of the neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water are not very different from bulk water. The local...
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The importance of the shape of the protein-water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationSingle kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in solvation shell change along with the nature of neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water is not very different from bulk water. The local values of...
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Alternative Methods of Preparation of Soluble Keratin from Chicken Feathers
PublicationHuge amount of keratinous waste, especially birds’ feathers, demands more value-added application instead of dumping. The present work reports the results of experiments aimed at preparing soluble keratin useful for novel bioproduct formation. The effect of thermo-chemical treatments with various reducing agents, i.e. 2-mercaptoethanol, dithiothreitol, sodium m-bisulphite, and sodium bisulphite, as well as sodium hydroxide, on...
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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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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublicationIn this work, the novel deep eutectic solvents (DESs) based on 3-amino-1-propanol (AP) as hydrogen bond donor (HBD) and tetrabutylammonium bromide (TBAB) or tetrabutylammonium chloride (TBAC) or tetraethylammonium chloride (TEAC) as hydrogen bond acceptors (HBAs) were synthesized with different molar ratios of 1: 4, 1: 6 and 1: 8 salt to AP. Fourier Transform Infrared Spectroscopy measurements were performed to provide an evidence...
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How acidic amino acid residues facilitate DNA target site selection
PublicationDespite the negative charge of the DNA backbone, acidic residues (Asp/Glu) commonly participate in the base readout, with a strong preference for cytosine. In fact, in the solved DNA/protein structures, cytosine is recognized almost exclusively by Asp/Glu through a direct hydrogen bond, while at the same time, adenine, regardless of its amino group, shows no propensity for Asp/Glu. Here, we analyzed the contribution of Asp/Glu...
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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublicationIn this work, the novel deep eutectic solvents (DESs) based on 3-amino-1-propanol (AP) as hydrogen bond donor (HBD) and tetrabutylammonium bromide (TBAB) or tetrabutylammonium chloride (TBAC) or tetraethylammonium chloride (TEAC) as hydrogen bond acceptors (HBAs) were synthesized with different molar ratios of 1:4, 1:6 and 1:8 salt to AP. Fourier Transform Infrared Spectroscopy measurements were performed to provide an evidence...
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Hydrophobic deep eutectic solvents in microextraction techniques–A review
PublicationOver the past decade, deep eutectic solvents (DES) have been widely studied and applied in sample preparation techniques. Until recently, most of the synthesized DES were hydrophilic, which prevented their use in the extraction of aqueous samples. However, after 2015 studies on the synthesis and application of hydrophobic deep eutectic solvents (HDES) has rapidly expanded. Due to unique properties of HDES i.e. density, viscosity,...
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Clays as Inhibitors of Polyurethane Foams’ Flammability
PublicationPolyurethanes are a very important group of polymers with an extensive range of applications in different branches of industry. In the form of foams, they are mainly used in bedding, furniture, building, construction, and automotive sectors. Due to human safety reasons, these applications require an appropriate level of flame retardance, often required by various law regulations. Nevertheless, without the proper modifications,...
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COMPUTER-AIDED DESIGN OF ORGANOPHOSPHORUS INHIBITORS OF UREASE
PublicationBased on the structure of the most potential inhibitor diamidophosphate, various novel groups of inhibitors were developed by knowledge-based design approach with covalent carbon-phosphorus or carbon-phosphorus-carbon bond to improve hydrolytic stability to inhibit the microbial ureases. Designed compounds were evaluated with 10 (LigScore1, LigScore2, PLP1, PLP2, JAIN, PMF, PMF04, LUDI_1, LUDI_2 and LUDI_3) different scoring functions...
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Bernstein-type theorem for ϕ-Laplacian
PublicationIn this paper we obtain a solution to the second-order boundary value problem of the form \frac{d}{dt}\varPhi'(\dot{u})=f(t,u,\dot{u}), t\in [0,1], u\colon \mathbb {R}\to \mathbb {R} with Sturm–Liouville boundary conditions, where \varPhi\colon \mathbb {R}\to \mathbb {R} is a strictly convex, differentiable function and f\colon[0,1]\times \mathbb {R}\times \mathbb {R}\to \mathbb {R} is continuous and satisfies a suitable growth...
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Materials for Mediator-free Electron Transfer in the Enzymatic Electrodes of Biobatteries and Biofuel Cells
PublicationWe present functionalization of single-walled carbon nanotubes (SWCNTs) and their application in the enzymatic fuel cells construction. SWCNTs were covalently modified with different types of aromatic moieties. Free radical reaction was employed to create direct carbon-carbon bond between moiety and SWCNTs. In second approach functionalization takes place through amide bonding. Functionalized SWCNTs were characterized by spectroscopy...
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Complexes of silanethiolate ligands: Synthesis, structure, properties and application
PublicationThe purposeful syntheses of silanethiolate complexes started approximately in the mid-eighties of the 20th century but no summary of the synthetic efforts has been reported till now. The synthetic methods and the resulting complexes have some common features, which are emphasized throughout the review. Thereby specific difficulties during synthesis are outlined and the structures, properties and possible applications of the resulting...
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Correlated Particle Motion and THz Spectral Response of Supercritical Water
PublicationMolecular dynamics simulations of supercritical water reveal distinctly different distance-dependent modulations of dipolar response and correlations in particle motion compared to ambient conditions. The strongly perturbed H-bond network of water at supercritical conditions allows for considerable translationaland rotational freedom of individual molecules. These changes give rise to substantially different infrared spectra and...
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Novel single-stranded DNA-binding proteins from extreme psychrophilic bacterium Psychromonas ingrahamii 37
PublicationWe report the identification and characterization of the single-stranded DNA binding protein (SSB) from extreme psychrophilic bacterium Psychromonas ingrahamii 37 (PinSSB) that grows expotentially at -12°C and may well grow at even lower temperatures. PinSSB is one of the largest known bacterial SSB protein consisting 222 amino acid residues with a calculated molecular mass of 25.1 kDa. The analysis by gel filtration chromatography...
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Orbital blowout trauma occurring at the workplace – clinical, biomechanical and legal aspects
PublicationIntroduction and objective: Craniofacial injury at the workplace may lead to orbital blowout fractures. The aim of the study is the development of own numerical model of the eye orbit, assessment of the damage zones, and comparing them with clinical examinations. In addition, the current legal status of patients after injuries is presented Material and methods: In laboratory tests performed on bones collected from the upper and...
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Medially positioned plate in first metatarsophalangeal joint arthrodesis
PublicationObjective The purpose of this study was to biomechanically compare the stability of first metatarsophalangeal (MTP1) joint arthrodesis with dorsally and medially positioned plates. Methods A physical model of the MTP1 joint consists of printed synthetic bones, a titanium locking plate and screws. In the experiments, samples with dorsally and medially positioned plates were subjected to loading of ground load character in a universal...
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The Application of Satellite Image Analysis in Oil Spill Detection
PublicationIn recent years, there has been an increasing use of satellite sensors to detect and track oil spills. The satellite bands, namely visible, short, medium infrared, and microwave radar bands, are used for this purpose. The use of satellite images is extremely valuable for oil spill analysis. With satellite images, we can identify the source of leakage and assess the extent of potential damage. However, it is not yet clear how to...
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Microfluidically Frequency-Reconfigurable Compact Self-Quadruplexing Tunable Antenna with High Isolation Based on Substrate Integrated Waveguide
PublicationThis communication presents a novel concept of microfluidically frequency-reconfigurable self-quadruplexing tunable antenna for quad-band applications. At the initial design stage, a substrate-integrated square cavity is divided into four unequal quarter-mode cavity resonators by inserting an X-shaped slot on the top surface of the cavity. Applying four 50-ohm microstrip feed-lines to these four quarter-mode cavity resonators enables...
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Design and Implementation of Multi-Band Reflectarray Metasurface for 5G Millimeter Wave Coverage Enhancement
PublicationA compact low-profile multi-band millimeter-wave (mm-wave) reflectarray metasurface design is presented for coverage enhancement in 5G and beyond cellular communication. The proposed single-layer metasurface exhibits a stable reflection response under oblique incidence angles of up to 60o at 24 and 38 GHz, and transmission response at 30 GHz, effectively covering the desired 5G mm-wave frequency bands. The proposed reflectarray...
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Dual-band Millimetre Wave MIMO Antenna with Reduced Mutual Coupling Based on Optimized Parasitic Structure and Ground Modification
PublicationIn this study, a high-isolation dual-band (28/38 GHz) multiple-input–multiple-output (MIMO) antenna for 5G millimeter-wave applications is presented. The antenna consists of two interconnected patches. The primary patch is connected to the inset feed, while the secondary patch is arc-shaped and positioned over the main patch, opposite to the feed. Both patches function in the lower 28 GHz band, while the primary patch is accountable...
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Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety
PublicationFour sulfonamide derivatives with a methoxyphenyl moiety, namely N-{4-[(2-methoxyphenyl)sulfamoyl] phenyl}acetamide (1a), N-{4-[(3-methoxyphenyl)sulfamoyl]phenyl}acetamide (1b), 4-amino-N-(2- methoxyphenyl)benzenesulfonamide (2a) and 4-amino-N-(3-methoxyphenyl)benzenesulfonamide (2b), have been synthesized and characterized physiochemically by CHNS, MS, FT-IR, 1H NMR, 13C NMR, PXRD and TG methods. Crystal structures were determined...
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Ultrasound-Assisted Dispersive Liquid-Liquid Microextraction Using Deep Eutectic Solvents (DESs) for Neutral Red Dye Spectrophotometric Determination
PublicationDeep eutectic solvents (DES), which have low toxicity and are low cost, biodegradable, and easily synthesized, were used for the extraction of neutral red (NR) dye before its spectrophotometric analysis. DES, containing choline chloride as a hydrogen bond acceptor and phenol as a hydrogen bond donor with a molar ratio of 1:2, was used for the extraction of NR dye from aqueous media. The possible interaction of different DESs with...
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Statistical evaluation of the changes in cellulose properties caused by the stepwise solvent exchange and esterification
PublicationThe objective of the research was to empirically confirm the changes in cellulose reactivity caused by the pre-treatment with solvents of different polarity. Therefore, 5 solvents varying in their polar component of surface tension from 0 to 4.6 mN/m were chosen. Their impact on the biopolymer properties was carefully analysed concerning chemical structure, crystallinity and surface characteristics. It was revealed that the length...
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Phosphinophosphoranes: Mixed-Valent Phosphorus Compounds with Ambiphilic Properties
PublicationHerein, we present a simple synthesis of mixed-valent phosphinophosphoranes bearing three- and five-coordinate phosphorus centers. Compounds with phosphorus–phosphorus bonds were synthesized via a reaction of lithium phosphides RR′PLi with cat2PCl (cat = catecholate), whereas derivatives with methylene-linked phosphorus centers were obtained via a reaction of phosphanylmethanides RR′CH2Li with cat2PCl. The presence of accessible...
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Interval incidence graph coloring
PublicationIn this paper we introduce a concept of interval incidence coloring of graphs and survey its general properties including lower and upper bounds on the number of colors. Our main focus is to determine the exact value of the interval incidence coloring number χii for selected classes of graphs, i.e. paths, cycles, stars, wheels, fans, necklaces, complete graphs and complete k-partite graphs. We also study the complexity of the...
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Optical Spectroscopic Studies of Tetrahydrofuran Fragmentation Induced by Collisions with Dihydrogen Cations
PublicationCollisions of dihydrogen cations with tetrahydrofuran molecules have been studied. Luminescence spectra and the emission functions of the excited products at projectile energies ranging from 8 to 1000 eV have been measured using collision-induced emission spectroscopy. The recorded spectra are dominated by the atomic lines of the hydrogen Balmer series, whose intensities decrease more quickly than derived by the quantum-theoretical...
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Application of acoustic emission for detection of fatigue microdemage in main and crank bearings for diesel engines
PublicationThe article presents reasons for applying the acoustic emission (AE) to detect fatigue microdamage in main bearings and crank bearings of ship main engines. Problem of determination of the fatigue life for slide bearing bushes was characterized in general. There were demonstrated properties of the objects of research, which were bushings made of the MB58 alloy, as well as an overall description of the research. It was shown that...
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Thermodynamical approach to quantifying quantum correlations
PublicationWe consider the amount of work which can be extracted from a heat bath using a bipartite state ρ shared by two parties. In general it is less then the amount of work extractable when one party is in possession of the entire state. We derive bounds for this “work deficit” and calculate it explicitly for a number of different cases. In particuar, for pure states the work deficit is exactly equal to the distillable entanglement of...
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Port-Based Modelling of Distributed-Lumped Parameter Systems
PublicationThere in the paper is presented an uniform, port-based approach to modelling of both lumped and distributed parameter systems. Port-based model of the distributed system has been defined by application of bond graph methodology and distributed transfer function method (DTFM). The approach proposed combines versatility of port-based modelling and accuracy of distributed transfer function method. The concise representation of lumped-distributed...
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Reactivity of triphosphinoboranes towards H3B·SMe2: access to derivatives of boraphosphacycloalkanes with diverse substituents
PublicationTriphosphinoboranes activated the B–H bond in the BH3 molecule without any catalysts at room temperature. Hydroboration reactions led to boraphosphacyloalkanes with diverse structures. The outcomes of reactions depend on the size of the phosphanyl substituent on the boron atom of the parent triphosphinoborane, where derivatives of boraphosphacyclobutane and boraphosphacyclohexane were obtained. Furthermore, the precursor of triphosphinoboranes,...
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Fatty acids as molecular carriers in cleavable antifungal conjugates
PublicationConjugates composed of C2-18 fatty acid (FA) residues as a molecular carrier and 5-fluorocytosine (5-FC) as an active agent, released upon the action of intracellular esterases on the ester bond between FA and “trimethyl lock” intramolecular linker, demonstrate good in vitro activity against human pathogenic yeasts of Candida spp. The minimal inhibitory concentrations (MIC) values for the most active conjugates containing caprylic...