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(1H-Pyrazole-[kappa]N)bis(tri-tert-butoxysilanethiolato-[kappa]2O,S)cadmium
PublicationThe CdII atom in the title complex, [Cd(C12H27O3SSi)2-(C3H4N2)], is penta-coordinated by two O and two S atoms from the O,S-chelating silanethiolate residue and one pyrazole N atom in a distorted trigonal-bipyramidal geometry. The pyrazole ligand forms an intramolecular N-H---O hydrogen bond.
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The paired-domination and the upper paired-domination numbers of graphs
PublicationIn this paper we obtain the upper bound for the upper paired-domination number and we determine the extremal graphs achieving this bound. Moreover we determine the upper paired- domination number for cycles.
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Filtering EBG Structures Implemented in Coplanar Waveguide Feedline of Planar Slot Antenna
PublicationA novel compact dual-band slot antenna fed by a coplanar waveguide (CPW) incorporating electromagnetic band gap (EBG) structures has been proposed. At first, a classic wideband slot antenna fed by a CPW, dedicated to work in 2 ÷ 18 GHz band, has been designed. Subsequently, by adding simple EBG filtering structures into a CPW feedline, a dual-band performance ranging from 2.5 to 5.3 GHz and from 13.5 to 16.3 GHz, with the voltage...
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A new finite element with variable Young's modulus
PublicationThe Finite Element Method (FEM) is a numerical technique that is well-established in the field of engineering. However, in biological sciences, it is justtaking its first steps. Bone tissue is an example of biological material which isexposed to high loads in its natural environment. Practically every movementof the body results in changing stress levels in the bone. Nature copes with thisvery well but when human intervention is...
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A method for preliminary estimation of the length of midship body block to be inserted during ship’s conversion
PublicationThe paper presents a method for preliminary estimation of the length of the midship body block, which inserted in the original hull, increases the deadweight of the ship in line with a required quantity. The method may be useful for establishing the scope of conversion to better adjust the ship for transportation tasks. The problem is formulated by using a mathematical model so selected that its solution, under set of assumptions,...
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Energy efficient indoor localisation for narrowband internet of things
PublicationThere are an increasing number of Narrow Band IoT devices being manufactured as the technology behind them develops quickly. The high co-channel interference and signal attenuation was seen in edge Narrow Band IoT devices make it challenging to guarantee the service quality of these devices. To maximize the data rate fairness of Narrow Band IoT devices, a multi-dimensional indoor localization model is devised, consisting of...
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Redundancja jako sposób zwiększenia niezawodności siłowni okrętowych
PublicationJednym z istotnych sposobów zapewnienia wysokiego poziomu niezawodności siłowni okrętowych jest zaprojektowanie redundancji jego elementów strukturalnych, np.: nadmiarowości strukturalnej systemów generowania energii, układów napędowych itp. W niniejszym artykule omówiono zagadnienia związane z nadmiarem, jako sposobem zwiększenia niezawodności systemów generowania energii i napędu statku. W szczególności zaś zostały zaprezentowane...
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Modeling of Accidental Bunker Oil Spills as a Result of Ship's Bunker Tanks Rupture - a Case Study
PublicationAIS (Automatic Identification System) data analysis is used to define ship domain for grounding scenarios. The domain has been divided into two areas as inner and outer domains. Inner domain has clear border, which is based on ship dynamic characteristics. Violation of inner domain makes the grounding accident unavoidable. Outer domain area is defined with AIS data analyzing. Outer domain shows the situation of own ship in compare...
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Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid
PublicationThe first example of CO2 diphosphination is described. Reactions of unsymmetrical diphosphanes with CE2 (E = O, S) catalyzed by BPh3 insert a CE2 molecule into the P-P bond with formation of the products of the general formula R2P-E-C(=E)-PR2. The obtained CO2 adducts arise from synergistic interaction of diphosphane and borane with CO2 molecule.
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Method of Skeletal System Modelling
PublicationAn original method of skeletal system modelling is presented in detail. Using DICOM images obtained from CT and PET tests, shell models of nine bones were created (humerus, radius, ulna, scapula, clavicle, femur, tibia, fibula, pelvis). Two methods of bone behaviour are also proposed, the first method treating the bone as a solid structure and the second method treating the bone as a complex porous structure. The behaviour of model...
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Noninvasive method for rotor fault diagnosis in inverter fed induction motor drive
PublicationThis article presents a proposal, simulation and experimental results of a noninvasive rotor fault diagnosis method for the inverter fed induction motor drive. Comparing to reported methods the proposed one does not require any load, rotor brake, slip, mechanical or electrical system physical modification e.g. machine disassembly and can be applied regardless the rotor speed measurement or estimation method.
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A hybrid model of flooding of the ro-ro ships in damaged conditions
PublicationThe paper presents some results on investigations concerning development of a hybrid model for assessment of performance of the ro‐ro ships in damaged conditions. The model is devoted towards assessing the performance of the damaged ro‐ro ships at the preliminary stage of design. The key problems associated with preparing of such the model are associated with working out a method of assessment of the damaged roro ships performance,...
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Investigation of the structural and thermal properties of aluminum-rich Ca–Al–Si–O–N glasses
PublicationIn this paper, we investigate the structure and thermal properties of aluminum-rich transparent Ca–Al–Si–O–N glasses. The obtained glasses were prepared by a traditional melt-quenching technique at 1650 °C using AlN as the nitrogen source. The obtained glasses have a nAl/nSi>1 and contain up to 17 eq.% of N. The structure of the glasses was characterized by X-ray diffraction, X-ray photoelectron spectroscopy, infrared, and Raman...
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Synthesis of Combretastatin A-4 Analogs and their Biological Activities
PublicationCombretastatin A-4 (CA-4) is a natural product, which consists of two phenyl rings, linked by an ethylene bridge. CA-4, inhibitor of polymerization of tubulin to microtubules, possesses a strong antitumor and anti-vascular properties both in vitro and in vivo. Previous studies showed that disodium phosphate salt of CA-4, a water-soluble prodrug is well tolerated at therapeutically useful doses. However, it should be noted that...
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Novel “acid tuned” deep eutectic solvents based on protonated L-proline
PublicationThe paper presents new types of deep eutectic solvents (DESs) based on L-proline protonated using three different acids (hydrochloric, sulfuric and phosphoric)and playing the role of a hydrogen bond acceptor(HBA). Glucose and xylitol were used as hydrogen bond donors (HBD). A series of deep eutectic solvents with various mole ratios were obtained for the systems L-proline: glucose and L-proline: xylitol. Density, melting point,...
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Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes
PublicationWe present a series of amino- and aryl(diphosphino)boranes R2PB(R’’)PR’2, where R2P, R’2P = tBu2P, tBuPhP, Ph2P, Cy2P, and R’’ = iPr2N, Ph, which were obtained via the metathesis reaction of iPr2NBBr2 or PhBBr2 with selected lithium phosphides. The structures of isolated diphosphinoboranes were characterized in the solid state and in solution by means of X-ray diffraction and NMR spectroscopy, respectively. The utility of these...
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Conjugates of Ciprofloxacin and Levofloxacin with Cell-Penetrating Peptide Exhibit Antifungal Activity and Mammalian Cytotoxicity
PublicationSeven conjugates composed of well-known fluoroquinolone antibacterial agents, ciprofloxacin (CIP) or levofloxacin (LVX), and a cell-penetrating peptide transportan 10 (TP10-NH2) were synthesised. The drugs were covalently bound to the peptide via an amide bond, methylenecarbonyl moiety, or a disulfide bridge. Conjugation of fluoroquinolones to TP10-NH2 resulted in congeners demonstrating antifungal in vitro activity against human...
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Structural and Dynamic Properties of Water within the Solvation Layer around Various Conformations of the Glycine-based Polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighboring space around these molecules were investigated. It was found that water forms a well-defined layer—the first solvation shell—around the peptide molecule, and thickness of this layer is independent of the peptide structure and is equal to approximately 0.28 nm. Within...
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Analysis of possible application of high-temperature nuclear reactors to contemporary large-output steam power plants on ships
PublicationThis paper is aimed at analysis of possible application of helium to cooling high-temperature nuclear reactor to be used for generating steam in contemporary ship steam-turbine power plants of a large output with taking into account in particular variable operational parameters. In the first part of the paper types of contemporary ship power plants are presented. Features of today applied PWR reactors and proposed HTR reactors...
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Potential Energy Curves of Diatomic Alkali Molecules Datasets
PublicationThe datasets described in this article contain potential energy curves for several diatomic systems. The data was obtained via high-performance computing using MOLPRO, a system of ab initio programs for advanced molecular electronic structure calculations. The datasets allow to model bond lengths, energy levels, spectra and time-evolution of molecular dimers for which the data are presented.
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Thermal Design of Double Pipe Heat Exchanger Used as an Oil Cooler in Ships: A Comparative Case Study
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Thermodynamic Analysis of a Closed-Cycle Ocean Thermal Energy Conversion Power Plant for Offshore Platforms
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Effect of nitrogen doping on TiOxNy thin film formation at reactive high-power pulsed magnetron sputtering
PublicationThe paper is focused on a study of formation of TiOxNy thin films prepared by pulsed magnetron sputtering of metallic Ti target. Oxygen and nitrogen were delivered into the discharge in the form of reactive gases O2 and N2. The films were deposited by high-power impulse magnetron sputtering working with discharge repetition frequency f = 250 Hz at low (p = 0.75 Pa) and high (p = 10 Pa) pressure. The substrates were on floating...
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Copper(II) complexes with substituted imidazole and chlorido ligands: X-ray, UV-Vis, magnetic and EPR studies and chemotherapeutic potential
PublicationCrystal structures, UV-Vis and EPR spectra and magnetic properties of four copper(II) complexes with chloride anions and 4-methylimidazole, 2-ethylimidazole, 2-isopropylimidazole or 2-ethyl-4-methylimidazole are described. In the solid state three of the complexes are mononuclear and one complex with 2-ethylimidazole is binuclear with bridging chlorido ions. UV-Vis spectra of the methanolic solutions of the complexes show LMCT...
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An updated method identifying collision-prone locations for ships. A case study for oil tankers navigating in the Gulf of Finland
PublicationTo ensure the risk level associated with continuously increasing maritime traffic through particularly sensitive sea areas remains at acceptable level, a periodic risk assessment needs to be carried out by the relevant authorities. As a part of such assessment, allowing for proactive countermeasures to mitigate risk, the frequency of accidents is estimated along with the assessment of geographical locations where the accidents...
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Destruction of shell structures under the dynamic load on the human skull trauma basis
PublicationThe main aim of this work is to investigate patterns of potential orbital bone fractures due to mechanical injuries. The solution of the main problem is followed by analysis of several testing examples having straight correlation with civil engineering structures, in which materials of wide range of stiffness are applied. To solve the main problem, the three-dimensional finite element method (FEM) model of the orbital region has...
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Numerical analysis of the container vessel's self-propulsion at different rudder deflection angles
PublicationNowadays, CFD becomes one of the most commonly used research method in ship hydrodynamics, limited to the analyses of hull resistance in calm water. With continuously improving computing power and increasingly more accurate numerical methods it is possible to simulate more complex cases. State of the art CFD tools also enable development of new ways of assessing ship maneuvering performance. This paper presents an attempt on...
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Numerical analysis of the container vessel's self-propulsion at different rudder deflection angles
PublicationNowadays, CFD becomes one of the most commonly used research method in ship hydrodynamics, limited to the analyses of hull resistance in calm water. With continuously improving computing power and increasingly more accurate numerical methods it is possible to simulate more complex cases. State of the art CFD tools also enable development of new ways of assessing ship maneuvering performance. This paper presents an attempt on using...
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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublicationThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...
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Absorptive Desulfurization of Model Biogas Stream Using Choline Chloride-Based Deep Eutectic Solvents
PublicationThe paper presents a synthesis of deep eutectic solvents (DESs) based on choline chloride (ChCl) as hydrogen bond acceptor and phenol (Ph), glycol ethylene (EG), and levulinic acid (Lev) as hydrogen bond donors in 1:2 molar ratio. DESs were successfully used as absorption solvents for removal of dimethyl disulfide (DMDS) from model biogas steam. Several parameters affecting the absorption capacity and absorption rate have been...
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Effect of choline chloride based natural deep eutectic solvents on aqueous solubility and thermodynamic properties of acetaminophen
PublicationIn this work, natural deep eutectic solvents (NADESs) containing choline chloride as hydrogen bond acceptor and 1,2-propanediol, malic acid and tartaric acid as hydrogen bond donors have been synthesized and applied to enhance the aqueous solubility of model sparingly water-soluble drug – acetaminophen. The results indicate that the greatest impact on the solubility of acetaminophen have deep eutectic solvents based on 1,2-propanediol...
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Algorytmy wyodrębniania składowych symetrycznych sygnału pomiarowego napięcia w przypadku asymetrii sieci trójfazowej
PublicationW artykule zaprezentowano działanie wybranych algorytmów wykorzystywanych do wyodrębniania składowych symetrycznych z sygnałów pomiarowych napięcia lub prądu w przypadku wystąpienia asymetrii trójfazowej sieci elektroenergetycznej. Weryfikacji działania algorytmów dokonano na podstawie badań symulacyjnych i laboratoryjnych w układzie w którym jako odbiornik zastosowano stojan maszyny asynchronicznej pierścieniowej. Określono wpływ...
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Positron binding to alkali-metal hydrides: The role of molecular vibrations
PublicationThe bound vibrational levels for J=0 have been computed for the series of alkali-metal hydride molecules from LiH to RbH, including NaH and KH. For all four molecules the corresponding potential-energy curves have been obtained for each isolated species and for its positron-bound complex (e+XH). It is found that the calculated positron affinity values strongly depend on the molecular vibrational state for which they are obtained...
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Holistic collision avoidance decision support system for watchkeeping deck officers
PublicationThe paper presents a 3-stage synthesis-based Decision Support System for watchkeeping deck officers. Its functional scope covers conflict detection, maneuver selection, and maneuver execution, all phases supplemented by collision alerts. First, a customized elliptic ship domain is used for checking if both OS and TS will have enough free space. A survey-based navigators’ declarative OS arena is then used to determine the time at...
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Two-Rate Based Low-Complexity Variable Fractional-Delay FIR Filter Structures
PublicationThis paper considers two-rate based structures for variable fractional-delay (VFD) finite-length impulse response (FIR) filters. They are single-rate structures but derived through a two-rate approach. The basic structure considered hitherto utilizes a regular half-band (HB) linear-phase filter and the Farrow structure with linear-phase subfilters. Especially for wide-band specifications, this structure is computationally efficient...
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Understanding the Electronic Structure and Optical Properties of Vacancy-Ordered Double Perovskite A2BX6 for Optoelectronic Applications
PublicationOver the past few years, metal halide perovskite solar cells have made significant advances. Currently, the single-junction perovskite solar cells reach a conversion efficiency of 25.7%. Perovskite solar cells with a wide band gap can also be used as top absorber layers in multi-junction tandem solar cells. We examined the dynamical and thermal stability, electronic structure, and optical features of In2PtX 6 (X = Cl, Br, and I)...
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Topological extraordinary optical transmission
PublicationΤhe incumbent technology for bringing light to the nanoscale, the near-field scanning optical microscope, has notoriously small throughput efficiencies of the order of 10^4-10^5 or less. We report on a broadband, topological, unidirectionally guiding structure, not requiring adiabatic tapering and, in principle, enabling near-perfect (∼100%) optical transmission through an unstructured single arbitrarily subdiffraction slit at...
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Book Chapter in the Prime Archives in Chemistry: 2nd Edition (dissemination of knowledge)
PublicationTo cite a chapter in a book include: Jaroslaw Spychala. The CON−H….+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway. In: VSR Rajasekhar Pullabhotla, editor. Prime Archives in Chemistry: 2nd Edition. Hyderabad, India: Vide Leaf. 2022. https://doi.org/10.1155/2022/1707245
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Efficient Method for the Synthesis of Functionalized Basic Maleimides
PublicationA three-step procedure involving Diels-Alder condensation of maleic anhydride with furane, formation of N-substituted imide upon reaction with appropriate diamine and a final retro Diels-Alder regeneration of the maleic carbon-carbon double bond is proposed for an unequivocal synthesis of N-substituted basic maleimides. The novel method is characterized by mild reaction conditions, easy work-up, high yields and no need for additional...
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Dipole-driven dynamics for near-threshold electron/positron interactions with pyrimidinic DNA bases: a path to compound formations
PublicationCalculations are reported for electron and positron scattering from isolated cytosine and thymine, where the two pyrimidinic single-ring DNA bases, in the gas-phase at energies near the elastic threshold, they reveal the special features of the dipole-driven scattering states. All molecules examined exhibit, in fact, supercritical (>1.67 D) permanent dipoles which can therefore also support, below threshold, excited bound compound...
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Chemical Aspects of Biological Activity of Isothiocyanates and Indoles, the Products of Glucosinolate Decomposition
PublicationThere is growing evidence that cancer chemoprevention employing natural, bioactive compounds may halt or at least slow down the different stages of carcinogenesis. A particularly advantageous effect is attributed to derivatives of sulfur-organic phytochemicals, such as glucosinolates (GLs) synthesized mainly in Brassicaceae plant family. GLs are hydrolysed enzymatically to bioactive isothiocyanates (ITC) and indoles, which exhibit strong...
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ENERGY EFFICIENT AND ENVIRONMENTALLY FRIENDLY HYBRID CONVERSION OF INLAND PASSENGER VESSEL
PublicationThe development and growing availability of modern technologies, along with more and more severe environment protection standards which frequently take a form of legal regulations, are the reason why attempts are made to find a quiet and economical propulsion system not only for newly built watercraft units, but also for modernised ones. Correct selection of the propulsion and supply system for a given vessel affects significantly...
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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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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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Rapid redesign of multiband antennas with respect to operating conditions and material parameters of substrate
PublicationThis work addresses geometry parameter scaling of multi-band antennas for Internet of Things applications. The presented approach is comprehensive and permits re-design of the structure with respect to both the operating frequencies and material parameters of the dielectric substrate. A two-step procedure is developed with the initial design obtained from an inverse surrogate model constructed using a set of appropriately prepared...
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Constructive entanglement test from triangle inequality
PublicationWe derive a simple lower bound on the geometric measure of entanglement for mixed quantum states in the case of a general multipartite system. The main ingredient of the presented derivation is the triangle inequality applied to the root infidelity distance in the space of density matrices. The obtained bound leads to entanglement criteria with a straightforward interpretation. The proposed criteria provide an experimentally accessible,...
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Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides
PublicationBy the reaction of urea or thiourea, acetylacetone and hydrogen halide (HF, HBr or HI), we have obtained seven new 4,6-dimethyl-2-pyrimido(thio)nium salts, which were characterized by single-crystal X-ray diffraction, namely, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bifluoride, C₆H₉N₂O⁺·HF₂⁻ or (dmpH)F₂H, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bromide, C₆H₉N₂O⁺·Br⁻ or (dmpH)Br, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium...
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Theoretical study of thermofrictional oscillations due to negative friction-temperature characteristic
PublicationAnalytical study on oscillations of a body on a moving counterbody has been done by assuming imperfect frictional thermal contact and friction that decreases with contact temperature. It has been shown that stick-slip oscillation occurs due to decrease of friction coefficient when the body moves in the opposite direction to the counterbody. Dynamical characteristics, such as conditions for stable sliding and limit cycles, have...
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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublicationHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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Power efficient thrust allocation algorithms in design of dynamically positioned ships
PublicationAssessment of power consumption on a Dynamically Positioned (DP) ship in the early design stage can assist crucial design choices. The study presents a comparison between two algorithms of optimal thrust allocation in a propulsion system for an over-actuated DP ship. Applied algorithms were Quadratic Programming (QP) and Non- dominated Sorting Genetic Algorithm II (NSGAII). Based on both approaches, tools were developed for ship...