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Nano-structured Pt embedded in acidic salts of heteropolymolybdate matrices: MS EXAFS study
PublikacjaA structural study of Pt nano-catalysts is presented in the paper. The innovation in the case of the considered catalytic materials resides in the use a meso-microporous inorganic matrix of heteropolyacid salt of composition X2.5H0.5YMo12O40 where X = Rb, Cs and Y = P, Si as a catalyst support. Metallic nanoparticles were created by platinum ions reduction in a hot H2/Argon stream and were mainly located into matrix pores. As the...
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Determinants of Directionality and Efficiency of the ATP Synthase Fo Motor at Atomic Resolution
PublikacjaFo subcomplex of ATP synthase is a membrane-embedded rotary motor that converts proton motive force into mechanical energy. Despite a rapid increase in the number of high-resolution structures, the mechanism of tight coupling between proton transport and motion of the rotary c-ring remains elusive. Here, using extensive all-atom free energy simulations, we show how the motor’s directionality naturally arises from the interplay...
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A coarse‐grained approach to NMR ‐data‐assisted modeling of protein structures
PublikacjaThe ESCASA algorithm for analytical estimation of proton positions from coarse-grained geometry developed in our recent work has been implemented in modeling protein structures with the highly coarse-grained UNRES model of polypeptide chains (two sites per residue) and nuclear magnetic resonance (NMR) data. A penalty function with the shape of intersecting gorges was applied to treat ambiguous distance restraints, which automatically...
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Bondage number of grid graphs
PublikacjaThe bondage number b(G) of a nonempty graph G is the cardinality of a smallest set of edges whose removal from G results in a graph with domination number greater than the domination number of G. Here we study the bondage number of some grid-like graphs. In this sense, we obtain some bounds or exact values of the bondage number of some strong product and direct product of two paths.
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Possible uses of crisis situation aiding system in virtual world simulation
PublikacjaMany of the real world crisis situations like spreading fire, hostile units attack, flood, and etc. are commonly used in computer games where a simulation of extensive virtual world is crucial. This paper presents some ideas for possible uses of existing crisis situation aiding system in such environments. Moreover it shows how this kind of system can be taught during subsequent games with a large number of players.
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Charakterystyka hydrogeochemiczna wód podziemnych rejonu Przylądka Rozewie na podstawie badań ich naturalnych wypływów
PublikacjaW niniejszym artykule zostały przedstawione wyniki badań, które były prowadzone w strefie brzegowej rejonu Przylądka Rozewie. Prowadzone w latach 2013-2014 badania miały charakter monitoringu podstawowych właściwości fizykochemicznych oraz oznaczenia składu jonowego wód wypływających ze zbocza w obrębie badanego terenu. Warunki hydrogeochemiczne rejonu Przylądka Rozewie są kształtowane pod wpływem specyficznego nadmorskiego klimatu,...
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Amygdalin: Toxicity, Anticancer Activity and Analytical Procedures for Its Determination in Plant Seeds
PublikacjaAmygdalin (D-Mandelonitrile 6-O--D-glucosido--D-glucoside) is a natural cyanogenic glycoside occurring in the seeds of some edible plants, such as bitter almonds and peaches. It is a medically interesting but controversial compound as it has anticancer activity on one hand and can be toxic via enzymatic degradation and production of hydrogen cyanide on the other hand. Despite numerous contributions on cancer cell lines, the clinical...
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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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Characterization of 1,3-alternate calix[4]arene-silica bonded stationary phases and their comparison to selected commercial columns by using principal component analysis
PublikacjaTwelve calix[4]arene stationary phases in 1,3-alternate conformation, synthesized in the authors laboratory, were characterized in terms of their surface coverage, hydrophobic selectivity, aromatic selectivity, shape selectivity, hydrogen bonding capacity and ion-exchange capacity. The set of tests commonly used for evaluation of commercially available stationary phases was applied to assess fundamental chromatographic properties...
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Fe local structure in Pt-free nitrogen-modified carbon based electrocatalysts: XAFS study
PublikacjaThe paper presents a new results on the bonding environment (coordination number and geometry) and on oxidation states of Fe in nitrogen-modified Fe/C composites used as Pt-free catalysts for oxygen reduction in Direct Hydrogen Fuel Cells. Starting from glucose or fructose, two catalysts displaying different electrochemical performance were prepared and studied in the form of pristine powder and thin catalytic layer of electrode...
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Cation sensing by diphenyl-azobenzocrowns
PublikacjaMetal cations complexation and proton binding by 13- and 16-membered diphenyl-azobenzocrowns and diphenyl-hydroxyazobenzocrowns were studied in acetonitrile using spectroscopic methods: UV–vis spectroscopy, spectrofluorimetry, and 1H NMR spectroscopy. Phenyl moieties in benzene rings were found to affect binding strength alkali and alkaline earth metal cations and hydrogen ion, and affect tautomeric equilibrium of hydroxyazobenzocrowns....
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Saccharides
PublikacjaSaccharides are widely distributed in nature as the major component of fruits and vegetables (primarily monosaccharides), milk and malt (mainly disaccharides), and grains (mostly polysaccharides). They are an important source of energy, structural material, as well as flavor and taste factors. Molecules of this class of compounds contain mainly carbon, hydrogen, and oxygen atoms; however, most natural saccha- rides do not have...
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Small regulatory bacterial RNAs regulating the envelope stress response
PublikacjaMost bacteria encode a large repertoire of RNA-based regulatory mechanisms. Recent discoveries have revealed that the expression of many genes is controlled by a plethora of base-pairing noncoding small regulatory RNAs (sRNAs), regulatory RNA-binding proteins and RNA-degrading enzymes. Some of these RNA-based regulated processes respond to stress conditions and are involved in the maintenance of cellular homeostasis. They achieve...
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A calibration model for gas sensor array in varying environmental conditions
PublikacjaAbstract: Gas-analyzing systems based on gas sensors, commonly referred to as electronic noses, are the systems which enable the recognition of volatile compounds in their working environment and provide the on-line results of analysis. The most commonly used type of sensors in such systems is semiconductor gas sensors. They are considered to be the most reliable in the long-term applications (more than 1 year), however,...
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A calibration model for gas sensor array in varying environmental conditions
PublikacjaAbstract: Gas-analyzing systems based on gas sensors, commonly referred to as electronic noses, are the systems which enable the recognition of volatile compounds in their working environment and provide the on-line results of analysis. The most commonly used type of sensors in such systems is semiconductor gas sensors. They are considered to be the most reliable in the long-term applications (more than 1 year), however,...
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„Space, architecture and infrastructure “in-between cities”.
PublikacjaThe article presents contemporary city problems, like division of the city, infrastructural barriers, empty spaces, chaotic development, cuting-off areas, threatening the city image and functioning. These problems can be best observed in the areas in-between cities. One of the main questions for urban planners and architects seems thus to be: how to connect the city spaces instead of creating the barriers, how to create the areas...
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CONTEMPORARY APPROACH TOWARDS RESPONSIVE ARCHITECTURE
PublikacjaConstantly changing environment pressures every living for a change, and response becomes a basic reaction of any living form. Change is a natural reaction that enables survivor of all the species. However, in architecture, the responsive structure did not take important role until the twentieth century. During that time many concepts and building introduced kinematics into the discipline. In the late 50 and 60 of XX century, visionary...
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In silico modelling for predicting the cationic hydrophobicity and cytotoxicity of ionic liquids towards the Leukemia rat cell line, Vibrio fischeri and Scenedesmus vacuolatus based on molecular interaction potentials of ions
PublikacjaIn this study we present prediction models for estimating in silico the cationic hydrophobicity and the cytotoxicity (log [1/EC50]) of ionic liquids (ILs) towards the Leukemia rat cell line (IPC-81), the marine bacterium Vibrio fischeri and the limnic green algae Scenedesmus vacuolatus using linear free energy relationship (LFER) descriptors computed by COSMO calculations. The LFER descriptors used for the prediction model (i.e....
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On the relationship between the structural and volumetric properties of solvated metal ions in O-donor solvents using new structural data in amide solvents
PublikacjaThe structures of the N,N-dimethylformamide (dmf), N,N-dimethylacetamide (dma), and N,N-dimethylpropionamide (dmp) solvated strontium and barium ions have been determined in solution using large angle X-ray scattering and EXAFS spectroscopy. The strontium ion has a mean coordination number (CN) between 6.2 and 6.8, and the barium ion has a mean CN between 7.1 and 7.8 in these amide solvents. The non-integer numbers indicates that...
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublikacjaThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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Nanoparticle-assisted biohydrogen production from pretreated food industry wastewater sludge: Microbial community shifts in batch and continuous processes
PublikacjaBiohydrogen production from industrial waste has gained a significant attention as a sustainable energy source. In this study, the enrichment of biohydrogen production from pretreated dissolved air flotation (DAF) sludge, generated from food industry wastewater treatment plants, was investigated using SiO2@Cu-Ag dendrites cor- e–shell nanostructure (NS). The effect of NS on the changes of the microbial community and biohydrogen...
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Recent Advances in Polymer Nanocomposites: Unveiling the Frontier of Shape Memory and Self-Healing Properties—A Comprehensive Review
PublikacjaShape memory and self-healing polymer nanocomposites have attracted considerable attention due to their modifiable properties and promising applications. The incorporation of nanomaterials (polypyrrole, carboxyl methyl cellulose, carbon nanotubes, titania nanotubes, graphene, graphene oxide, mesoporous silica) into these polymers has significantly enhanced their performance, opening up new avenues for diverse applications. The...
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Parallel tabu search for graph coloring problem
PublikacjaTabu search is a simple, yet powerful meta-heuristic based on local search that has been often used to solve combinatorial optimization problems like the graph coloring problem. This paper presents current taxonomy of patallel tabu search algorithms and compares three parallelization techniques applied to Tabucol, a sequential TS algorithm for graph coloring. The experimental results are based on graphs available from the DIMACS...
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Cooperative Word Net Editor for Lexical Semantic Acquisition
PublikacjaThe article describes an approach for building Word Net semantic dictionary in a collaborative approach paradigm. The presented system system enables functionality for gathering lexical data in a Wikipedia-like style. The core of the system is a user-friendly interface based on component for interactive graph navigation. The component has been used for Word Net semantic network presentation on web page, and it brings functionalities...
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Clean gas technologies - towards zero-emission repowering of Pomerania.
PublikacjaThe main aim this work is to show the different thermodynamic cycles which improve efficiency and/or decrease emission like: Cheng cycle, Szewalski cycle, LOTHECO cycle, hybrid pSOFC/GT cycle, inverse Brayton cycle, low-emission cycle and zero-emission cycle. For that purpose, cycles and results of analysis are first studied and, secondly, new concept is presented. The role of coupled analysis 0D and 3D in cycle’s devices is also...
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Analysis of magnetic field distribution inside ferromagnetic thin shells during degaussing process
PublikacjaAnalysis of the demagnetization of a large ferromagnetic object like a ship, was conducted. The approximate mathematical model in the form of a long cylindrical shell of constant magnetic permeability was applied. The discrete degaussing winding was assumed and the current density and magnetic flux density distribution in the ferromagnetic shell wall were determined. Based on the frequential and temporal analysis the recommended...
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Evaluating Security and Resilience of Critical Networked Infrastructures after Stuxnet
PublikacjaThe chapter presents the current configuration of the simulation environment for the evaluations of the security and resilience of critical networked infrastructures, which enables simulations of Stuxnet-like attacks. The configuration includes new features added to the MAlSim - Mobile Agent Malware Simulator after the advent of Stuxnet in reference to the experiments aiming at the security evaluation of a power plant which we...
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GOOD HEALTH PRODUCTS AND POLYMER COMPOSITES OBTAINED WITH THE USE OF NATURAL ORIGIN MICRO- AND NANOFIBERS
PublikacjaThe aim of this work was focused on good health products and polymer composites obtained with the use of natural origin micro- and nanofibers. Many different type of the natural plants are used in the production of good health products and polymer processing like curcuma, cellulose, microalgae and others. Often are used as a antioxidants and fillers. In this work the effect of algae and cellulose as a microfillers on the chosen...
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Abdominal epilepsy in patient of schizophrenia - a diagnostic dilemma
PublikacjaAbdominal epilepsy is a rare and uncomman cause of recurrent abdominal pain. It is commonly occuring in children, but rarely in adolescent and elderly. Paroxysmal episodes of abdominal pain with neurological symptoms like dizziness, lethargy, and abnormal electroencephalogram and remarkable response to anticonvulsant confirms the diagnosis. Here we present a case of schizophrenia, who has repoted with recurrent abdominal pain...
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A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublikacjaElectron and positron scattering processes in the gas-phase are analysed for uracil and pyrimidine molecules using a multichannel quantum approach at energies close to threshold. The special effects on the scattering dynamics induced by the large dipole moments in both molecules on the spatial features of the continuum leptonic wavefunctions are here linked to the possible bound states of the Rydberg-like molecular anions or ‘positroned’...
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Analysis of Rolling Resistance of Tires With Run Flat Insert
PublikacjaRun flat properties are required for tires intended for special applications like military or rescue vehicles. Run-Flat inserts make possible to drive a car or truck, with certain restrictions, also when inflation pressure is very low or non-existing (after tire damage). Rolling resistance of tires rolling the inserts increases considerably in relation to the rolling resistance of properly inflated tires. This paper presents results...
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The Optical Transport Network Control Based on SDN Architecture
PublikacjaThe aim of this publication is to present research results on the usability of the Software-Defined Networking concept to control transport networks. For this purpose, an easy-to-use connection scheduler was developed capable of controlling connections in optical transport networks. The authors would like to present this solution and details of constructed SDN architecture implemented for modern optical transport solutions based...
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Developing competences for cooperation in international teams - tools and methods
PublikacjaThe article presents the training methods that can be used to develop intercultural competences which are extremely important while working in intercultural teams. The mentioned methods like: case-studies, collaborating, role-play simulations, team working, video presentations and others are presented on the basis of authors’ experiences while teaching the international groups of students at Faculty of Management and Economics...
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Multiscaled Hybrid Features Generation for AdaBoost Object Detection
PublikacjaThis work presents the multiscaled version of modified census features in graphical objects detection with AdaBoost cascade training algorithm. Several experiments with face detector training process demonstrate better performance of such features over ordinal census and Haar-like approaches. The possibilities to join multiscaled census and Haar features in single hybrid cascade of strong classifiers are also elaborated and tested....
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Multi-level Virtualization and Its Impact on System Performance in Cloud Computing
PublikacjaThe results of benchmarking tests of multi-level virtualized environments are presented. There is analysed the performance impact of hardware virtualization, container-type isolation and programming level abstraction. The comparison is made on the basis of a proposed score metric that allows you to compare different aspects of performance. There is general performance (CPU and memory), networking, disk operations and application-like...
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A Monte Carlo Strategy to simulate Positrons and Positronium in biological Materials
PublikacjaWe present an algorithm for Monte Carlo simulations of positron tracks in biological materials. The algorithm takes into account the cross-section data for elastic and inelastic collisions between positrons and molecules and processes like direct annihilation, ionization and positronium formation. In the case of positronium formation, the algorithm considers the interactions of positronium with molecules. The algorithm can be used...
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Dehydrogenation in electron-induced dissociative ionization of pyridine molecule
PublikacjaThe electron-impact dissociative ionization of pyridine has been investigated using mass spectrometry. Thirty-two well-resolved mass peaks have been identified in the cation mass spectra and assigned to the most likely ionic molecular fragments. The new sixteen ionic fragments' appearance energies have been determined, and sixteen others remeasured. The total cross-section for electron-impact ionization of pyridine has been measured...
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The properties of reduced Bi-Ge-O glasses for thermoelectric devices
PublikacjaThe bismuth-germanate glasses have been investigated to examine their applicability for thermoelectric devices. In order to increase their electrical conductivity, the 25Bi2O3–75GeO2 glass samples have been reduced at 340-380°C for 10 hours in hydrogen. It has been shown that such heat treatment in H2 leads to the reduction of metal ions Bi3+ and Ge4+ into neutral atoms and the formation of metal grains both in an amorphous glass...
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Rheology of polymer blends
PublikacjaPolymer blends are physical mixtures of two or more homopolymers or copolymers. This type of materials have wide spectrum of technological applications, and their properties are influenced, e.g., by the properties of single components and morphology of final material. The rheology of polymer blends is connected with the processing of polymer blends and is influenced by thermodynamics, morphology, and their evolution during testing....
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Seafloor characterisation using multibeam data: sonar image properties, seabed surface properties and echo properties
PublikacjaIn the paper, the approach to seafloor characterisation is presented. The multibeam sonars, besides their well verified and widely used applications like high resolution bathymetry and underwater object detection and imaging, are also the promising tool in seafloor characterization and classification, having several advantages over conventional single beam echosounders. The proposed approach relies on the combined, concurrent use...
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Studies on the charge density distribution in p-substituted phenylnitrenium cation
PublikacjaAniline and its derivatives are known to be mutagenic. This activity is caused by the formation of phenylnitrenium cations during aniline oxidation. Reactivity of the positively charged chemical species can be measured by means of s+ substituent constant. In this paper charge density distribution in p-substituted nitrenium cations and reactivity indices such as, hardness η, electronegativity χ , and electrophilicily ω were analyzed....
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Role of cholesterol in substrate recognition by -secretase
Publikacja-Secretase is an enzyme known to cleave multiple substrates within their transmembrane domains, with the amyloid precursor protein of Alzheimer’s Disease among the most prominent examples. The activity of -secretase strictly depends on the membrane cholesterol content, yet the mechanistic role of cholesterol in the substrate binding and cleavage remains unclear. In this work, we used all-atom molecular dynamics simulations to examine...
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10-Methyl- and 9,10-dimethyl acridinium methyl sulfate
PublikacjaThe title compounds, C(14)H(12)N(+).CH(3)O(4)S(-), (I), and C(15)H(14)N(+).CH(3)O(4)S(-), (II), respectively, crystallize with the planar 10-methylacridinium or 9,10-dimethylacridinium cations arranged in layers, parallel to the twofold axis in (I) and perpendicular to the 2(1) axis in (II). Adjacent cations in both compounds are packed in a 'head-to-tail' manner. The methyl sulfate anion only exhibits planar symmetry in (II)....
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Synthesis and properties of AxV2Al20 (A = Th, U, Np, Pu) ternary actinide aluminides
PublikacjaPolycrystalline samples of AxV2Al20 (A = Ce, Th, U, Np, Pu; 0.7 ≤ x ≤ 1.0) actinide intermetallics were synthesized using the arc-melting method. Crystal structure studies were performed by means of powder x-ray diffraction and the Rietveld refinement method. All studied compounds crystallize in the CeCr2Al20-type structure (space group Fd-3m, no. 227) with the actinoid and Ce atom located in the oversized icosahedral cage formed...
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Electronic structure of TbBa2Cu3O7
PublikacjaW pracy wykonano obliczenia kwantowomechaniczne struktury elektronowej hipotetycznego materiału TbBa2Cu3O7 (Dy123) metodą FP-LAPW (full potential - linearized augmented plane wave) w ramach formalizmu DFT (density functional theory) stosując przybliżenie GGA (generalized gradient approximation). Ze względu na silne oddziaływania korelacyjne elektronów 4f w atomie Tb zastosowano dodatkowo poprawkę kulombowską U w ramach modelu...
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Phosphinophosphoranes: Mixed-Valent Phosphorus Compounds with Ambiphilic Properties
PublikacjaHerein, 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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Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins
PublikacjaWe report major algorithmic improvements of the UNRES package for physics-based coarse-grained simulations of proteins. These include (i) introduction of interaction lists to optimize computations, (ii) transforming the inertia matrix to a pentadiagonal form to reduce computing and memory requirements, (iii) removing explicit angles and dihedral angles from energy expressions and recoding the most time-consuming energy/force terms...
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On the non-linear dynamics of torus-shaped and cylindrical shell structures
PublikacjaIn this study, the non-linear dynamic analysis of torus-shaped and cylindrical shell-like structures has been studied. The applied material is assumed as the functionally graded material (FGM). The structures are considered to be used for important machines such as wind turbines. The effects of some environmental factors on the analysis like temperature and humidity have been considered. The strain field has been calculated in...
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Usage of parametric echosounder with emphasis on buried object searching.
PublikacjaThe purpose of this article is to present the results of investigation to search for buried objects. The paper will contain echograms and other means of visualization from buried pipe placed between area of W?adys?awowo and gas platform and interesting in terms of the number of small and medium-sized unidentified objects found in the muddy bottom at different depths localized in the Gulf of Puck - results will be presented also...
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Economic crisis in Croatia
PublikacjaCroatia is becoming the 28th member of the European Union on July 1st, 2013. Croatia has gone a long way from a socialistic republic to an independent country recognized as one of the economic tigers of the Western Balkans in the first decade of the 21st century. Croatia has been hit by a global crisis which turned out to be a huge external shock for the region of the Western Balkans. Although it does not enter the economy through...