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Search results for: FRUSTRATED LEWIS PAIRS
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Parallelization of large vector similarity computations in a hybrid CPU+GPU environment
PublicationThe paper presents design, implementation and tuning of a hybrid parallel OpenMP+CUDA code for computation of similarity between pairs of a large number of multidimensional vectors. The problem has a wide range of applications, and consequently its optimization is of high importance, especially on currently widespread hybrid CPU+GPU systems targeted in the paper. The following are presented and tested for computation of all vector...
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(CsX)Cu5O2(PO4)2 (X = Cl, Br, I): A Family of Cu2+ S = 1/2 Compounds with Capped-Kagomé Networks Composed of OCu4 Units
PublicationThree new salt inclusion compounds (CsX)Cu5O2(PO4)2 (X = Cl, Br, I), phosphate analogues of the kagomé mineral averievite, are reported. Their crystal structures are composed of trigonal networks of corner-sharing OCu4 anion-centered tetrahedra, forming capped-kagomé planes, which can also be regarded as two-dimensional slices along the [111] direction of a pyrochlore lattice. Magnetization and heat capacity measurements reveal...
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Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublicationThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...
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Homotopy invariance of the Conley index and local Morse homology in Hilbert spaces
PublicationIn this paper we introduce a new compactness condition — Property-(C) — for flows in (not necessary locally compact) metric spaces. For such flows a Conley type theory can be developed. For example (regular) index pairs always exist for Property-(C) flows and a Conley index can be defined. An important class of flows satisfying the this compactness condition are LS-flows. We apply E-cohomology to index pairs of LS-flows and obtain...
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A RECONNAISSANCE-SCALE GIS-BASED MULTICRITERIA DECISION ANALYSIS TO SUPPORT SUSTAINABLE BIOCHAR USE: POLAND AS A CASE STUDY
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Estimation of electrode contact in capacitive ECG measurement
PublicationIn the paper a method of electrode’s contact estimation in capacitive electrocardiogram (CECG) is presented. Proposed solution allows estimation of contact quality for each individual electrode. This enables construction of multi-electrode CECG systems, where electrode pairs can be selected on the basis of the individual electrode contact quality.
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Attractors of dissipative homeomorphisms of the infinite surface homeomorphic to a punctured sphere
PublicationA class of dissipative orientation preserving homeomorphisms of the infinite annulus,pairs of pants, or generally any infinite surface homeomorphic to a punctured sphere isconsidered. We prove that in some isotopy classes the local behavior of such homeomor-phisms at a fixed point, namely the existence of so-called inverse saddle, impacts thetopology of the attractor — it cannot be arcwise connected
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High load capacity spur gears with conchoidal path of contact
PublicationThe present study is devoted to investigation of spur gears with a conchoidal path of contact and a convex-convex contact between teeth. The load capacity and energy efficiency were evaluated using both theoretical and experimental approaches. The theoretical analysis showed that the conchoidal gear pairs are 5–21% stronger in terms of contact stress and have similar energy efficiency as compared to the involute gear pairs of the...
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Quenching effects in organic electroluminescence
PublicationWe examine various electronic processes that underlie the quenching of the emission from highly efficient phosphorescent and electrophosphorescent organic solid-state molecular systems. As an example, we study the luminescent efficiencies from the phosphorescent iridium (III) complex, fac tris (2-phenylpyridine) iridium [(Ir (ppy)3] doped into a diamine derivative doped polycarbonate hole-transporting matrix and in the form...
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MHD Casson flow across a stretched surface in a porous material: a numerical study
PublicationIn this study, we examine the nature of magnetohydrodynamic (MHD) Casson flow of fluid across a stretched surface in a porous material. It studies how the behaviour of Casson fluids is affected by a number of variables, including thermal radiation, chemical processes, Joule heating, and viscosity dissipation. The Keller box strategy, based on the finite difference method (FDM), is used to tackle the complex numerical problem. Graphical...
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Separability Assessment of Selected Types of Vehicle-Associated Noise
PublicationMusic Information Retrieval (MIR) area as well as development of speech and environmental information recognition techniques brought various tools in-tended for recognizing low-level features of acoustic signals based on a set of calculated parameters. In this study, the MIRtoolbox MATLAB tool, designed for music parameter extraction, is used to obtain a vector of parameters to check whether they are suitable for separation of...
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Is Digital Government Advancing Sustainable Governance? A Study of OECD/EU Countries
PublicationInternational bodies and numerous authors advocate a key role for Digital Government (DG) in improving public governance and achieving other policy outcomes. Today, a particularly relevant outcome is advancing Sustainable Governance (SG), i.e., the capacity to steer and coordinate public action towards sustainable development. This article performs an empirical study of the relationship between DG and SG using data about 41 OECD/EU...
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Synthesis of 5-Substituted 1H-Tetrazoles from Nitriles in the Presence of Heterogeneous Catalyst
PublicationTetrazoles are five-membered heterocyclic compounds containing in their rings four nitrogen atoms. They have wide applications as corrosion inhibitors, analytical reagents, high-energy materials and gas generating compositions. Tetrazoles also play important role in coordination chemistry as ligands and in medicinal chemistry as metabolically stable surrogates for carboxylic acids. In recent years, investigation of new method of...
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Chromium Cluster Luminescence: Advancing Near‐Infrared Light‐Emitting Diode Design for Next‐Generation Broadband Compact Light Sources
Open Research DataIn modern technology devices, an energy-saving miniature near-infrared (NIR) light source plays a critical role in non-destructive, non-invasive sensing applications and further advancement of technology. This dataset reports the broadband NIR luminescence of Cr3+ clusters for designing phosphor-converted NIR light-emitting diodes as an alternative...
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DNA restriction analysis as a supportive tool in mechanistic studies carried out by 32P-postlabelling
PublicationNumerous antitumor and carcinogenic compounds are able to modify DNA by forming covalent bonds with its constituents, while some anticarcinogenic compounds are known to prevent such a modification. All these processes are of vital biological import_ance, though deeper inside into factors influencing formation of DNA adducts is difficult due to the low level of their occurrence. 32P-Postlabelling approach ensures very sensitive...
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Covalent DNA modification by products of myrosinase catalysed glucosinolate degradation in cell-free system
PublicationThe bioactive phytochemicals found in Brassica vegetables belonging to glucosinolates (GLS) and especially the products of their degradation isothiocyanates (ITC) and indoles are regarded as the most promising cancer chemopreventive compounds. These secondary metabolites constitute defence system repelling or preventing the development of agrophages attacking brassica plants. The antibiological properties of these compounds suggest...
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Experimental generation of complex noisy photonic entanglement
PublicationWe present an experimental scheme based on spontaneous parametric down-conversion to produce multiple-photon pairs in maximally entangled polarization states using an arrangement of two type-I nonlinear crystals. By introducing correlated polarization noise in the paths of the generated photons we prepare mixed-entangled states whose properties illustrate fundamental results obtained recently in quantum information theory, in particular those...
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Magnetic field effects in dye-sensitized and organic solar cells
PublicationThe charge recombination and exciton dissociation are generally recognized as the basic electronic processes limiting the efficiency of photovoltaic devices. The aim of this thesis is to understand the electronic processes limiting the operation of efficient solar cells with particular emphasis on the role of electronic states endowed with magnetic dipole moment. The research work is divided into two parts. The first part deals...
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Model organizacji ruchu na sieci kolejowej z uwzględnieniem rekuperacji energii
PublicationNa wstępie przeanalizowano aktualny stan wiedzy z zakresu metod wykorzystywania energii z rekuperacji oraz istniejących modeli optymalizujących ich efektywność. Na tej podstawie za główny cel pracy wyznaczono opracowanie metody modyfikacji kolejowego rozkładu jazdy, która doprowadzi do zwiększenia efektywności wykorzystania energii pochodzącej z rekuperacji. W związku z powyższym postawiono tezę, że możliwe jest zwiększenie efektywności...
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Data obtained by numerical simulation for X-ray focusing using a finite difference method
Open Research DataThe propagation of X-ray waves through an optical system consisting of many X-ray refractive lenses is considered. For solving the problem for an electromagnetic wave, a finite-difference method is applied.
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Nongeminate recombination in organic bulk heterojunction solar cells: Contribution of exciton–polaron interaction
PublicationA new model to explain nongeminate recombination in organic bulk heterojunction solar cells is presented. We suggest that the annihilation of excitons on charge carriers at the interface between donor and acceptor phases competes with the bimolecular recombination of Coulombically bound electron–hole pairs. The exciton–polaron interaction gives visible contribution to the reduction of Langevin recombination. An analytical formula,...
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Previous Opinions is All You Need - Legal Information Retrieval System
PublicationWe present a system for retrieving the most relevant legal opinions to a given legal case or question. To this end, we checked several state-of-the-art neural language models. As a training and testing data, we use tens of thousands of legal cases as question-opinion pairs. Text data has been subjected to advanced pre-processing adapted to the specifics of the legal domain. We empirically chose the BERT-based HerBERT model to perform...
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The comparison of cytotoxic and genotoxic activities of glucosinolates, isothiocyanates, and indoles
PublicationChemopreventive properties of Brassica vegetables are attributed mainly to their characteristic compounds—glucosinolates (GLs) and their main hydrolysis products—isothiocyanates (ITCs) and indoles. In this study, we compared antiproliferative activity (MTT test in HT29 cells) and genotoxic effects (comet assay in HT29 cells and restriction analysis in a cell-free system) of three GLs (sinigrin (SIN), glucotropaeolin (GTL), and...
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Highly effective asphaltene-derived adsorbents for gas phase removal of volatile organic compounds
PublicationA novel nitrated asphaltene-derived adsorbent (Asf-Nitro) was prepared using facile isolation and modification procedures. The successful modification was confirmed by Fourier-transform infrared spectroscopy (FTIR). The nitrated adsorbent was evaluated in terms of dispersive and specific interactions, Lewis acid-base properties and adsorption isotherms by means of inverse gas chromatography (IGC). Nitration was found to be extremely...
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Review of Diameter protocol implementations for realization of communication in NGN networks
PublicationIn the paper Diameter protocol as well as its applications in the context of Next Generation Network (NGN) are described. Diameter message content and Attribute-Value Pairs (AVPs) concept are presented. Critical review of open source Diameter implementations is carried out. The performed analysis takes into consideration programming language, availability, support and documentation aspects. Basing on the review project fulfilling...
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Towards Effective Processing of Large Text Collections
PublicationIn the article we describe the approach to parallelimplementation of elementary operations for textual data categorization.In the experiments we evaluate parallel computations ofsimilarity matrices and k-means algorithm. The test datasets havebeen prepared as graphs created from Wikipedia articles relatedwith links. When we create the clustering data packages, wecompute pairs of eigenvectors and eigenvalues for visualizationsof...
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Why is the cubic structure preferred in newly formed ice?
PublicationMolecular dynamics was employed to explain the preference for the cubic structure in newly formed crystals of ice. The results showed that in supercooled liquid water the molecules connected by hydrogen bonds are more likely to adopt relative orientations similar to the ones characteristic for cubic ice. The observed preference for certain relative orientations of molecules in the hydrogen-bonded pairs results in the higher probability...
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Ultrahigh Quantum Efficiency Near-Infrared-II Emission Achieved by Cr3+ Clusters to Ni2+ Energy Transfer
Open Research DataIncreasing demand for near-infrared-II (NIR-II) light sources requires improved NIR-II phosphors. We present a series of phosphors codoped with Cr3+ and Ni2+ that possess NIR-II emission with an unprecedented internal quantum efficiency (IQE) of 97.4%. Our study reveals an energy transfer mechanism involving clusters of Cr3+ where luminescent centers...
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Natural Deep Eutectic Solvents as Agents for Improving Solubility, Stability and Delivery of Curcumin
PublicationPurpose Study on curcumin dissolved in natural deep eutectic solvents (NADES) was aimed at exploiting their beneficial properties as drug carriers. Methods The concentration of dissolved curcumin in NADES was measured. Simulated gastrointestinal fluids were used to determine the concentration of curcumin and quantum chemistry computations were performed for clarifying the origin of curcumin solubility enhancement in NADES. Results NADES...
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Unravelling the role of electron–hole pair spin in exciton dissociation in squaraine-based organic solar cells by magneto-photocurrent measurements
PublicationA high absorption coefficient and narrow absorption bands in squaraine (SQ) dyes have resulted in rapidly growing interest in them as a donor material in photovoltaic devices. The exciton dissociation process in organic systems proceeds via a multistep mechanism where the electron–hole pairs (charge transfer states) involved in the current generation process determine the recombination losses and subsequently limit the overall...
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Benchmarking Performance of a Hybrid Intel Xeon/Xeon Phi System for Parallel Computation of Similarity Measures Between Large Vectors
PublicationThe paper deals with parallelization of computing similarity measures between large vectors. Such computations are important components within many applications and consequently are of high importance. Rather than focusing on optimization of the algorithm itself, assuming specific measures, the paper assumes a general scheme for finding similarity measures for all pairs of vectors and investigates optimizations for scalability...
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The reliability of any-hop star networks with respect to failures of communication nodes.
PublicationThis paper investigated the reliability of any-hop star networks. The any-hop star topology is used in centralized computer networks. We will assume that the all nodes fail independently, links are failure-free. Following measures of network reliability are assumed: the expected number of nodes, which can communicate with the central node; the expected number of node pairs, which are connected by a path through the central node;...
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Development of the sound field 3D intensity probe based on miniature microphones
PublicationThe engineered measuring probe uses three pairs of miniature microphones coupled. The signals from the microphones after an initial amplification are fed to differential circuits. Due to the required symmetry of the circuit it was necessary to select electronic components very carefully. Moreover, additional digital signal processing techniques were applied to avoid amplitude and phase mismatch. The view of the engineered probe...
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Polish Adaptation of the Pregnancy-Related Anxiety Questionnaire—Revised 2 for All Pregnant Women
PublicationPregnancy-related anxiety (PrA) is a specific type of anxiety characteristic of the perinatal period. PrA can affect pregnancy and birth. However, no validated tool exists to measure PrA in Polish obstetric practice. The aim of this study was to translate the Pregnancy-Related Anxiety Questionnaire—Revised 2 (PRAQ-R2) into Polish and to evaluate its reliability and factorial and construct validity. This study was conducted in Poland...
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The luminescence study of Ga1.98–xAlxO3:0.02Cr3+ coumpounds.
Open Research DataA chemical and mechanical pressure-induced photoluminescence tuning method was developed through structural evolution and hydrostatic pressure involving phase transition. A series of Ga1.98−xAlxO3:0.02Cr3+ phosphors were synthesized by collaborators from National Taiwan University. Structural evolution reveals a crystal phase change with the incorporation...
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Evaluation of Wear Resistance of Ti alloys used for elements friction of knee endoprosthesis
PublicationThe paper presents research results of resistance to abrasive wear of titanium alloys: Ti6Al4V (commonly used) and Til3Nb13Zr (alloy of new generation) in association with polyethylene (UHMW-PE) predisposed for elements on pair of the knee endoprosthesis. The results were analysed from the point of possibility of an use of new generation titanium alloys as components of such implants. The tests of resistance to abrasive wear of...
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A fuzzy logic model for forecasting exchange rates
PublicationThis article is devoted to the issue of forecasting exchange rates. The objective of the conducted research is to develop a predictive model with the use of an innovative methodology - fuzzy logic theory - and to evaluate its effectiveness in times of prosperity and during the financial crisis. The model is based on sets of rules written by the author in the form of IF-THEN, where expert knowledge is stored. This model is the result...
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Differentiating patients with obstructive sleep apnea from healthy controls based on heart rate-blood pressure coupling quantified by entropy-based indices
PublicationWe introduce an entropy-based classification method for pairs of sequences (ECPS) for quantifying mutual dependencies in heart rate and beat-to-beat blood pressure recordings. The purpose of the method is to build a classifier for data in which each item consists of two intertwined data series taken for each subject. The method is based on ordinal patterns and uses entropy-like indices. Machine learning is used to select a subset...
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Genotoxicity of selected pharmaceuticals, their binary mixtures, and varying environmental conditions – study with human adenocarcinoma cancer HT29 cell line
PublicationPharmaceutical residues are present in the environment in mixtures and their adverse effects may also result from interactions that occur between compounds. Studies presented in this work focus on genotoxicity of pharmaceuticals from different therapeutic groups in mixtures and in individual solutions impacted with different environmental conditions assessed using comet assay (alkaline approach). Binary mixtures of pharmaceuticals...
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Parameter values for topological chaos in the reduced Chialvo model
Open Research DataThe following dataset is connected with a map-based neuron model introduced by D. Chialvo (Chaos, Solitons & Fractals, 5 (3-4) 1995). The reduced version of this model is a one dimensional discrete system which describes the evolution of the membrane voltage when the value of the second variable, the recovery variable, is fixed. We have recently...
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Vident-lab: a dataset for multi-task video processing of phantom dental scenes
Open Research DataWe introduce a new, asymmetrically annotated dataset of natural teeth in phantom scenes for multi-task video processing: restoration, teeth segmentation, and inter-frame homography estimation. Pairs of frames were acquired with a beam splitter. The dataset constitutes a low-quality frame, its high-quality counterpart, a teeth segmentation mask, and...
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Scheduling of identical jobs with bipartite incompatibility graphs on uniform machines. Computational experiments
PublicationWe consider the problem of scheduling unit-length jobs on three or four uniform parallel machines to minimize the schedule length or total completion time. We assume that the jobs are subject to some types of mutual exclusion constraints, modeled by a bipartite graph of a bounded degree. The edges of the graph correspond to the pairs of jobs that cannot be processed on the same machine. Although the problem is generally NP-hard,...
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Experimental certification of an informationally complete quantum measurement in a device-independent protocol
PublicationMinimal informationally complete positive operator-valued measures (MIC-POVMs) are special kinds of measurement in quantum theory in which the statistics of their d2-outcomes are enough to reconstruct any d-dimensional quantum state. For this reason, MIC-POVMs are referred to as standard measurements for quantum information.Here, we report an experiment with entangled photon pairs that certifies, for what we believe is the first...
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Self Portrait with a Mask
PublicationPaweł SASIN - Self Portrait with a Mask “Every work of art is the child of its time, and, in many cases, the mother of our emotions. “ Wassily Kandynsky, Concerning the Spiritual in Art The two years 2020 and 2021 were marked by the COVID-19 pandemic – a lengthy period of time in which everyone felt in danger of losing one’s health or life. As a result, many people were experiencing negative emotion, becoming subject to psychological...
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Structure elucidation of carbamoylo-β-lactam diastereoisomers by ROESY and NOESY experiments
PublicationRecently we have focused in the problem of preparation of carbamoylo-β-lactams as a result of oxidative cyclization of malonyl enamides. In our experiments we obtain mixture of two main β-lactam products: as a result of subsequent elimination and a second as a product of substitution. All of the produced β-lactams have trans configuration what was confirmed by 1H coupling constants. However id should be stressed that in the case...
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Exploring the cocrystallization potential of urea and benzamide
PublicationThe cocrystallization landscape of benzamide and urea interacting with aliphatic and aromatic carboxylic acids was studied both experimentally and theoretically. Ten new cocrystals of benzamide were synthesized using an oriented samples approach via a fast dropped evaporation technique. Information about types of known bi-component cocrystals augmented with knowledge of simple binary eutectic mixtures was used for the analysis...
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Minimal number of periodic points for smooth self-maps of simply-connected manifolds
Open Research DataThe problem of finding the minimal number of periodic points in a given class of self-maps of a space is one of the central questions in periodic point theory. We consider a closed smooth connected and simply-connected manifold of dimension at least 4 and its self-map f. The topological invariant D_r[f] is equal to the minimal number of r-periodic points...
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On modelling and non-linear elasto-plastic analysis of thin shells with deformable junctions
PublicationThe undeformed base surface of the irregular thin shell is modelled by the union of a finite number of regular smooth surface elements joined together along spatial curvilinear surface edges. The equilibrium conditions are formulated by postulating an appropriate form of the principle of virtual work, where also deformability of shell junctions is taken into account. The PVW is then discretised by C1 finite elements and the incremental-iterative...
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Tetracycline and ampicillin resistance of Escherichia coli strains of surface water origin: the potential for horizontal transfer of resistance genes = Oporność na tetracyklinę i ampicylinę szczepów Escherichia Coli wyizolowanych z wody powierzchniowej : możliwość horyzontalnego przenoszenia genów oporności
PublicationThe aim of this preliminary study was to assess the occurrence and molecular diversity of tetracycline and ampicillin resistance genes carried by Escherichia coli present in surface water. Bacterial strains were isolated from two watercourses (the Reda River and the Oliwski Stream) that influence the quality of coastal waters in the Gdańsk Bay (Northern Poland) by direct discharge. The bacterial drug susceptibility, tested against...
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The reliability of tree and star networks.
PublicationOne of the important parameters characterizing the quality of computer networks is the network's reliability with respect to failures of the communication links and nodes. This chapter investigated the reliability of tree and star networks. The tree and star topology is used in centralized computer networks. In centralized computer networks all communication must take place through some central computer. Following measures of network...