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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublicationThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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TEST FOR ASSESSING THE ENERGY EFFICIENCY OF VEHICLES WITH INTERNAL COMBUSTION ENGINES
PublicationThe most popular method for assessing the energy efficiency of vehicles is to compare the fuel consumption achieved in the conditions of selected approval test. Operating conditions are defined using the speed profiles, usually for only two categories: urban and extra-urban driving. Assessing the energy efficiency of vehicles should be performed using a more detailed classification of conditions. Presented results of comparison...
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Earthquake-Induced Structural Pounding
PublicationEarthquake-induced structural pounding between insufficiently separated build-ings, or bridge segments, has been repeatedly observed during ground motions. The reports after earthquakes indicate that it may lead to some local damage in the case of moderate seismic events or may result in considerable destruction or even collapse of colliding structures during severe ground motions. Pounding in build-ings is usually caused by the...
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In-situ and ex-situ resistance measurements of polypyrrole film using double-band electrode
PublicationMany in-situ techniques are performed in order to determine the resistance of conducting polymer film. However, the resistance measured in solution can be the combination of polymer resistance and that of other components, such as resistance of supporting electrolyte. Therefore, in this work, the influence of the solution on the resistance of polypyrrole (PPy) film has been studied. PPy film was electrchemically synthesized onto...
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Qualitative characteristics and comparison of volatile fraction of vodkas made from different botanical materials by comprehensive two-dimensional gas chromatography and the electronic nose based on the technology of ultra-fast gas chromatography
PublicationBACKGROUND Vodka is a spirit-based beverage made from ethyl alcohol of agricultural origin. At present, increasingly more vodka brands have labels that specify the botanical origin of the product. Until now, the techniques for distinguishing between vodkas of different botanical origin have been costly, time-consuming and insufficient for making a distinction between vodka produced from similar raw materials. Therefore, it is...
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Sensory Characteristics of Tonic Waters with Various Sweetening Substances vs Young Consumers' Opinion
PublicationThe attitude of young consumers towards food products containing low calorie sweeteners was analyzed as well as consumers’ awareness to the medical recommendations regarding artificial sweeteners. The questionnaire was carried out within the group of 97 respondents at the age of 21 – 30. Strongly negative attitude towards consumption of food products containing low calorie sweeteners was declared by almost half of respondents....
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Performance Analysis of Multicast Video Streaming in IEEE 802.11 b/g/n Testbed Environment
PublicationThe aim of the work is to analyse capabilities and limitations of different IEEE 802.11 technologies (IEEE 802.11 b/g/n), utilized for both multicast and unicast video streaming transmissions directed to mobile devices. Our preliminary research showed that results obtained with currently popular simulation tools can be drastically different than these possible in real-world environment, so, in order to correctly evaluate performance...
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Theoretical and experimental study on scattering of low-energy electrons by dimethyl and diethyl ethers
PublicationWe report a joint theoretical and experimental investigation on low-energy electron scattering by dimethyl and diethyl ethers. The experimental elastic differential cross sections were measured at impact energies from 1 eV up to 30 eV and scattering angle range of 10◦ to 130◦. Theoretical elastic differential, integral and momentum-transfer cross sections are calculated at impact energies up to 30 eV, employing the Schwinger multichannel...
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Numerical evaluation of dynamic response of an experimentally tested base-isolated and fixed-base steel structure model
PublicationSeismic isolation is recognized as one of the most popular and effective methods of protecting structures during earthquake. The present paper is focused on the comparison be-tween the dynamic responses of buildings with fixed and isolated bases exposed to seismic exci-tations. The aim of the study is to investigate the effectiveness of a simplified base isolation numerical modelling technique using the linear springs. One-storey...
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The Way One Defines Specification Matters: On the Performance Criteria for Efficient Antenna Optimization in Aggregated Bi-Objective Setups
PublicationDesign of antenna structures for real-world applications is a challenging task that often involves addressing multiple design requirements at a time. Popular solution approaches to this class of problems include utilization of composite objectives. Although configuration of such functions has a significant effect on the cost and performance of the optimization, their specific structure is normally determined based on engineering...
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Numerical analysis of the ostiomeatal complex aeration using the CFD method
PublicationWe aimed to analyse ostiomeatal complex (OMC) aeration using the computational fluid dynamics (CFD) method of simulation based on human craniofacial computed tomography (CT) scans. The analysis was based on CT images of 2 patients: one with normal nose anatomy and one with nasal septal deviation (NSD). The Reynolds-Average Simulation approach and turbulence model based on linear eddy viscosity supplemented with the two-equation...
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Self-Perceived Personal Brand Equity of Knowledge Workers by Gender in Light of Knowledge-Driven Organizational Culture: Evidence From Poland and the United States
PublicationThis study contributes to the limited literature on the personal branding of knowledge workers by revealing that a culture that incorporates knowledge, learning, and collaboration supports (explicit and tacit) knowledge sharing among employees and that sharing matters for knowledge workers’ self-perceived personal brand equity. Analysis of 2,168 cases from the United States and Poland using structural equation modeling (SEM) showed...
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Why Are Left-Handed G-Quadruplexes Scarce?
PublicationG-quadruplexes (G4s) are nucleic acid structures crucial for the regulation of gene expression and genome maintenance. While they hold promise as nanodevice components, achieving desired G4 folds requires understanding the interplay between stability and structural properties, like helicity. Although right-handed G4 structures dominate the experimental data, the molecular basis for this preference over left-handed helicity is unclear....
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It is not OK but it works – unproductive entrepreneurship, the case of Poland
PublicationThe concept of unproductive entrepreneurs was introduced to science by Baumol, who pointed out the differences in business output between countries. Unproductive behaviour of entrepreneurs is often a consequence of ineffective institutions used by entrepreneurs for rent seeking. The aim of this article is to examine subjective norms (S.N.) and attitudes regarding specified types of unproductive entrepreneurship, which in many cases...
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Fracture surface formation of notched 2017A-T4 aluminium alloy under bending fatigue
PublicationThe effect of cyclic loading on facture surface topology in notched components made by aluminium alloys is not completely clear. Fractogra-phy and fracture mechanics can help to understand this interdependency. This paper aims to study the distribution of the fracture surface roughness of notched 2017A-T4 aluminium alloy after bending fatigue using an optical focus-variation surface measurement technique by applying the fracture...
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Comparative wear test of journal sliding bearings with sintered bronze and Babbitt alloy bushes lubricated by environmentally acceptable/adapted lubricants (EAL)
PublicationA growing awareness of the negative effects of mineral oils on the natural environment has resulted in the introduction of new regulations related to environmental protection. One of these regulations requires the use of environmentally acceptable/adapted lubricants (EAL) to lubricate marine main shaft bearings, in place of the mineral lubricating oils that have been used for decades. Classification Societies, which supervise...
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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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Analysis of surface roughness of chemically impregnated Scots pine processed using frame-sawing machine
PublicationThe objective of this work was to evaluate the effect of the impregnation process of pine wood (Pinus sylvestris L.) on roughness parameters of the surface processed on a frame sawing. The samples weredried and impregnated using a commercial procedure by a local company. The touch method withthe use of measuring stylus (pin) was employed to determine of surface roughness of the samplesconsidering parameters, namely, arithmetical...
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Rheological properties, oxidative and thermal stability, and potential application of biopolyols prepared via two-step process from crude glycerol
PublicationIn this work, previously synthesized biopolyols were analyzed in terms of their rheological and thermal properties, very important from the technological point of view. For better evaluation of performed synthesis, the influence of its time and temperature on the properties of biopolyols was determined. In the end, obtained materials were used to prepare rigid polyurethane-polyisocyanurate (PUR-PIR) foams, to evaluate their potential...
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Are the short cationic lipopeptides bacterial membrane disruptors? Structure-Activity Relationship and molecular dynamic evaluation
PublicationShort cationic lipopeptides are amphiphilic molecules that exhibit antimicrobial activity mainly against Grampositives. These compounds bind to bacterial membranes and disrupt their integrity. Here we examine the structure-activity relation (SAR) of lysine-based lipopeptides, with a prospect to rationally design more active compounds. The presented study aims to explain how antimicrobial activity of lipopeptides is affected by...
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The impact of drying and steaming processes on surface color changes of tension ad normal beech wood
PublicationThe aim of the article is to present the influence of high temperature to selected properties of beech wood (Fagus sylvatica L.). The properties such as moisture content, color changes and longitudinal warping were analyzed. The quality of beech wood is determined based on structure and properties of wood, frequency of defects in wood material. The tension wood is considered as an important wood defect causing negative alterations...
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Using terrestrial laser scanning in inventorying of a hybrid constructed wetland system
PublicationThe goal of this paper was to evaluate the possibility of using terrestrial laser scanning (TLS) for inventorying of a hybrid constructed wetland (CW) wastewater treatment plant. The object under study was a turtle-shaped system built in 2015 in Eastern Poland. Its main purpose is the treatment of wastewater from theMuseumand Education Centre of Polesie National Park. The study showed that the CW system had been built in compliance...
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Results of the application of tropospheric corrections from different troposphere models for precise GPS rapid static positioning
PublicationIn many surveying applications, determination of accurate heights is of significant interest. The delay caused by the neutral atmosphere is one of the main factors limiting the accuracy of GPS positioning and affecting mainly the height coordinate component rather than horizontal ones. Estimation of the zenith total delay is a commonly used technique for accounting for the tropospheric delay in static positioning. However, in the...
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Local Nusselt number evaluation in the case of jet impingement
PublicationJet impingement still is one of demanding cases regarding computational fluid dynamics, due to its highly turbulent behaviour, with occurrence of turbulent-laminar transition. Even recently developed methods exhibit some drawbacks – RANS based simulations lack accuracy, LES and DNS based ones require too much computational time. Hybrid methods also exist, but their development and validation is in progress. Nevertheless, CFD application...
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On the Correlation of Lignocellulosic Filler Composition with the Performance Properties of Poly(ε-Caprolactone) Based Biocomposites
PublicationIn this work, three types of agricultural waste: olive stones (OS), date seed (DS) and wheat bran (WB) were applied as potential lignocellulosic fillers in poly(ε-caprolactone) (PCL) based biocomposites. Differences in composites’ performance were related to the higher content of proteins, noted for WB comparing to other fillers applied, which enhanced plasticization of PCL matrix. The mechanical properties of biocomposites were...
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The usefulness of birch saps from the area of Podkarpacie to produce birch syrup
PublicationIn northern European countries, as well as in North America tree saps of maples and birches are used for the production of syrups. Birch syrups are characterized by a specific aromatic taste and can be used as an addition to sweets, desserts, salads and meats. Attention is paid to the health benefits of birch syrups, mainly for high mineral content. The aim of this study was to evaluate the usefulness of birch saps obtained from...
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Thermophysical study of the binary mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide – Experimental and theoretical approach
PublicationDensities at (293.15, 298.15, 303.15 and 308.15) K, and viscosities and ultrasonic velocities at 298.15 K of binary liquid mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide have been measured over the entire range of composition at p = 0.1 MPa. From the experimental data, values of excess molar volume, excess isentropic compressibility, viscosity deviation and excess Gibbs energy...
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Bioelectronic nose: Current status and perspectives
PublicationA characteristic feature of human and animal organs of smell is the ability to identify hundreds of thousands of odours. It is accompanied by particular smell sensations, which are a basic source of information about odour mixture. The main structural elements of biological smell systems are the olfactory receptors. Small differences in a structure of odorous molecules (odorants) can lead to significant change of odour, which is...
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Configurations of H 3 + (H2)n clusters and their energies
PublicationThe H-3(+) ion plays an important role in low temperature astrophysical and laboratory plasmas. It is considered as the initiator of many ion-molecule chemistries. Also its clusters with H-2 are quite interesting. We study configurations of the H-3(+)(H-2)(n) clusters for n = 1 up to n = 12 as a simple test system. Total energies for these structures, with zero point vibration corrections have been calculated. Stabilization energies...
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The accuracy of alternative stock valuation methods – the case of the Warsaw Stock Exchange
PublicationThe main aim of this article is to examine the accuracy of different methods of share valuation used by Polish analysts in reports prepared in order to issue recommendations for companies listed on the Warsaw Stock Exchange. In the literature on the subject, the view which prevails is that the more sophisticated methods, i.e. those taking into account the discounting process, are characterised by higher valuation accuracy. However,...
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Anticarcinogenic and antioxidant activities of leaves and flowers hydroalcoholic extracts of Nerium oleander L.: PCA analysis and phytochemical content by FTIR spectroscopy
PublicationAims: The aim of this work is the evaluation the anticarcinogenic effect on HT29 cancer cells lines and antioxidant effect of three extracts from different morphological parts (leaves (LE), pink flowers (PFE) and white flowers (WFE)) of Nerium oleander lin. Methods: This research provides the anticarcinogenic activity of extracts from N. oleander white flowers. Principal Component Analysis (PCA) was applied to estimate the relationship...
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Gas selectivity enhancement by sampling-and-hold method in resistive gas sensors
PublicationCommercial resistive gas sensors exhibit various sensitivity to numerous gases when working at different elevated temperatures. That effect is due to a change in velocity of adsorption and desorption processes which can be modulated by temperature. Thus, to reach better selectivity of gas detection, we propose to apply a known method (called the sampling-and-hold method) of cooling down the gas sensor in the presence of the investigated...
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The impact of the AC922 Architecture on Performance of Deep Neural Network Training
PublicationPractical deep learning applications require more and more computing power. New computing architectures emerge, specifically designed for the artificial intelligence applications, including the IBM Power System AC922. In this paper we confront an AC922 (8335-GTG) server equipped with 4 NVIDIA Volta V100 GPUs with selected deep neural network training applications, including four convolutional and one recurrent model. We report...
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Tuning the work function of graphite nanoparticles via edge termination
PublicationGraphite nanoparticles are important in energy materials applications such as lithium-ion batteries (LIBs), supercapacitors and as catalyst supports. Tuning the work function of the nanoparticles allows local control of lithiation behaviour in LIBs, and the potential of zero charge of electrocatalysts and supercapacitors. Using large scale density functional theory (DFT) calculations, we find that the surface termination of multilayer...
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Kinematyczne pomiary GNSS na linii kolei wąskotorowej w Koszalinie
PublicationW artykule opisano metodę kinematycznych pomiarów geodezyjnych GNSS zastosowaną dla inwentaryzacji trasy kolejowej w terenie silnie zalesionym. W badaniach wskazano możliwości wykorzystania tej metody dla inwentaryzacji układu geometrycznego trasy kolei wąskotorowej w Koszalinie. Opisano najważniejsze różnice pomiędzy koleją o rozstawie szyn 1000 mm a 1435 mm oraz przyszłościowe zagadnienie planowanej rewitalizacji tego odcinka....
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Koncepcja społecznej odpowiedzialności biznesu w usługach ubezpieczeniowych
PublicationCelem artykułu jest przedstawienie koncepcji społecznej odpowiedzialności biznesu (CSR) w usługach ubezpieczeniowych. Zidentyfikowano w tym celu podstawowe oczekiwania interesariuszy oraz najważniejsze obszary zastosowania CSR w instytucjach ubezpieczeniowych. Zaprezentowano również podstawowy związek pomiędzy działaniami społecznie odpowiedzialnymi realizowanymi przez instytucje ubezpieczeniowe a ich wizerunkiem. Na podstawie...
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Kształtowanie wartości wskaźników płynności finansowej przez przedsiębiorstwa z sektora MSP w zależności od osiąganej rentowności aktywów
PublicationW artykule przedstawiono różnice w sposobie kształtowania wartości wskaźników z obszaru płynności finansowej pomiędzy przedsiębiorstwami z sektora MSP w zależności od osiąganego przez nie poziomu rentowności aktywów. W trakcie przeprowadzonych badań uwzględniono 109 174 sprawozdania finansowe przedsiębiorstw, prowadzących działalność gospodarczą w 27 różnych działach gospodarki narodowej. Do potwierdzenia zróżnicowania płynności...
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Evaluating Pornography Problems Due to Moral Incongruence Model
PublicationIntroduction To date, multiple models of problematic pornography use have been proposed, but attempts to validate them have been scarce. Aim In our study, we aimed to evaluate the Pornography Problems due to Moral Incongruence model proposing that self-appraisals of pornography addiction stem from (i) general dysregulation, (ii) habits of use, and (iii) moral incongruence between internalized norms and behavior. We investigated...
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EXPERIMENTAL ANALYSIS OF RUBBER AND STYROFOAM BUMPERS INFLUENCE ON THE COLLIDING STRUCTURES
PublicationPast and recent investigations of colliding structures under seismic excitation confirmed that pounding may have a significant influence on the structural response. Interactions between adjacent buildings may cause serious damage to the structures, leading even to its total collapse. The main reason of earthquake-induced pounding, besides insufficient distance between structures, are differences in stiffness or mass of colliding structures....
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Explanation of Reduction of Pressure Forces in Turbine Chamber Seals
PublicationThe paper describes a chamber seal reducing the aerodynamic forces created in shroud seals. Asymmetrical pressure distribution (due to rotor-stator eccentricity) in the blade tip clearance leads to the creation of pressure forces acting on the blade shroud. By increasing the volume above the shroud, the pressure distribution becomes more uniform on the whole shroud circumference and the effect of rotor eccentricity is reduced....
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Deposition and characterization of organic polymer thin films using a dielectric barrier discharge with different C2Hm/N2 (m = 2, 4, 6) gas mixtures
PublicationOrganic polymer thin films have been deposited on Si(100) and aluminum coated glass substrates by a dielectric barrier discharge (DBD) operated at medium pressure using different C2Hm/N2 (m = 2, 4, 6) gas mixtures. The deposited films were characterized by various spectroscopic techniques. Fourier transform infrared reflection absorption spectroscopy (FT-IRRAS) revealed the chemical functional groups present in the films. The surface...
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Modulation of carcinogen metabolizing cytochromes p450 in rat liver and kidney by cabbage and sauerkraut juices: comparison with the effects of indole-3-carbinol and phenethyl isothiocyanate
PublicationThis study investigated the effect of raw cabbage and sauerkraut juices on the activity and expression of CYP1A1, 1A2, 1B1 and 2B in Wistar rat liver and kidney. The results were compared with those of two commercially available products of glucosinolates degradation: indole-3-carbinol (I3C) and phenethyl isothiocyanate (PEITC). Significant differences in the effect of the cabbage juices as well as I3C and PEITC between the liver...
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Novel methods for diagnosis of pulmonary microangiopathy in diabetes mellitus
PublicationLung microangiopathy is a little known negative influence of diabetes mellitus on the functioning of the lungs. In current medical practice lung microangiopathy is diagnosed by comparing two measurements of lung diffusing capacity - one with the subject standing and one with the subject lying. The necessity to take two measurements is inconvenient. In lung microangiopathy we observe a reduction of diffusing capacity, lung flow...
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Mercury concentrations in marine biota with special focus on grey and ringed seals
PublicationMarine organisms are exposed and sensitive to effects of environmental contamination by heavy metals including different forms of mercury. Baltic seals as the top predators of the marine ecosystem are even more endangered due to (considerable) longevity as well as a long biological half-time of toxin elimination. The concentrations of mercury in seals from the Baltic is poorly known, thus the aim of this work is to determine and...
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Processing data on sea bottom structure obtained by means of the parametric sounding
PublicationThe aim of the paper is to analyze data obtain during sounding of the Gdansk Bay by means of the parametric sonar. The accuracy of the sea bottom structure investigation needs the correct configuration of research equipment and the proper calibration of peripheral devices (GPS, heading sensor, motion sensor MRU-Z and navigation units) which provide necessary data to bathymetrical measurement system enabling its work with whole...
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Earthquake-Induced Pounding Between Asymmetric Steel Buildings
PublicationEarthquake-induced pounding between buildings has been the subject of numerous numerical and experimental studies in the resent years. The phenomenon may cause severe damage to structural elements as well as may also lead to the total collapse of colliding structures. A major reason leading to pounding between adjacent, insufficiently separated buildings results from the differences in their dynamic properties. The aim of this...
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Electrochemical synthesis and characterization of nanocomposites based on poly(3,4-ethylenedioxythiophene) and functionalized carbon nanotubes
PublicationThis work is focused on new composite materials consisting of poly(3,4-ethylenedioxythiophene) (pEDOT) and functionalized multi-walled carbon nanotubes synthesized electrochemically. Three types of composites were synthesized: the first one containing carbon nanotubes with carboxyl groups (covalent functionalization), the second one containing oxidized carbon nanotubes ox-MWCNTs (with different oxygen-rich polar groups) (covalent...
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Compliance tests of the polymer layers used as hydrodynamic bearing coatings
PublicationOperational experience and scientific investigations results showed that polymer lined hydrodynamic bearings can withstand more severe operating conditions compared than white metal bearings. PTFE and PEEK-based coatings are the most frequently used as Babbitt alternatives. Both polymers differ significantly from the each other in material properties. According to catalogue data compression modulus of PTFE, it is about an order...
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Body surface area formulae: an alarming ambiguity
PublicationBody surface area (BSA) plays a key role in several medical fields, including cancer chemotherapy, transplantology, burn treatment and toxicology. BSA is often a major factor in the determination of the course of treatment and drug dosage. A series of formulae to simplify the process have been developed. Because easy-to-identify, yet general, body coefficient results of those formulae vary considerably, the question arises as to...
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Stabilization of N-, N,N-, N,N'-Methylated and Unsubstituted Simple Amidine Salts by Multifurcated Hydrogen Bonds
PublicationIn the light of the usefulness of amidines in medicinal chem., this paper considers the effects on biol. properties and chem. reactivities of org. mols. affected by intramol. interactions. The study of chem. shifts has been an important source of information on the electronic structure of amidine salts and their ability to form non-covalent bonds with nucleic acids. The NMR and IR results demonstrate that hydrogen bonds are...