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Search results for: POTENTIAL OF MEAN FORCE
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A Rapid and Simple Method for Screening Microorganisms with a Potential for Catechol Biodegradation
PublicationCatechol is a highly toxic compound that is also a key intermediate in biodegradation pathways of various aromatic compounds. In this paper, a new screening method for isolation of microorganisms with the potential for catechol biodegradation is reported. The method described is based on the ability of catechol to form a color complex with Fe3+ ions. For this purpose, basal medium that is widely used for classification of microorganisms...
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Minimum mean square error estimation of speech short-term predictor parameters under noisy conditions
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Efficient sampling of high-energy states by machine learning force fields
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Simulation of Protein Structure and Dynamics with the Coarse-Grained UNRES Force Field
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On the modelling of aerodynamic force coefficients for over-shroud seals of turbine stages
PublicationThis paper presents experimental investigations which made it possible to determine dynamic coefficients of labyrinth over-shroud seal of a model air turbine. The coefficients associate pressure forces with turbine rotor displacement, velocity and acceleration respective to turbine casing (linear model) and play important role in analyzing turbine-set dynamics. The obtained results indicated that involving serious errors can be...
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Adjustment for shape restoration and force control of cable arch stayed bridges
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An Approximate Linear Analysis of Structures Utilizing Incremental Loading of Force Method
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Impact force spectrum for damage assessment of earthquake-induced structural pounding
PublicationCelem artykułu jest zastosowanie spektrum siły zderzenia do szacowania zniszczeń powstałych na skutek zderzeń pomiędzy konstrukcjami budowlanymi, do których dochodzi podczas trzęsień ziemi. Wyniki analizy wskazują, iż spektrum takie może być przydatnym narzędziem przy projektowaniu konstrukcji podatnych na zderzenia. Przykłady spektrów odpowiedzi pokazują, iż zapewnienie odpowiedniej przerwy dylatacyjnej lub zgranie parametrów...
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The theoretical description of friction force in bio-joints as function of cartilage roughness
PublicationWartości sił tarcia w naturalnych stawach człowieka a szczególnie w endoprotezach stawu biodrowego rzutują na proces zużywania się powierzchni stawowych. Dlatego problem wyznaczania sił tarcia w biołożyskach jest bardzo istotny. W trakcie chodzenia mamy co najmniej ruch sferycznej powierzchni głowy w dwóch różnych kierunkach dla naturalnych i sztucznych stawów biodrowych człowieka. Dlatego też siły tarcia występują co najmniej...
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Mechanical Properties of Single-Walled Carbon Nanotubes with AIREBO Force-Filed
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Interatomic potential suitable for the modeling of penta-graphene: Molecular statics/molecular dynamics studies
PublicationWe test the potentials available for elemental carbon, with the scope to choose the potential suitable for the modeling of penta-graphene, the latest two dimensional carbon allotrope. By using molecular statics and molecular dynamics simulations we show that there is only one potential e namely the Tersoff-type potential proposed by Erhart and Albe in 2005 e which is able to correctly describe all the important features of penta-graphene....
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A review on electrospun membranes for potential air filtration application
PublicationAir pollution is one of the major environmental concerns in most highly populated cities, which is typically caused by particulate (PM2.5 and PM0.1) or gaseous pollutants that can be removed using electrospun membranes. These membranes are characterized by different features in terms of uniform and controllable structure, tuneable porosity, and high surface area, where their separation efficiency strongly depends on their properties....
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Plate heat exchanger with porous structure for potential use in ORC system
PublicationThe experimental analysis of passive heat transfer intensification in the case of plate heat exchanger has been carried out. The passive intensification was obtained by a modification of the heat transfer surface, which was covered by a metallic porous microlayer. The experiment was accomplished in two stages. In the first stage the commercial stainless steel gasketed plate heat exchanger was investigated, while in the second one...
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Plate heat exchanger with porous structure for potential use in ORC system
PublicationThe experimental analysis of passive heat transfer intensification in the case of plate heat exchanger has been carried out. The passive intensification was obtained by a modification of the heat transfer surface, which was covered by a metallic porous microlayer. The experiment was accomplished in two stages. In the first stage the commercial stainless steel gasketed plate heat exchanger was investigated, while in the second one...
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the ground state and three excited states of the symmetry singlet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Adiabatic potential energy curves of the singlet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry singlet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry triplet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi and Delta ungerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries triplet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Computer-Aided Calculations of Earth Potential Rise in High Voltage Overhead Lines
PublicationHigh voltage overhead power lines with earth wires comprise towers made of conductive material. Some towers are in locations where people can be expected to be either for a long time or for a short time but very frequently. Evaluation of shock hazard near such towers requires calculation of line-to-earth short-circuit current, earth current and especially earth potential rise. Number of towers in high voltage power lines can exceed...
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Unveiling the Pool of Metallophores in Native Environments and Correlation with Their Potential Producers
PublicationFor many organisms, metallophores are essential biogenic ligands that ensure metal scavenging and acquisition from their environment. Their identification is challenging in highly organic matter rich environments like peatlands due to low solubilization and metal scarcity and high matrix complexity. In contrast to common approaches based on sample modification by spiking of metal isotope tags, we have developed a two-dimensional...
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Dimethyl ether (DME) as potential environmental friendly fuel
PublicationIn recent years, there has been a growing interest in replacing petroleum fuels with so-called second generation environmental friendly fuels. Compared to traditional petroleum fuels dimethyl ether (DME) could be used as a clean high-efficiency compression ignition fuel with reduced particulate matter (PM), sulfur oxides (SOx), hydrocarbons (HC), carbon monoxide (CO) as well as combustion noise. Compared to some of the other leading...
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Whole-genome sequencing and antimicrobial potential of bacteria isolated from Polish honey
PublicationThe aim of this study was the whole-genome analysis and assessment of the antimicrobial potential of bacterial isolates from honey harvested in one geographical location—the north of Poland. In total, 132 strains were derived from three honey samples, and the antimicrobial activity of CFAM (cell-free after-culture medium) was used as a criterion for strain selection and detailed genomic investigation. Two of the tested isolates...
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Hydrogen Storage in Geological Formations—The Potential of Salt Caverns
PublicationHydrogen-based technologies are among the most promising solutions to fulfill the ze- ro-emission scenario and ensure the energy independence of many countries. Hydrogen is considered a green energy carrier, which can be utilized in the energy, transport, and chemical sectors. However, efficient and safe large-scale hydrogen storage is still challenging. The most frequently used hydrogen storage solutions in industry, i.e., compression...
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Assessment of the mean time in the therapeutic INR range and the SAME-TT2R2 score in patients with atrial fibrillation and cognitive impairment
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Temperature, velocity and mean turbulence structure in strongly heated internal gas flows. Comparison of numerical predictions with data
PublicationW pracy przedstawiono symulacje numeryczne przy użyciu szeregu modeli turbulencji celem analizy silnie ogrzewanego przepływu powietrza w pionowych rurach. Obliczenia porównano z danymi eksperymentalnymi. Analizowano modyfikacje pola prędkości, temperatury i turbulencji. W rozpatrywanych warunkach odnotowano silną wrażliwość obliczeń na silnie zmieniające się pole temperatury. Stwierdzono, że analizowane przypadki najlepiej odzwierciedla...
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The potential of Web-GIS and geovisual analytics in the context of marine cadastre
PublicationThe importance of the marine environment to human existence makes it imperative that information models represent the multidimensional nature of reality as closely as possible in order to facilitate good governance. Information regarding jurisdiction, as well as the effects of formal law and community interests on the marine environment (e.g. nature and spatial extents as well as rights, responsibilities, restrictions etc.) would...
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Peptidoglycan hydrolases - potential weapons against Staphylococcus aureus
PublicationBacteria of the genus Staphylococcus are common pathogens responsible for a broad spectrum of human and animal infections and belong to most important etiological factors causing food poisoning. Because of rapid increase in prevalence of isolation of staphylococci resistant to many antibiotics, there is an urgent need for development of new alternative chemotherapeutics. A number of studies have recently demonstrated the strong...
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Prediction of Protein Structure by Template-Based Modeling Combined with the UNRES Force Field
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Investigation of Protein Folding by Coarse-Grained Molecular Dynamics with the UNRES Force Field
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Lessons from application of the UNRES force field to predictions of structures of CASP10 targets
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Performance of protein-structure predictions with the physics-based UNRES force field in CASP11
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Extension of the UNRES Coarse-Grained Force Field to Membrane Proteins in the Lipid Bilayer
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Comparison of numerical models of impact force for simulation of earthquake-induced structural pounding
PublicationW artykule przedstawiono porównanie trzech modeli numerycznych służących do symulacji siły zderzenia w czasie kontaktu pomiędzy konstrukcjami budowlanymi podczas trzęsień ziemi. Efektywność każdego z modeli zbadano porównując wyniki analiz numerycznych z wynikami badań eksperymentalnych. Wyniki pracy pokazują, iż nieliniowy model lepkosprężysty najdokładniej symuluje przebieg czasowy siły zderzenia w czasie kontaktu.
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Reconstruction of dopant vertical position from Kelvin probe force microscope images
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Is the growing wealth the driving force for venture capital fundraising in Europe? An empirical analysis
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Hybrid Numerical-Analytical Approach for Force Prediction in End Milling of 42CrMo4 Steel
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Surface texture generation during cylindrical milling in the aspect of cutting force variations
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Driving force of acoustic streaming caused by aperiodic sound beamin unbounded volumes
PublicationRównanie dynamiczne kierujące lokalnej w czasie siłą radiacyjną ruchu wirowego wyprowadzono. Stwierdzono, iż zawiera ona trzy części: jedna stanowi wzór klasyczny, druga daje zero po uśrednieniu względem okresu fali akustycznej, lecz różni się od zera dla nieokresowego dźwięku. Trzecia składowa związana jest z małymi dyfrakcyjnymi efektami, zachodzącymi podczas propagacji wiązki. Przejście do wzoru klasycznego w przypadku źródła...
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Application of polarisation-maintaining side-hole fibres do direct force measurement
PublicationW pracy przedstawiono zastosowanie utrzymujących polaryzację światłowodów typu Side Hole do bezpośredniego pomiaru siły. Dla wybranych struktur tych światłowodów wyznaczono, przy pomocy Metody Elementów Skończonych i metody modów sprzężonych, czułość na siłę działającą prostopadle do osi symetrii światłowodu. Określono zależność tej czułości od poszczególnych wymiarów struktur tych światłowodów. Następnie, biorąc pod...
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DEM-FEM model of highly saturated soil motion due to seepage force
PublicationArtykuł poświęcono nowej propozycji rozwiązania problemu modelowania zjawiska transportu, które występuje wewnątrz wysoko-nawodnionego gruntu ziarnistego na skutek ciśnienia spływowego. Teoria oparta została na połączeniu metody elementów skończonych (FEM - Finite Element Method) - rozwiązania równań poro-elastycznych oraz metody poszczególnych elementów (DEM - Distinct Element Method), które dały podwójny model numeryczny. FEM...
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Probiotic potential of Bacillus Isolates from Polish Bee Pollen and Bee Bread
PublicationThe main goal of this study was the evaluation of the probiotic potential of 10 Bacillus spp. strains isolated from 5 bee bread and 3 bee pollen samples. The antagonistic interaction with Staphylococcus aureus and Escherichia coli was a primary criterion for the preliminary selection of the isolates. Three out of ten strains—PY2.3 (isolated from pollen), BP20.15 and BB10.1 (both isolated from bee bread)—were found to be possible...
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Potential Impact of Waterway Development on Cultural Landscape Values: The Case of the Lower Vistula
PublicationThe northern (“lower”) section of the Vistula is on the route of two international waterways—E70 and E40. However, the current condition of the riverbed prevents larger vessels from passing through. Plans for the waterway date back to the beginning of the 20th century. Following Poland’s ratification of the European Agreement on Main Inland Waterways of International Importance in 2017, the general concept has been transformed...
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Assessment of the Current Potential of Hydropower for Water Damming in Poland in the Context of Energy Transformation
PublicationThe present paper indicates that hydropower, including small hydropower plants (SHPs), may play a very important role in Poland’s energy transformation in the near future. The development of SHPs may also increase water resources in the steppe Poland. Additionally, the aim of the present research is to conduct the PEST analysis of SHPs in Poland, taking into account the SHP potential. For the first time, maps showing the power...
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Can bottom sediments be a prospective fertilizing material? A chemical composition analysis for potential reuse in agriculture.
PublicationEvery year huge amounts of bottom sediments are extracted worldwide, which need to be dis-posed. The recycling of bottom sediments for soil fertilization is in line with the long-promoted circular economy policy and enables the use of micro and macronutrients accumulated in sedi-ments for soil fertilization. When considering potential agricultural reuse of the dredge sediments, the first necessary step should be to analyze whether...