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Search results for: POTENTIAL OF MEAN FORCE
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Simulation of Force Spectroscopy Experiments on Galacturonic Acid Oligomers
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Visualization and characterization of prolamellar bodies with atomic force microscopy
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Application of dynamic impedance spectroscopy to atomic force microscopy
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Pounding force response spectrum under earthquake excitation
PublicationW artykule przedstawiono możliwość wykorzystania spektrum siły zderzenia jako zaproponowanego przez autora narzędzia pomocnego przy projektowaniu budynków narażonych na zderzenia podczas trzęsień ziemi. Przedstawione wykresy spektrów pokazały, iż właściwy dobór parametrów budowli, takich jak szerokość przerwy pomiędzy budynkami, okres drgań własnych konstrukcji, liczba tłumienia, masa, współczynnik ciągliwości, czy też przesunięcie...
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The protein folding problem: global optimization of force fields
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Application of dynamic impedance spectroscopy to atomic force microscopy
PublicationMikroskopia sił atomowych jest uniwersalną techniką obrazowania powierzchni podczas gdy spektroskopia impedancyjna jest fundamentalną metodą charakteryzowania właściwości elektrycznych materiałów. Z powyższego względu użyteczne jest połączenie powyższych technik dla uzyskania przestrzennego rozkładu wektora impedancji. W pracy autorzy proponują nowe podejście polegające na połączeniu multiczęstotliwościowego pomiaru impedancyjnego...
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Decomposition of the wall force acting on the single bubble motion.
PublicationW referacie skupiono uwagę na rozkładzie siły hydrodynamicznej działającej na kulę (uproszczony model pęcherzyka) na kierunku prostopadłym do ścianki kanału. Pokazano stanowisko badawcze, omówiono procedurę pomiarową oraz zamiszczono przykładowe wyniki badań eksperymentalnych i modelowania matematycznego.
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New potential functions for greedy independence and coloring
PublicationA potential function $f_G$ of a finite, simple and undirected graph $G=(V,E)$ is an arbitrary function $f_G : V(G) \rightarrow \mathbb{N}_0$ that assigns a nonnegative integer to every vertex of a graph $G$. In this paper we define the iterative process of computing the step potential function $q_G$ such that $q_G(v)\leq d_G(v)$ for all $v\in V(G)$. We use this function in the development of new Caro-Wei-type and Brooks-type...
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Determination of terpene profiles in potential superfruits
PublicationThe aim of this work was to characterize and compare the profiles of volatile terpenes in four potential superfruits. These profiles were determined using headspace solid-phase microextraction coupled with comprehensive two-dimensional gas chromatography linked to time-of-flight mass spectrometry. The proposed technique allowed the separation and identification of 79 terpenes present in cape gooseberry, crabapple, cherry silver...
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Detection and Imaging of Debonding in Adhesive Joints of Concrete Beams Strengthened with Steel Plates Using Guided Waves and Weighted Root Mean Square
PublicationStrengthening of engineering structures is an important issue, especially for elements subjected to variable loads. In the case of concrete beams or slabs, one of the most popular approaches assumes mounting an external reinforcement in the form of steel or composite elements by structural adhesives. A significant disadvantage of adhesive joints is the lack of access to the adhesive film for visual condition assessment, thus, there...
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Chemical recycling of plastic waste as a mean to implement the circular economy model in the European Union
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Mean annual and seasonal circulation patterns and long-term variability of currents in the Baltic Sea
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Reliability Testing of Wind Farm Devices Based on the Mean Time between Failures (MTBF)
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Do the New Requirements for the Use of Energy Efficient Lighting Design Mean the End of Creativity?,
PublicationThis paper addresses issues strongly connected to recent environmental discussions which are currently taking place in Europe, Asia, America, Australia and other parts of the world about global warming, the Greenhouse Effect, light pollution and other negative impacts artificial lighting has on our planet and what can be done about it. The author also attempts to answer indirectly two of the most important questions for lighting...
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The modal control vibration surveillance of manipulators as a mean of improving operating parameters of industrial robots.
PublicationNowe zastosowania robotów, a przede wszystkim - operacje szybkiego montażu, technika kosmiczna oraz operacje manipulacyjne dużymi masami (niekiedy przekraczającymi masę własną manipulatora), stawiają przed robotami coraz to większe wymagania dotyczące m.in. dużej dokładności i powtarzalności pozycjonowania. Spełnienie powyższych wymagań, bez redukcji poziomu drgań występujących w układzie nośnym manipulatora, jest trudne do uzyskania....
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The potential of web awareness as a determinant of dually defined customer value
PublicationIn the conditions of increasing demand barrier, the enterprise’s basic capital is customers. From an enterprise point of view, this means the need to create a dual perceived and defined customer value which remains related to market value (income and development potential) and customer resource value (reference, information and cooperative potential). The progressing digitisation process transfers business processes, and thus relationships, into...
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Extension of the force-matching method to coarse-grained models with axially symmetric sites to produce transferable force fields: Application to the UNRES model of proteins
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The regional energy transformation in the context of renewable energy sources potential
PublicationThe topics addressed in the article concern the problem of exploiting the potential of renewable energy sources (RES) at the regional level and the problem of the course of regional energy transition processes. Throughout the world, energy transition proceeds in a specific way for each country, due to the different potential of the selected RES and political, institutional and socio-economic conditions. Energy transition processes...
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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublicationWe report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s ^2S_{1/2}) + Rb(7s ^2S_{1/2}) atomic limit. Several new features...
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Personal Entrepreneurial Potential in the Opinion of Young Women Entering the Labor Market
PublicationIn the current economic situation in Europe the need to stimulate entrepreneurship, with the special attention to develop the entrepreneurship among women, is clearly emphasized. The action is mostly taken to encourage the use of internal potential of possible future entrepreneurs. Do we know what the potential really is ? The presented article deals with the issues of women's entrepreneurship, demonstrating results of self assessment...
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Potential Energy Curves of Diatomic Alkali Molecules Datasets
PublicationThe datasets described in this article contain potential energy curves for several diatomic systems. The data was obtained via high-performance computing using MOLPRO, a system of ab initio programs for advanced molecular electronic structure calculations. The datasets allow to model bond lengths, energy levels, spectra and time-evolution of molecular dimers for which the data are presented.
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Potential energy curves, transition and permanent dipole moments of KRb
PublicationWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
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Phospholipids as potential prevention factor in carcinogenesis
PublicationPhospholipids are a group of complex lipids, which can be used in cancer chemoprevention. Glicerophospholipids are composed of fatty acids esterified to a glycerol backbone, a phosphate group and a hydrophilic residue such as: cho- line, ethanoloamine, serine or inositol. In the sn-2 position of glicerophospholipid usually there are unsaturated fatty acids, i.e. linolenic acid, while in the sn-1 position more typi- cal are saturated...
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Numerical modeling of force and contact networks in fragmented sea ice
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Shape and force control of cable structures with minimal actuators and actuation
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Acoustic radiation force and streaming caused by non periodic acousticsource.
PublicationTeoria i obliczenia numeryczne przepływu rotacyjnego (''streamingu'') towarzyszącemu fali akustycznej w przepływach lepkich nieliniowych. Fala wywołująca może być nieokresowa: impulsowa lub paczka falowa itd. Przykład pojedynczego pulsu rozpatrywany. Ilustracje delikatnej struktury czasowej powstania fal rotacyjnych przedstawione na rysunkach.
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Measurement of transverse force with polarization-maintaining side-hole fibers.
PublicationW pracy badano możliwości wykorzystania przenoszących stan polaryzacji światłowodów typu Side-Hole do pomiaru siły działającej prostopadle do osi symetrii światłowodu. Na podstawie wyników modelowania stwierdzono, ze niektóre światłowody tego typu charakteryzują się większą czułością aniżeli standardowe światłowody przenoszące stan polaryzacji. W wyniku przeprowadzonych pomiarów potwierdzono wyniki modelowania.
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Simulations of impact force spectrum for earthquake-induced structural pounding.
PublicationCelem artykułu jest analiza możliwości zastosowanie tzw. spektrum siły zderzenia przy projektowaniu sąsiadujących ze sobą konstrukcji budowlanych na terenach sejsmicznych, w przypadku zbyt małej przerwy dylatacyjnej między nimi. W artykule przedstawiono wyniki symulacji numerycznych przeprowadzonych dla różnych wartości parametrów dynamicznych konstrukcji.
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Peak impact force for seismic retrofit of pounding-prone structures
PublicationCelem artykułu jest wykorzystanie dwuwymiarowych wykresów pokazujących wartość maksymalnej siły zderzenia (spektrów odpowiedzi) do wzmacniania odporności sejsmicznej budowli narażonych na zderzanie się podczas trzęsień ziemi. Wyniki analizy wskazują, iż wykresy takie mogą być bardzo przydatnym narzędziem przy podejmowaniu decyzji dotyczącej wyboru metody wzmacniania.
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Description of the thermodynamic properties of BiH 5 and BiH 6 superconductors beyond the mean-field approximation
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Mean Shift Segmentation Assessment for Individual Forest Tree Delineation from Airborne Lidar Data
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Does Mass Culture Mean a Crisis of Values? Dwight Macdonald's Position and the Issue of Its Topicality
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Does one currency mean one price? An analysis of the euro effect on price dispersion and convergence
PublicationThis paper examines price differentials in the European Union to investigate whether the European Monetary Union has lowered the degree of price dispersion in the euro zone and increased the speed of price convergence. Both euro effects are evaluated using difference-in-difference methodology. Applied to the issue of introducing a single currency, the euro effects identified are the estimated differences in price dispersion and...
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A unified coarse-grained model of biological macromolecules based on mean-field multipole–multipole interactions
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Sensing the onset of epoxy coating degradation with combined Raman spectroscopy/atomic force microscopy/electrochemical impedance spectroscopy
PublicationThe paper presents the results of investigation on epoxy resin durability upon 12-week exposure to UV radiation. The aim was early determination of the onset of epoxy degradation and for this purpose an epoxy film on steel substrate systems were periodically inspected using Raman spectroscopy, atomic force microscopy and electrochemical impedance spectroscopy. The behaviour of examined polymer could be divided into three periods: immunity,...
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Therapeutic Potential of Multifunctional Derivatives of Cholinesterase Inhibitors
PublicationThe aim of this work is review of tacrine analogues from the last three years, which were not included in the latest review work, donepezil and galantamine hybrids from 2015 and rivastigmine derivatives from 2014. In this account we summarize the efforts toward the development and characterization of non-toxic inhibitors of cholinesterases based on mentioned drugs with various interesting additional properties such as antioxidant,...
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Study of the Anti-Staphylococcal Potential of Honeys Produced in Northern Poland
PublicationThe antimicrobial activity of 144 samples of honeys including 95 products from apiaries located in Northern Poland was evaluated. The antibacterial activity of those natural products, their thermal stability, and activity in the presence of catalase was investigated by microdilution assays in titration plates. The MTT assay was performed for the determination of anti-biofilm activity. Spectrophotometric assays were used for the...
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The Anti-Staphylococcal Potential of Ethanolic Polish Propolis Extracts
PublicationAbstract: The principal objective of this study was to determine the anti-staphylococcal potential of ethanol extracts of propolis (EEPs). A total of 20 samples of propolis collected from apiaries located in different regions of Poland were used in the study. The two-fold broth microdilution method revealed some important differences in the antimicrobial activity of investigated EEPs. Up to the concentration of 4096 µg/mL no activity...
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Essential oils as potential anti-staphylococcal agents
PublicationAntibiotic therapy of staphylococcal mastitis is characterized by significantly lower cure rates compared to infections caused by other microorganisms. Thus, it is necessary to search for new, alternative, non-antibiotic agents that are effective in the eradication of these bacteria. The aim of our research was to investigate the antimicrobial, especially anti-staphylococcal potential of a large collection (n=36) of essential oils...
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The potential of urban agriculture in the revitalisation of a metropolis
PublicationIn Poland, the topic addressing urban areas of agricultural production and gardening activity is still viewed in two main blocks: 1) a shift of the urbanized zone’s boundaries, causing dispersion of suburban buildings as well as creates conflict zone between the residential area and the production and post-production zones; 2) a socially contentious issue of restructuring the inner-city complexes of former employee allotments....
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Damage detection in 3D printed plates using ultrasonic wave propagation supported with weighted root mean square calculation and wavefield curvature imaging
Publication3D printing (additive manufacturing, AM) is a promising approach to producing light and strong structures with many successful applications, e.g., in dentistry and orthopaedics. Many types of filaments differing in mechanical properties can be used to produce 3D printed structures, including polymers, metals or ceramics. Due to the simplicity of the manufacturing process, biodegradable polymers are widely used, e.g., polylactide (polylactide...
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Extremophile Deinococcus geothermalis as potential source of proteolytic enzymes
PublicationAmong many extremozymes, thermophilic enzymes have attracted most attention during the past four decades. Such enzymes are of considerable industrial and biotechnological interest due to the fact that the enzymes are better suited for harsh industrial processes. There are many advantages of conducting industrial processes at high temperature, such as the increased solubility of many polymeric substrates, resulting in decreased...
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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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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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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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Efficient sampling of high-energy states by machine learning force fields
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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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Simulation of Protein Structure and Dynamics with the Coarse-Grained UNRES Force Field
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Adjustment for shape restoration and force control of cable arch stayed bridges
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