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Wyniki wyszukiwania dla: ADME/TOX CALCULATIONS
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Verification of Selected Calculation Methods Regarding Shear Strength in Reinforced and Prestressed Concrete Beams
PublikacjaThe purpose of this article was an attempt to compare selected calculation methods regarding shear strength in reinforced and prestressed concrete beams. Several calculation methods were tested. This included codes: PN-EN 1992-1-1:2008 [1], ACI 318- 14 [2] and fib Model Code for Concrete Structures 2010 [3]. The analysis also consists of methods published in technical literature. Calculations of shear strengths were made based...
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HIGH TEMPERATURE HEAT PUMPS – PERSPECTIVE HEATING SYSTEMS?
PublikacjaIn the paper presented are authors own concepts of high temperature compressor heat pumps for the utilisation of medium and low temperature sources of heat. Working fluids for use in high temperature heat pumps are discussed, as well as the criteria for their selection. Analyses are presented for the production of in the upper steam source at 130 °C. One-stage systems and cascade systems were analyzed. An analysis of the coefficient...
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Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms
PublikacjaThe multi-mode multi-state vibronic interactions in the set of X^2B_1 - D^2A_1 electronic states of the monofluoro benzene radical cation are investigated theoretically, based on a quadratic vibronic coupling approach. The underlying ionization potentials and coupling constants are obtained from ab initio coupled-cluster calculations. Previous investigations (relying on the linear coupling approach) are extended by including all...
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A simplified energy dissipation based model of heat transfer for post-dryout flow boiling
Publikacjamodel for post dryout mist flow heat transfer is presented based on considerations of energy dissipation in the flow. The model is an extension of authors own model developed earlier for saturated and subcooled flow boiling. In the former version of the model the heat transfer coefficient for the liquid singlephase convection as a reference was used, due to the lack of the appropriate model for heat transfer coefficient for the...
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Assessing groundwater vulnerability to pollution in the Puck region (denudation moraine upland) using vertical seepage method
PublikacjaDegradation of groundwater quality can cause a serious water supply and environmental problems. The identify of potential groundwater pollution can be determined by assessment of groundwater vulnerability method. The assessment of groundwater vulnerability to pollution was based on estimation of migration time of potential conservative contamination through the vadose zone. Area of investigation is a type of denudation moraine...
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublikacjaThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
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Local electrochemical impedance spectroscopy in dynamic mode of galvanic coupling
PublikacjaA novel method that combines local electrochemical impedance spectroscopy and mapping in dynamicmode is proposed. Method was validated over two galvanic couplings, namely zinc/copper and cad-mium/copper. Impedance spectrum response for all measuring points was obtained by means ofsimultaneous implementation of selected range of frequencies. Proposed method allows the measure-ment in a more time-efficient manner, at the same time...
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Aqueous solutions of NMA, Na2HPO4 , and NaH2PO4 as models for interaction studies in phosphate–protein systems
PublikacjaPhosphate buffers are essential for many areas of studies. However, their influence on buffered systems is often ignored. The phosphate salts can interact with biologically important macromolecules (e.g. proteins) and stabilize or destabilize them. With our research, we want to answer question what kind of interactions, if any, occur between phosphate ions and a protein backbone model — N-methylacetamide (NMA). ATR-FTIR spectroscopy...
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Au–Si plasmonic platforms: synthesis, structure and FDTD simulations
PublikacjaPlasmonic platforms based on Au nanostructures have been successfully synthesized by directional solidification of a eutectic from Au and the substrate. In order to determine homogeneous shape and space distribution, the influence of annealing conditions and the initial thickness of the Au film on the nanostructures was analyzed. For the surface morphology studies, SEM and AFM measurements were performed. The structure of platforms...
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Copper(II) complexes of 7-amino-2-methylchromone and 7-aminoflavone: Magneto-structural, spectroscopic and DFT characterization
PublikacjaFour new complexes of copper(II) consisting of two different chromone derivatives with carbonyl and amine donor atoms: 7-aminoflavone (L1) and 7-amino-2-methylchromone (L2), were synthesized and characterized by X-ray diffraction, UV–Vis, FT-IR, EPR spectroscopy, MS and elemental analysis. In all four compounds, the chromone derivatives were found to act as monodentate O- or N-ligands. The structural characteristics of 1a and...
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Hydroperoxyl radical and formic acid formation from common DNA stabilizers upon low energy electron attachment
Publikacja2-Amino-2-(hydroxymethyl)-1,3-propanediol (TRIS) and ethylenediaminetetraacetic acid (EDTA) are key components of biological buffers and are frequently used as DNA stabilizers in irradiation studies. Such surface or liquid phase studies are done with the aim to understand the fundamental mechanisms of DNA radiation damage and to improve cancer radiotherapy. When ionizing radiation is used, abundant secondary electrons are formed...
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Theoretical Design of the Molecular Structure of Bent-Core Mesogens with Large Second-Order Nonlinear Optical Properties
PublikacjaABSTRACT: The first hyperpolarizability of two series of moleculeswith bent-shaped structures has been calculated at the ab initio level.The two series consist of carboxyl derivatives for which somemolecules are known to exhibit banana phases and of their sulfinatehomologues that have not been synthesized yet. The final purpose isto reveal the relevance or not in synthesizing these latter molecules.The strategy is based on reporting...
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FE investigations of the effect of fluctuating local tensile strength on coupled energetic-statistical size effect in concrete beams
PublikacjaThe effect of fluctuating local tensile strength on a coupled energetic-statistical size effect in plain concrete beams under bending was numerically investigated. First, the influence of varying autocorrelation length of the random field describing a spatial variation of local tensile strength was studied. Next, the influence of the coefficient of variation of local tensile strength was analyzed. The numerical FE investigations...
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Size effect in concrete under splitting tension
PublikacjaThe size effect is a fundamental phenomenon in concrete materials. It denotes that both the nominal structural strength and material ductility always decrease with increasing element size under tension. In the paper splitting tensile tests on cylindrical concrete specimens with the different diameter were carried out. Two types of the loading strip (plywood board and steel cylinder) were used. The concrete strength and ductility...
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Modelling of shear zones during quasi-static granular silo flow using material point method (MPM)
PublikacjaThe paper focuses on confined silo flow of cohesionless sand. The problem considered is a quasi-static flow in a plane strain model silo with parallel walls simulated with the material point method (MPM). The simulation used a non-local hypoplastic constitutive model. Initially, the paper validated the implemented numerical approach with basic element tests and a plane strain compression test. The subsequent MPM calculations for...
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Measurements of the coefficients of current distribution between two generators operating in parallel in a ship power station
Dane BadawczeThe presented dataset is part of research focusing on the assessment of metrological properties of the instrument, Estimator/Analyzer (E/A v.2), developed and made at the Faculty of Electrical Engineering, Department of Marine Electrical Power Engineering of Gdynia Maritime University. The attached dataset contains processed data, expressing the coefficients...
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Change of reaction quotients for SOFC fueled by biogas mixture at 750 C
Dane BadawczeThe dataset contains the Change of reaction quotients for SOFC fueled by biogas mixture at 750 C (60:40 CH4:CO2). The outlet concentration of the gases from SOFC were measured using novel FTIR-based unit.
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Measurements of apparent power distribution in a ship power station with two generators working in parallel
Dane BadawczeThe presented dataset is part of research focusing on the assessment of metrological properties of the instrument, Estimator/Analyzer (E/A v.2), developed and made at the Faculty of Electrical Engineering, Department of Marine Electrical Power Engineering of Gdynia Maritime University. The attached dataset contains processed data, expressing an apparent...
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Experimental and theoretical studies on the photodegradation of 2-ethylhexyl 4-methoxycinnamate in the presence of reactive oxygen and chlorine species
Publikacja2-Ethylhexyl 4-methoxycinnamate (EHMC) is one of the most commonly used sunscreen ingredient. In this study we investigated photodegradation of EHMC in the presence of such common oxidizing and chlorinating systems as H2O2, H2O2/HCl, H2O2/UV, and H2O2/HCl/UV. Reaction products were detected by gas chromatography with a mass spectrometric detector (GC-MS). As a result of experimental studies chloro-substituted 4-methoxycinnamic...
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"Creating a numerical model of noise conditions based on the analysis of traffic volume changes in cities with low and medium structure.
PublikacjaThe subject of this research study is to analyze noise conditions of the selected area in the city of Gdańsk using data related to traffic volume changes during a day. This is because daily distribution of noise levels is much more helpful for noise control and reduction than traditional maps with Lden levels indicated. Calculations are made with the use of a numerical model developed at the Gdansk Univ. of Technology and implemented...
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"Creating a numerical model of noise conditions based on the analysis of traffic volume changes in cities with low and medium structure.
PublikacjaThe subject of this research study is to analyze noise conditions of the selected area in the city of Gdańsk using data related to traffic volume changes during a day. This is because daily distribution of noise levels is much more helpful for noise control and reduction than traditional maps with Lden levels indicated. Calculations are made with the use of a numerical model developed at the Gdansk Univ. of Technology and implemented...
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π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublikacjaThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
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Magnetic-dipole-to-electric-quadrupole cross-susceptibilities for relativistic hydrogenlike atoms in some low-lying discrete energy eigenstates
PublikacjaIn this paper we present tabulated data for magnetic-dipole-to-electric-quadrupole cross-susceptibilities (χ_{M1→E2}) for Dirac one-electron atoms with a pointlike, spinless and motionless nucleus of charge Ze. Numerical values of this susceptibility for the hydrogen atom (Z = 1) and for hydrogenic ions with 2 \leqslant Z \leqslant 137 are computed from the general analytical formula, recently derived by us (Stefanska, 2016), valid...
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On Accuracy Modeling of Gas Turbine Cycles by the In-house COM-GAS Code
PublikacjaIn this paper, a comparison of accuracy modeling of gas turbine cycles between the basic (classical) model and the in-house COM-GAS code has been presented. The basic model uses a semi-perfect gas and well known projecting assumption. On the other hand, the computational flow mechanics (CFM) basis on a real gas by using thermodynamic tables. The thermodynamic analysis of thermal cycles, simply gas cycle GT8C and gas turbine cycle...
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OPERATING CONDITIONS OF SLIDE BEARINGS OF MILLS USED IN KGHM POLSKA MIEDŹ S.A.
PublikacjaThe paper contains the results from a tec hnical analysis of the conditions of the operation of hydrodynamic bearings supporting the drums of ore processing mills at KGHM Polska Mied ź S.A. A theoretical analysis was performed on the grounds of onsite examination and measurem ents of principal dimensions of the bearings of interest. The computer simulation covered the characteristics of the oil film in the bearings...
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Design analysis of ORC micro-turbines making use of thermal energy of oceans
PublikacjaThe article presents the results of the analysis of energy conversion cycles making use of thermal energy of oceans. The objects of analysis were two cases of closed Organic Rankine Cycle (ORC) power plants, which were: the cycle in which the vapour of the working medium was produced by warm oceanic water in the circum-equatorial zone, and the so-called “arctic” cycle in which this vapour was produced by non-frozen water in the circumpolar...
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seafloor characterisation combined approach using multibeam sonar echo signal processing and image analysis
PublikacjaThe authors propose the approach to seafloor characterisation which relies on the combined, concurrent use of two different techniques: (i) multibeam sonar image analysis and (ii) multibeam seabed echoes processing. The first technique is based on constructing the grey-level sonar images of the seabed extracted from the echoes received in the consecutive soundings. Then, the set of parameters describing the local region of sonar...
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Tuning of the plasmon resonance location in Au nanostructures coated with a ultrathin film of Al2O3 – Optical measurements and FDTD simulations
PublikacjaThe Au nanostructures have been coated with an ultra-thin films of amorphous aluminium oxide. Optical absorption spectra show the influence of the thickness of Al2O3 on plasmon resonance wavelength. The observed red-shift of the resonance location with the increase of the thickness of the Al2O3 film, can be explained by the change in the dielectric function of this film. It allows control of the optical spectra of the coated particles....
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Oriented Gaussian beams for high-accuracy computation with accuracy control of X-ray propagation through a multi-lens system
PublikacjaA highly accurate method for calculating X-ray propagation is developed. Within this approach, the propagating wave is represented as a superposition of oriented Gaussian beams. The direction of wave propagation in each Gaussian beam agrees with the local direction of propagation of the X-ray wavefront. When calculating the propagation of X-ray waves through lenses, the thin lens approximation is applied. In this approximation,...
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Comparative Evaluation of Selected Biological Methods for the Removal of Hydrophilic and Hydrophobic Odorous VOCs from Air
PublikacjaDue to increasingly stringent legal regulations as well as increasing social awareness, the removal of odorous volatile organic compounds (VOCs) from air is gaining importance. This paper presents the strategy to compare selected biological methods intended for the removal of different air pollutants, especially of odorous character. Biofiltration, biotrickling filtration and bioscrubbing technologies are evaluated in terms of...
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Experimental tests of lintel hybrid beams
PublikacjaThe results of experimental tests of lintel hybrid beams made of air concrete and prestressed concrete were presented in paper. Blocks of air concrete was a protective element for the construction one. The length of hybrid beams was 3.0 m, while total height 27 cm. It was assumed that hybrid beams will work in the simply-supported scheme (with a 10 cm support) loaded uniformly over the entire length. The object of the tests were...
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Design Equation for Stirring Fluid by a Stream Pump in a Circulating Tank
PublikacjaA circulating tank is a very useful theoretical scheme for many fluid-flow objects in several branches of engineering. The motion of the fluid in such objects can be induced in different ways. A stream pump provides an especially interesting possibility; however, the quantitative description of such devices shows some shortcomings. Such a device is analogous to a jet pump, thus has similar advantages (simplicity of construction,...
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Mathematical models of process quality on the example of the bakery industry
PublikacjaThis article presents a new approach to quantitative dimensionless assessment of the efficiency and competitiveness of production processes. New concepts of process quality and relative product quality have been introduced. Process quality was expressed in vector and scalar. The process quality vector ono was expressed by the product of reliability by the vector from the sum of three components taking into account the composition...
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Electron-Induced Decomposition of Uracil-5-yl O-(N,N-dimethylsulfamate): Role of Methylation in Molecular Stability
PublikacjaThe incorporation of modified uracil derivatives into DNA leads to the formation of radical species that induce DNA damage. Molecules of this class have been suggested as radiosensitizers and are still under investigation. In this study, we present the results of dissociative electron attachment to uracil-5-yl O-(N,N-dimethylsulfamate) in the gas phase. We observed the formation of 10 fragment anions in the studied range of electron...
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Optical flow method for measuring deformation of soil specimen subjected to torsional shearing
PublikacjaIn this study optical flow method was used for soil small deformation measurement in laboratory tests. The main objective was to observe how the deformation distributes along the whole height of cylindrical soil specimen subjected to torsional shearing (TS test). The experiments were conducted on dry non-cohesive soil specimens under two values of isotropic pressure. Specimens were loaded with low-amplitude cyclic torque to analyze...
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Prediction of cast-in-place concrete strength of the extradosed bridge deck based on temperature monitoring and numerical simulations
PublikacjaThe work is devoted to the implementation of a monitoring system for high performance concrete embedded in the span of an extradosed bridge deck using a modified maturity method augmented by numerical simulations conducted by the authors’ FEM code. The paper presents all research stages of bridge construction and considers the conclusions drawn from the results of laboratory tests, field measurements, and numerical calculations....
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Electron-Induced Decomposition of 5-Bromo-4-thiouracil and 5-Bromo-4-thio-2′-deoxyuridine: The Effect of the Deoxyribose Moiety on Dissociative Electron Attachment
PublikacjaWhen modified uridine derivatives are incorporated into DNA, radical species may form that cause DNA damage. This category of molecules has been proposed as radiosensitizers and is currently being researched. Here, we study electron attachment to 5-bromo-4-thiouracil (BrSU), a uracil derivative, and 5-bromo-4-thio-20 -deoxyuridine (BrSdU), with an attached deoxyribose moiety via the N-glycosidic (N1-C) bond. Quadrupole mass spectrometry...
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Experimental and analytical analysis of punching shear in flat slabs supported on column topped with concrete head
PublikacjaAn experimental laboraatory test of the two series of slab-column elements topped with drop panels of varying sizes is described in this paper. The scope of the paper is to investigate the influence of the drop panel size and stiffness on the behaviour of the connection between the flat slab and the column topped by the concrete head. The impact of the head size and stiffness is analysed analytically and experimentally. The experimental...
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Experimental and theoretical study on high-temperature creep of VT6 titanium alloy under multi-axial loading conditions
PublikacjaIn the framework of damage mechanics, we discuss a new mathematical model that describes the kinetics of the stress–strain state and damage accumulation during material degradation by the mechanism of long-term strength under complex multiaxial stress state. An experimental and theoretical technique is proposed for determination of material parameters and scalar constitutive functions for damaged media based on specially set experiments...
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Fatigue Performance of Double-Layered Asphalt Concrete Beams Reinforced with New Type of Geocomposites
PublikacjaThe reinforcement of asphalt layers with geosynthetics has been used for several decades, but proper evaluation of the influence of these materials on pavement fatigue life is still a challenging task. The presented study investigates a novel approach to the reinforcement of asphalt layers using a new type of geogrid composite, in which square or hexagonal polypropylene stiff monolithic paving grid with integral junctions is bonded...
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Stark effect of atomic helium singlet lines
PublikacjaWe present experimental and theoretical investigations of the He spectral series 2S1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) and 2P1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) in electric fields up to 1635 kV/cm. Apart from the allowed transitions with |ΔL|=1, the transitions with |ΔL|=0,2,3,…-without field strictly forbidden-were observed. Several He patterns become similar to hydrogen patterns, which means they are nearly symmetric and show in higher fields...
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Evaluation of Thermal Stresses in Asphalt Layers in Comparison with TSRST Test Results
PublikacjaThe paper presents the results of calculations and laboratory determination of thermal stresses at low temperatures. The modified Hills and Brien's method was used to calculate the thermal stresses in asphalt layers of pavements and the results were compared against the values obtained at a laboratory with the Thermal Stress Restrained Specimen Test (TSRST) method. The laboratory investigations were conducted using plain grade...
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Analytical model with non-adiabatic effects for pressure drop and heat transfer during boiling and condensation flows in conventional channels and minichannels
PublikacjaIn the paper a method developed earlier by authors is applied to calculations of pressure drop and heat transfer coefficient for boiling flow and condensation flow with account of non- adiabatic effects for some recent data collected from literature. The first effect, the modification of interface shear stresses in annular flow pattern is considered through incorporation of the so called "blowing parameter". The mechanism of...
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Comparison of safety levels required by adequate regulations for cargo ships of different types
PublikacjaDuring the currently ongoing development of methods for assessing the safety of ships, it is imperative that a compromise between the accuracy of the results and the accessibility of obtaining results is reached. This paper shows the calculations of a theoretical hull against damage stability regulations as included in SOLAS 2020, ICLL 66/88 as amended in 2003 and MARPOL 78. The rules included in the currently valid regulations require...
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DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
PublikacjaInteractions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a complex experimental and theoretical approach is applied to study systems comprising the peptide, water, and two co-solutes: trimethylamide...
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Determinants of Directionality and Efficiency of the ATP Synthase Fo Motor at Atomic Resolution
PublikacjaFo subcomplex of ATP synthase is a membrane-embedded rotary motor that converts proton motive force into mechanical energy. Despite a rapid increase in the number of high-resolution structures, the mechanism of tight coupling between proton transport and motion of the rotary c-ring remains elusive. Here, using extensive all-atom free energy simulations, we show how the motor’s directionality naturally arises from the interplay...
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Examination of advanced isotropic constitutive laws under complex stress states in plain and reinforced concrete specimens
PublikacjaThe performance of advanced isotropic constitutive laws under complex stress states in plain and reinforced concrete specimens is investigated. Three different formulations are chosen: original Mazars model, Mazars mi model and model proposed by Pereira and coworkers. The degradation of the material in all formulations is described via a single variable, but a strain/stress state is taken into account via quite sophisticated relationships....
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Shear band evolution phenomena in direct shear test modelled with DEM.
PublikacjaA direct shear test is widely used in the geotechnical engineering field. It is an easy and quick test to measure the shear properties of soil. This test often replaces more expensive and difficult tri-axial shear test. Despite that the direct shear test is known and used for a long time, it is still not well investigated at the grain scale. This paper deals with the micro behaviour of the cohesionless sand inside the direct shear...
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Potential energy curves, transition and permanent dipole moments of KRb
PublikacjaWe 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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Towards an Understanding of the Stability Assessment of Floating Buildings
PublikacjaOne of the most important aspects of the design of floating facilities such as ships, floating offshore structures or floating houses is stability. Its impact on both general safety and operational aspects renders it a fundamental consideration already in preliminary design stages. Usually, the concept of sufficient stability of floating buildings is associated with the ability to keep an allowed heel angle and residual freeboard,...