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Wyniki wyszukiwania dla: LIFECYCLE COST MODELING
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Optimal Distribution of the Nonoverlapping Conducting Disks
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Conductivity of Fibre Composites with Fractures on the Boundary of Inclusions
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Ab initio study of phenyl benzoate: structure, conformational analysis, dipole moment, IR and Raman vibrational spectra
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Molecular dynamics study of 4-OH-phenylacetyl- D -Y(Me)FQNRPR-NH 2 selectivity to V1a receptor
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A hypothesis for GPCR activation
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Attaching an alkali metal atom to an alkaline earth metal oxide (BeO, MgO, or CaO) yields a triatomic metal oxide with reduced ionization potential and redirected polarity
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Functionalization of the transition metal oxides FeO, CoO, and NiO with alkali metal atoms decreases their ionization potentials by 3–5 eV
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Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc
PublikacjaGlucosamine-6-phosphate (GlcN-6-P) synthase catalyses the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5' diphospho N-acetyl-D-glucosamine (UDPGlcNAc), is an essential substrate for assembly of bacterialand fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which makes it a potential target...
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Molecular dynamics simulations of the growth of poly (chloro-para-xylylene) films.
PublikacjaParylene C, poly(chloro-para-xylylene) is the most widely used member of the parylene family due to its excellent chemical and physical properties. In this work we analyzed the formation of the parylene C film using molecular mechanics and molecular dynamics methods. A five unit chain is necessary to create a stable hydrophobic cluster and to adhere to a covered surface. Two scenarios were deemed to take place. The obtained results...
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The effective elastic properties of human trabecular bone may be approximated using micro-finite element analyses of embedded volume elements.
PublikacjaBoundary conditions (BCs) and sample size affect the measured elastic properties of cancellous bone. Samples too small to be representative appear stiffer under kinematic uniform BCs (KUBCs) than under periodicity-compatible mixed uniform BCs (PMUBCs). To avoid those effects, we propose to determine the effective properties of trabecular bone using an embedded configuration. Cubic samples of various sizes (2.63, 5.29, 7.96, 10.58...
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Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublikacjaIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
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Novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(1,3,5-triazin-2-ylamino)guanidine derivatives: Inhibition of human carbonic anhydrase cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII, anticancer activity, and molecular modeling studies
PublikacjaA series of novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(6-substituted-4-chloro-1,3,5-triazin-2-ylamino)guanidine derivatives 9–20 have been synthesized by substitution of chlorine atom at the 1,3,5-triazine ring in compounds 5–8 with 3- or 4-aminobenzenesulfonamide and 4-(aminomethyl)benzenesulfonamide hydrochloride. All the synthesized compounds were evaluated for their inhibitory activity toward hCA I, II,...
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TECHNIKI CAD W INŻYNIERII ELEKTRYCZNEJ - WYBRANE ZAGADNIENIA
PublikacjaW pracy przedstawiono różne techniki CAD (ang. Computer Aided Design) wykorzystywane w inżynierii elektrycznej dla potrzeb komputerowego modelowania 3D przetworników elektromechanicznych. Wirtualne modele 3D różnych urządzeń są użyteczne nie tylko przy opracowywaniu dokumentacji technicznej ale są także wykorzystywane w obliczeniach inżynierskich:...
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Efektywność przewodowego transportu paliw gazowych. Część 1
PublikacjaW pracy przeprowadzono badanie możliwości podwyższenia efektywności transportu rurociągowego gazu ziemnego. Przeanalizowano różnorodne aspekty z zakresu procedur projektowania. Zaproponowano modele określania kosztów kapitałowych (inwestycyjnych) i kosztów zmiennych. Określono równania jednostkowych kosztów całkowitych (rocznych), które poddano „quasi-optymalizacji”, w celu wyznaczenia średnic racjonalnych dla gazociągów.
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Efektywność przewodowego transportu paliw gazowych. Część 2
PublikacjaW pracy przeprowadzono badanie możliwości podwyższenia efektywności transportu rurociągowego gazu ziemnego. Przeanalizowano różnorodne aspekty z zakresu procedur projektowania. Zaproponowano modele określania kosztów kapitałowych (inwestycyjnych) i kosztów zmiennych. Określono równania jednostkowych kosztów całkowitych (rocznych), które poddano „quasi-optymalizacji”, w celu wyznaczenia średnic racjonalnych dla gazociągów.
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Linear Micropolar Elasticity Analysis of Stresses in Bones Under Static Loads
PublikacjaWe discuss the finite element modeling of porous materials such as bones using the linear micropolar elasticity. In order to solve static boundary-value problems, we developed new finite elements, which capture the micropolar behavior of the material. Developed elements were implemented in the commercial software ABAQUS. The modeling of a femur bone with and without implant under various stages of healing is discussed in details
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Interaction Between Storm Water Conduit Flow and Overland Flow for Numerical Modelling of Urban Area Inundation
PublikacjaNowadays we can observe increasing frequency of inundations in cities. This makes accurate predicting of inundations more important than ever. Numerical modeling of this issue requires complex approach with simultaneous calculations of pipe flow and surface flow. In this paper, after a short review of known methods used for solving pipe and surface flow, we will try to answer the question if presented methods would be sufficiently...
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Recent advances in 3D bioprinted tumor models for personalized medicine
PublikacjaCancerous tumors are among the most fatal diseases worldwide, claiming nearly 10 million lives in 2020. Due to their complex and dynamic nature, modeling tumors accurately is a challenging task. Current models suffer from inadequate translation between in vitro and in vivo results, primarily due to the isotropic nature of tumors and their microenvironment's relationship. To address these limitations, hydrogel-based 3D bioprinting...
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Double-Blind Reputation vs. Intelligent Fake VIP Attacks in Cloud-Assisted Interactions
PublikacjaWe consider a generic model of Client-Server interactions in the presence of Sender and Relay, conceptual agents acting on behalf of Client and Server, respectively, and modeling cloud service providers in the envisaged "QoS as a Service paradigm". Client generates objects which Sender tags with demanded QoS level, whereas Relay assigns the QoS level to be provided at Server. To verify an object's right to a QoS level, Relay detects...
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Rapid assessment of the authenticity of limequat fruit using the electronic nose and gas chromatography coupled with mass spectrometry
PublikacjaCitrus fruits are very popular food products. There are many species and varieties of them. There are also documented cases of some citrus fruits causing a severe allergic reaction. Some species of the citrus fruits, especially hybrid ones show a reduced allergenic effect due to the lack of seeds. There is a need for rapid methods for evaluation of citrus’ botanical origin. During research, the headspace of three citrus fruits...
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Techno-economic analysis of a hybrid energy system for electrification using an off-grid solar/biogas/battery system employing HOMER: A case study in Vietnam
PublikacjaThe electrification of off-grid /island villages is a critical step towards improving the techno-economic circumstances of rural regions and the overall general growth of the country. However, consistent supply from a single source is not possible in these areas. Thus, a hybrid renewable energy system performs better in these conditions. The research challenge now is to identify the optimal combinations of HRES from the available...
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Port-based approach to distributed transfer function method
PublikacjaIn the paper there is presented an uniform, port-based approach to modeling of both lumped and distributed parameter systems. Port-based model of distributed system has been defined by application of distributed transfer function method (DTFM). The approach proposed combines versatility of port - based modeling and accuracy of distributed transfer function method. It enables to formulate appropriate input data for computer analysis...
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Strategies for achieving energy neutrality in biological nutrient removal systems - a case study of the Slupsk WWTP (northern Poland)
PublikacjaThe paper presents a model-based evaluation of technological upgrades on the energy and cost balance in a large biological nutrient removal wastewater treatment plant (WWTP) in the city of Slupsk (northern Poland). The proposed upgrades include chemically enhanced primary sludge removal and reduction of the nitrogen load in the deammonification process employed for reject water treatment. Simulations enabled to estimate the increased...
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Strategies for Achieving Energy Neutrality in Biological Nutrient Removal Systems – a Case Study of the Slupsk WWTP (northern Poland)
PublikacjaThe paper presents a model-based evaluation of technological upgrades on the energy and cost balance in a large biological nutrient removal wastewater treatment plant (WWTP) in the city of Slupsk (northern Poland). The proposed upgrades include chemically enhanced primary sludge removal and reduction of the nitrogen load in the deammonification process employed for reject water treatment. Simulations enabled to estimate the increased...
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Uproszone modelowanie sieci dystrybucyjnej na potrzeby analiz przyłączeniowych
PublikacjaW artykule przedstawiono rozważania na temat sposobu modelowania sieci średniego (SN) i niskiego (nn) napięcia na potrzeby wykonywania analiz przyłączeniowych przez operatorów sieci dystrybucyjnej. Przeprowadzono dyskusję na temat możliwych do wykonania uproszczeń w modelowaniu sieci, które są do zaakceptowania z punktu widzenia uzyskiwanego wyniku końcowego. Głównym elementem wymuszającym uproszenia w modelowaniu jest środowisko...
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Hazards of a flooding event in the city of Gdansk and possible forms of preventing the phenomenon – case study
PublikacjaThe main objective is to examine the urban flood hazard in the city of Gdansk and to determine the possibilities of preventing this phenomenon. Hydrological and hydraulic modeling was used for the case study analysis of urban flood in Strzyża basin, applying the HEC-HMS and HEC-RAS systems. The result of modeling with the assumption of torrential rainfall with a duration of t = 1 h (from 35 to 58 mm) is the probability of pluvial...
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Problemy modelowania liczby podróży generowanych i absorbowanych na przykładzie Gdańska
PublikacjaJedną z podstawowych danych niezbędnych do planowania elementów systemu transportowego jest informacja o liczbie podróży odbywanych na analizowanym obszarze. Dane te uzyskiwane są najczęściej za pomocą symulacyjnych modeli transportowych. Jednym z istotnych elementów i pierwszym etapem najczęściej stosowanego, klasycznego modelu czterostopniowego jest modelowanie liczby podróży generowanych i absorbowanych, podczas którego to...
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Approaching Secure Industrial Control Systems
PublikacjaThis study presents a systematic approach to secure industrial control systems based on establishing a business case followed by the development of a security programme. To support these two fundamental activities the authors propose a new method for security cost estimation and a security assessment scheme. In this study they explain the cost evaluation technique and illustrate with a case study concerning the assessment of the...
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High-Efficacy Global Optimization of Antenna Structures by Means of Simplex-Based Predictors
PublikacjaDesign of modern antenna systems has become highly dependent on computational tools, especially full-wave electromagnetic (EM) simulation models. EM analysis is capable of yielding accurate representation of antenna characteristics at the expense of considerable evaluation time. Consequently, execution of simulation-driven design procedures (optimization, statistical analysis, multi-criterial design) is severely hindered by the...
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Performance-driven yield optimization of high-frequency structures by kriging surrogates
PublikacjaUncertainty quantification is an important aspect of engineering design, as manufacturing toler-ances may affect the characteristics of the structure. Therefore, quantification of these effects is in-dispensable for adequate assessment of the design quality. Toward this end, statistical analysis is performed, for reliability reasons, using full-wave electromagnetic (EM) simulations. Still, the computational expenditures associated...
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On Adaptive Spectrum Estimation of Multivariate Autoregressive Locally Stationary Processes
PublikacjaAutoregressive modeling is a widespread parametricspectrum estimation method. It is well known that, in the caseof stationary processes with unknown order, its accuracy canbe improved by averaging models of different complexity usingsuitably chosen weights. The paper proposes an extension of thistechnique to the case of multivariate locally stationary processes.The proposed solution is based on local autoregressive...
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CAUSALITY IN MODELS OF THERMAL PROCESSES IN SHIP ENGINE ROOMS WITH THE USE OF BOND GRAPH (BG) METHOD
PublikacjaWith a single approach to modeling elements of different physical nature, the method of Bond Graph (BG) is particularly well suited for modeling energy systems consisting of mechanical, thermal, electrical and hydraulic elements that operate in the power system engine room. The paper refers to the earlier presented new concept of thermal process modeling using the BG method. The authors own suggestions for determining causality...
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Model obliczania kosztu cyklu życia obiektu na przykładzie budynku mieszkalnego jednorodzinnego
PublikacjaW artykule przedstawiono model obliczania kosztu cyklu życia budynku mieszkalnego jednorodzinnego oraz wskazano możliwości ograniczenia wydatków związanych z jego użytkowaniem w okresie trzydziestu lat. Celem prezentowanej analizy rachunku kosztu cyklu życia jest porównanie i ocena kosztów nabycia i użytkowania domu realizowanego według alternatywnych technologii z uwzględnieniem przyjętych rozwiązań w zakresie pozyskania energii,...
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Controlling nodal displacement of pantographic structures using matrix condensation and interior-point optimization: A numerical and experimental study
PublikacjaThis study presents an innovative approach for the precise control of nodal displacements in pantographic structures. The method is founded on the Matrix Condensation of Force Method, seamlessly integrated with an Interior Point Optimization algorithm. This combination offers a unique advantage by allowing users to manipulate displaced nodes within a defined coordination domain. Furthermore, this approach introduces the Interior...
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Tolerance Optimization of Antenna Structures by Means of Response Feature Surrogates
PublikacjaFabrication tolerances and other types of uncertainties, e.g., the lack of precise knowledge of material parameters, have detrimental effects on electrical and field performance of antenna systems. In the case of input characteristics these are particularly noticeable for narrow- and multi-band antennas where deviations of geometry parameters from their nominal values lead to frequency shifts of the operating frequency bands. Improving...
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Modeling of flow phenomena on the mould plastic interface associated withpolymer injection. Trends Production Technol.**2002 Bd 3 s. 122-137, 11 rys Proceedings of the International Colloquium on Production Science. Gdańsk, April 15th 2002. Ed. D. Spaht. Modelowanie zjawisk zachodzących podczas wtrysku w strefie tworzywo-forma.
PublikacjaPodczas wtrysku występują w warstwie tworzywa przy ściance formy zjawiska,które są źródłem wad. Opisano powyższe zjawiska oraz zaprezentowano model zachowania się tworzywa w strefie przyściennej z wykorzystaniem symulacji komputerowej procesu wtrysku. Symulację wykonano na komputerach CI TASK przyuzyciu programu FIDAP. Ponadto przedstawiono wyniki badań doświadczalnych w postaci fotografii i profilogramów powierzchni, które...
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Virtual designs and reconstructions of amber works: Amber craftsman simulator
PublikacjaThis paper presents the concept of visualization of amber works in a virtual reality cave. It describes problems encountered during the acquisition, modeling and rendering of geometrical objects distinguished by heterogeneous transparency.
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Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
PublikacjaPartition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibria is presented. The octanol/water and octanol/air partition coefficients are predicted...
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The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?
PublikacjaPreorganization of large, directionally oriented, electric fields inside protein active sites has been proposed as a crucial contributor to catalytic mechanism in many enzymes, and it may be efficiently investigated at the atomistic level with molecular dynamics simulations. Here, we evaluate the ability of the AMOEBA polarizable force field, as well as the additive Amber ff14SB and Charmm C36m models, to describe the electric...
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Isomerization and Decomposition of 2-Methylfuran with External Forces
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Use of Restraints from Consensus Fragments of Multiple Server Models To Enhance Protein-Structure Prediction Capability of the UNRES Force Field
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A Maximum-Likelihood Approach to Force-Field Calibration
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Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13
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Chirality Measures of α-Amino Acids
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Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study
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Role of Oligosaccharide Chain Polarity in Protein–Glycosaminoglycan Interactions
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Multi-Objective Genetic Algorithm (MOGA) As a Feature Selecting Strategy in the Development of Ionic Liquids’ Quantitative Toxicity–Toxicity Relationship Models
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Electro-thermal buckling of elastically supported double-layered piezoelectric nanoplates affected by an external electric voltage
PublikacjaPurpose Thermal buckling of double-layered piezoelectric nanoplates has been analyzed by applying an external electric voltage on the nanoplates. The paper aims to discuss this issue. Design/methodology/approach Double-layered nanoplates are connected to each other by considering linear van der Waals forces. Nanoplates are placed on a polymer matrix. A comprehensive thermal stress function is used for investigating thermal buckling....
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Temperature influences on shear stability of a nanosize plate with piezoelectricity effect
PublikacjaPurpose The purpose of this paper is to predict the mechanical behavior of a piezoelectric nanoplate under shear stability by taking electric voltage into account in thermal environment. Design/methodology/approach Simplified first-order shear deformation theory has been used as a displacement field. Modified couple stress theory has been applied for considering small-size effects. An analytical solution has been taken into account...
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Evaluation of Eucalyptus leaves as an adsorbent for decolorization of Methyl Violet (2B) dye in contaminated waters: Thermodynamic and Kinetics model
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