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Wyniki wyszukiwania dla: COVID-19 MOLECULAR DOCKING MULTI-EPITOPES VACCINESMM-PBSA/MM-GBSA ANALYSIS SARS-COV-2 VARIANTS
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Sprawozdanie naukowe z badania nośności pala CFA Nr T13 mm metodą próbnego obciążenia statycznego z pomiarem rozkładu siły osiowej wzdłuż trzonu na terenie budowy Inteligentnego Centrum Logistycznego w Pustyni k. Dębicy
PublikacjaOpracowanie wyników badania nośności pala wierconego świdrem ciągłym CFA ∅630 mm, nr T13, wykonanego na terenie budowy Inteligentnego Centrum Logistycznego dla Nutrifarm Sp. z o.o., zlokalizowanego w miejscowości Pustynia k. Dębicy. Badanie pala wykonano metodą próbnego obciążenia statycznego z pomiarem rozkładu siły osiowej wzdłuż trzonu pala, zrealizowanym za pomocą ekstensometrów strunowych.
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Fast multi-objective design optimization of microwave and antenna structures using data-driven surrogates and domain segmentation
PublikacjaPurpose Strategies and algorithms for expedited design optimization of microwave and antenna structures in multi-objective setup are investigated. Design/methodology/approach Formulation of the multi-objective design problem oriented towards execution of the population-based metaheuristic algorithm within the segmented search space is investigated. Described algorithmic framework exploit variable fidelity modeling, physics- and...
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Oral Health-Related Knowledge, Attitudes and Behaviours of Arab Dental Students: Multi-National Cross-Sectional Study and Literature Analysis 2000–2020
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High pressure and time resolved studies of optical properties of n-type doped GaN/AlN multi-quantum wells: Experimental and theoretical analysis
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Multi-criteria Differential Evolution for Optimization of Virtual Machine Resources in Smart City Cloud
PublikacjaIn a smart city, artificial intelligence tools support citizens and urban services. From the user point of view, smart applications should bring computing to the edge of the cloud, closer to citizens with short latency. However, from the cloud designer point of view, the trade-off between cost, energy and time criteria requires the Pareto solutions. Therefore, the proposed multi-criteria differential evolution can optimize virtual...
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Hydraulic analysis of causes of washout of Gdynia-Orłowo seashore during the flood in the Kacza river estuary
PublikacjaIn July 2016 in the Three-city agglomeration a rainfall episode of over a day duration and 150 mm summary rainfall height, occurred. This situation, extreme as for Polish conditions, caused significant freshets in rivers and streams running into Gdansk Bay, the Baltic Sea, and serving as collectors of rainfall waters for the sea-coast towns. In many areas of the Three-city flood phenomena and overflows took place. The flood also...
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Can the Pandemic Be a Catalyst of Spatial Changes Leading Towards the Smart City?
PublikacjaThe worldwide spread of Covid‐19 infections has had a pervasive influence on cities and the lives of their residents. The current crisis has highlighted many urban problems, including those related to the functionality of urban structures, which directly affect the quality of life. Concurrently, the notion of “smart cities” is becoming a dominant trend in the discourse on urban development. At the intersection of these two phenomena,...
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Simple 2-D Direction-of-Arrival Estimation Using an ESPAR Antenna
PublikacjaIn this letter, it has been shown how an electronically steerable parasitic array radiator (ESPAR) antenna can be used for 2-D direction-of-arrival (DoA) estimation employing received signal strength (RSS) values only. The proposed approach relies on changes in RSS values recorded at the antenna output port observed for different vertical and horizontal directions, while antenna’s main beam sweeps 360° area around the ESPAR antenna. Based...
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Screening of predicted synergistic multi-target therapies in glioblastoma identifies new treatment strategies
PublikacjaAbstract Background IDH-wildtype glioblastoma (GBM) is a highly malignant primary brain tumor with a median survival of 15 months after standard of care, which highlights the need for improved therapy. Personalized combination therapy has shown to be successful in many other tumor types and could be beneficial for GBM patients. Methods We performed the largest drug combination screen to date in GBM, using a high-throughput effort...
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CULTURAL DETERMINANTS OF EVIDENCE-BASED HUMAN RESOURCES MANAGEMENT: A CROSS-COUNTRY ANALYSIS
PublikacjaPurpose: This paper aims at providing comparative analysis of the influence of cultural determinants on the managers’ perceptions of human resources management practices, as a factor conditioning application of evidence-based management. Design/methodology/approach: This article presents the study of 121 managers in Poland, on their perception of HRM practices and analyses the consistency of findings with the Hofstede cultural...
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Evaluation of possibilities of genotyping of Candida glabrata clinical isolates with RAPD-PCR method and microsatellite analysis
PublikacjaThe aim of the study was to compare the discriminatory power of RAPD-PCR method using RSD10 primer and microsatellite (GACA)4 analysis for genotyping clinical isolates of C. glabrata. Isolates were received from patients of two Polish hospitals: Children's Memorial Health Institute in Warsaw (n=17) and Medical University of Gdansk (n=37). Species identification was confirmed by two phenotypic methods: growth on chromagar plates...
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Design-oriented computationally-efficient feature-based surrogate modelling of multi-band antennas with nested kriging
PublikacjaDesign of modern antenna structures heavily depends on electromagnetic (EM) simulation tools. EM analysis provides reliable evaluation of increasingly complex designs but tends to be CPU intensive. When multiple simulations are needed (e.g., for parameters tuning), the aggregated simulation cost may become a serious bottleneck. As one possible way of mitigating the issue, the recent literature fosters utilization of faster representations,...
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The molecular function of kallikrein‐related peptidase 14 demonstrates a key modulatory role in advanced prostate cancer
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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublikacjaCRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is promising to treat a myriad of human genetic diseases. Nevertheless, the molecular basis of DNA cleavage, which is a fundamental step for genome editing, has not been established. Here, quantum–classical molecular dynamics (MD) and free energy methods are used...
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Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publikacjaabstract = { The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of $^{12}$C$_2$^-$ ($^2 \Sigma_g^+$) with H$_2$ ($^1 \Sigma_g^+$) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are...
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Elastoplastic nonlinear FEM analysis of FGM shells of Cosserat type
PublikacjaThe paper is a continuation of [1] where the formulation of the elastic constitutive law for functionally graded materials (FGM) on the grounds of nonlinear 6-parameter shell theory with the 6th parameter (the drilling degree of freedom) was presented. Here the formulation is extended to the elasto-plastic range. The material law is based on Cosserat plasticity and employs the well-known Tamura-Tomota-Ozawa (TTO) [2] mixture...
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A Proposed Molecular Mechanism of High-Dose Vitamin D3 Supplementation in Prevention and Treatment of Preeclampsia
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Multi-criteria Robot Selection Problem for an Automated Single-Sided Lapping System
PublikacjaFlat lapping is a crucial process in a number of precision manufacturing technologies. Its aim is to achieve extremely high flatness of the workpiece. Single-sided lapping machines have usually standard kinematic systems and are used in conjunction with conditioning rings, which are set properly be-tween the center and the periphery of the lapping plate. In this paper, instead of conventional single-side lapping machine, an automated...
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Isotope-labeled substances in analysis of persistent organicpollutants in environmental samples
PublikacjaUltratrace analysis of persistent organic pollutants (POPs) in environmental samples requires very sophisticated methods for both sample preparation and instrumental analysis. The complex matrix requires a multi-stage procedure. Each stage is a potential source of error, as a consequence of which the final result of analysis could be a source of misinformation rather than information. The individual stages and the procedure as...
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Thermo-elastic non-linear analysis of multilayered plates and shells
PublikacjaGeometrically nonlinear FEM analysis of multilayered composite plates and shells is performed in order to resolve the stability problem of the structures being under the influence of temperature field. The Riks-Wempner-Ramm algorithm with a specially modified multi-choice unloading condition has been implemented in authors’ numerical code. As the representation of multilayered medium the Equivalent Single Layer approach with the...
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Finite element modelling of a historic church structure in the context of a masonry damage analysis
PublikacjaThe paper includes a case study of modelling a real historic church using the finite element method (FEM) based on laser scans of its geometry. The main goal of the study was the analysis of the causes of cracking and crushing of masonry walls. An FEM model of the structure has been defined in ABAQUS. A non-linear dynamic explicit analysis with material model including damage plasticity has been performed. A homogenization procedure...
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Combined analysis of whole human blood parameters by Raman spectroscopy and spectral-domain low-coherence interferometry
PublikacjaIn this article the simultaneous investigation of blood parameters by complementary optical methods, Raman spectroscopy and spectral-domain low-coherence interferometry, is presented. Thus, the mutual relationship between chemical and physical properties may be investigated, because low-coherence interferometry measures optical properties of the investigated object, while Raman spectroscopy gives information about its molecular...
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Global Value Chains and Wages: Multi-Country Evidence from Linked Worker-Industry Data
PublikacjaThis paper uses a multi-country microeconomic setting to contribute to the literature on the nexus between production fragmentation and wages. Exploiting a rich dataset on over 110,000 workers from nine Eastern and Western European countries and the United States, we study the relationship between individual workers’ wages and industry ties into global value chains (GVCs). We find an inverse (but weak) relationship between the...
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublikacjaOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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Performance analysis of an rfid-based 3d indoor positioning system combining scene analysis and neural network methods
PublikacjaThe main purpose of this research is to improve localization accuracy of an active Radio Frequency Identification, RFID tag, in 3D indoor space. The paper presents a new RFID based 3D Indoor Positioning System which shows performance improvement. The proposed positioning system combines two methods: the Scene Analysis technique and Artificial Neural Network. The results of both simulation using Log-Distance Path Loss Model and...
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THERMAL ANALYSIS AND DESIGN OF HYBRID MICROCHANNEL-MICROJET TEST PROBE
PublikacjaThe paper presents the numerical investigation of a microjet- microchannel cooling module. In which microjets of water are impinging into the microchannels and forming a liquid film on the impingement surface. Applied technology takes benefits from two very attractive heat removal techniques. When lminar jets are impinging on the surface have a very high kinetic energy at the stagnation point, also in microchannels boundary layer...
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Study of Integer Spin S = 1 in the Polar Magnet β-Ni(IO3)2
PublikacjaPolar magnetic materials exhibiting appreciable asymmetric exchange interactions can potentially host new topological states of matter such as vortex-like spin textures; however, realizations have been mostly limited to half-integer spins due to rare numbers of integer spin systems with broken spatial inversion lattice symmetries. Here, we studied the structure and magnetic properties of the S = 1 integer spin polar magnet β-Ni(IO3)2...
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Hierarchical 2-step neural-based LEGO bricks detection and labeling
PublikacjaLEGO bricks are extremely popular and allow the creation of almost any type of construction due to multiple shapes available. LEGO building requires however proper brick arrangement, usually done by shape. With over 3700 different LEGO parts this can be troublesome. In this paper, we propose a solution for object detection and annotation on images. The solution is designed as a part of an automated LEGO bricks arrangement. The...
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(CsX)Cu5O2(PO4)2 (X = Cl, Br, I): A Family of Cu2+ S = 1/2 Compounds with Capped-Kagomé Networks Composed of OCu4 Units
PublikacjaThree new salt inclusion compounds (CsX)Cu5O2(PO4)2 (X = Cl, Br, I), phosphate analogues of the kagomé mineral averievite, are reported. Their crystal structures are composed of trigonal networks of corner-sharing OCu4 anion-centered tetrahedra, forming capped-kagomé planes, which can also be regarded as two-dimensional slices along the [111] direction of a pyrochlore lattice. Magnetization and heat capacity measurements reveal...
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On Fast Multi-objective Optimization of Antenna Structures Using Pareto Front Triangulation and Inverse Surrogates
PublikacjaDesign of contemporary antenna systems is a challenging endeavor, where conceptual developments and initial parametric studies, interleaved with topology evolution, are followed by a meticulous adjustment of the structure dimensions. The latter is necessary to boost the antenna performance as much as possible, and often requires handling several and often conflicting objectives, pertinent to both electrical and field properties...
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Constrained multi-objective optimization of compact microwave circuits by design triangulation and pareto front interpolation
PublikacjaDevelopment of microwave components is an inherently multi-objective task. This is especially pertinent to the design closure stage, i.e., final adjustment of geometry and/or material parameters carried out to improve the electrical performance of the system. The design goals are often conflicting so that the improvement of one normally leads to a degradation of others. Compact microwave passives constitute a representative case:...
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Integrating Statistical and Machine‐Learning Approach for Meta‐Analysis of Bisphenol A‐Exposure Datasets Reveals Effects on Mouse Gene Expression within Pathways of Apoptosis and Cell Survival
PublikacjaBisphenols are important environmental pollutants that are extensively studied due to different detrimental effects, while the molecular mechanisms behind these effects are less well understood. Like other environmental pollutants, bisphenols are being tested in various experimental models, creating large expression datasets found in open access storage. The meta‐analysis of such datasets is, however, very complicated for various...
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Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides
PublikacjaBy the reaction of urea or thiourea, acetylacetone and hydrogen halide (HF, HBr or HI), we have obtained seven new 4,6-dimethyl-2-pyrimido(thio)nium salts, which were characterized by single-crystal X-ray diffraction, namely, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bifluoride, C₆H₉N₂O⁺·HF₂⁻ or (dmpH)F₂H, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bromide, C₆H₉N₂O⁺·Br⁻ or (dmpH)Br, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium...
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Hydrophobic derivatives of 2-amino-2-deoxy-D-glucitol-6-phosphate: a newtype of D-glucosamine-6-phosphate synthase inhibitors with antifungal action.
PublikacjaDokonano syntezy szeregu N-acylowych i estrowych pochodnych 2-amino-2-deok-sy-glucitolo-6-fosforanu (ADGP) i zbadano ich aktywność przeciwgrzybową oraz wobec enzymów zaangażowanych we wczesne etapy biosyntezy chityny w komórkach grzybów. Wszystkie badane pochodne okazały się słabszymi inhibitorami enzymu syntezy GlcN-6-P aniżeli ADGP, ale niektóre z nich wykazywały znacznie wyższą aktywność przeciwgrzybową niż związek macierzysty....
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Combined thrust radial bearing of a submarine main shaft – Design and analysis of failure
PublikacjaThis paper presents an analysis of the combined thrust radial bearing of a submarine propulsion shaft. The lubrication system of the bearing is based on a fixed ring. The efficiency of the lubrication system depends on the shaft speed and temperature, which affects oil viscosity. In turn, the thrust bearing load also depends on the rotational speed of the shaft, because as the speed increases, the drag of the ship increases simultaneously,...
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Stability and limit load analysis of a cold-formed channel section column
PublikacjaThe paper presents stability and limit load analysis of a steel column 1440 mm high of a cold-formed channel section, subjected to a combination of compression and bending. Experimental results were compared to the resistance of a code procedure and to the outcome of numerical non-linear analysis. Comparison was made of numerical solutions by means of static (Riks) and dynamic (Explicit and Implicit) methods. Perfectly elastic...
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ZnO-decorated green-synthesized multi-doped carbon dots from Chlorella pyrenoidosa for sustainable photocatalytic carbamazepine degradation
PublikacjaThe promising green synthesis of carbon dots (CDs) from microalga Chlorella pyrenoidosa was achieved using simple hydrothermal and microwave-assisted methods. Doping of nanomaterials by nonmetals (N, S, and P) was confirmed by X-ray photoelectron spectroscopy (XPS), while the existence of metals in the CDs was confirmed by inductively coupled plasma optical emission spectroscopy (ICP-OES) and transmission electron microscopy (TEM),...
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Application of the finite element methods in long-term simulation of the multi-physics systems with large transient response differences
PublikacjaApplication of the Finite Element Method (FEM) and the Multibody Dynamics Method allows analyzing of complex physical systems. Complexity of the system could be related both to the geometry and the physical description of phenomenon. The metod is the excellent tool for analyzing statics or dynamics of the mechanical systems, and permits tracking of Multi Body System (MBS) transient response for the long-term simulations and application...
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublikacjaBecause of high stability and slow unfolding rates of G-quadruplexes (G4), cells have evolved specialized helicases that disrupt these non-canonical DNA and RNA structures in an ATP-dependent manner. One example is DHX36, a DEAH-box helicase, which participates in gene expression and replication by recognizing and unwinding parallel G4s. Here, we studied the molecular basis for the high affinity and specificity of DHX36 for parallel-type...
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Synteza małocząsteczkowych pochodnych 2-pirydonu wykazujących właściwości przeciwnowotworowe oraz przeciwbakteryjne
PublikacjaTematyka i cel badawczy niniejszej rozprawy doktorskiej dotyczy syntezy chemicznej związków heterocyklicznych z grupy 2-pirydonu wykazujących potencjał przeciwbakteryjny oraz przeciwnowotworowy. W części teoretycznej podjęto tematykę znanych fluorochinolonów oraz chinolonów wykazujących aktywność przeciwnowotworową. Dodatkowo przedstawiono nowe metody syntezy chinolonów niewymagające stosowania katalizatorów metali przejściowych...
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Rapid Design Centering of Multi-Band Antennas Using Knowledge-Based Inverse Models and Response Features
PublikacjaAccounting for manufacturing tolerances as well as uncertainties concerning operating conditions and material parameters is one of the important yet often neglected aspects of antenna development. Appropriate quantification of uncertainties allows for estimating the fabrication yield but also to carry out robust design (e.g., yield maximization). For reliability reasons, statistical analysis should be executed at the accuracy level...
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Pareto Ranking Bisection Algorithm for EM-Driven Multi-Objective Design of Antennas in Highly-Dimensional Parameter Spaces
PublikacjaA deterministic technique for fast surrogate-assisted multi-objective design optimization of antennas in highly-dimensional parameters spaces has been discussed. In this two-stage approach, the initial approximation of the Pareto set representing the best compromise between conflicting objectives is obtained using a bisection algorithm which finds new Pareto-optimal designs by dividing the line segments interconnecting previously...
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Spirala 2 (wg Ulama) z cyklu No Quick Response
PublikacjaSpirala 2 (wg Stanisława Ulama) Obraz odnosi się do modelu matematycznego nazywanego Spiralą Ulama, który polega na okrężnym zapisie w polu kwadratu liczb naturalnych od 1 do nieskończoności. Taki zapis uwidacznia szczególne wzory, które powstają z położenia liczb pierwszych (niepodzielnych). Liczby pierwsze tworzą ciągi mniej lub bardziej regularne w układzie diagonalnym, poziomym i pionowym. W obrazie Spirala 2 wykorzystany...
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Ln2(SeO3)2(SO4)(H2O)2 (Ln=Sm, Dy, Yb): A Mixed‐Ligand Pathway to New Lanthanide(III) Multifunctional Materials Featuring Nonlinear Optical and Magnetic Anisotropy Properties
PublikacjaBottom-up assembly of optically nonlinear and magnetically anisotropic lanthanide materials involving precisely placed spin carriers and optimized metal-ligand coordination offers a potential route to developing electronic architectures for coherent radiation generation and spin-based technologies, but the chemical design historically has been extremely hard to achieve. To address this, we developed a worthwhile avenue for creating...
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Multi-nodal PWR reactor model — Methodology proposition for power distribution coefficients calculation
PublikacjaIn the paper the multi-nodal Pressurized Water Reactor (PWR) model called Mann’s model is presented. This models is used for modelling purposes of the heat transfer from fuel to coolant in reactor core. The authors expand widely used in literature approach by defining additional coefficients for the heat transfer model. These parameters approximate the power generation distribution in the PWR reactor core according to the to the...
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Optimal shape design of multi-element trawl-doors using local surrogate models
PublikacjaTrawl-doors have a large influence on the fuel consumption of fishing vessels. Design and optimiza-tion of trawl-doors using computational models are a key factor in minimizing the fuel consump-tion. This paper presents an optimization algorithm for the shape design of trawl-door shapes using computational fluid dynamic (CFD) models. Accurate CFD models are computationally expensive. Therefore, the direct use of traditional optimization...
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Rapid Multi-band Patch Antenna Yield Estimation Using Polynomial Chaos-Kriging
PublikacjaYield estimation of antenna systems is important to check their robustness with respect to the uncertain sources. Since the Monte Carlo sampling-based real physics simulation model evaluations are computationally intensive, this work proposes the polynomial chaos-Kriging (PC-Kriging) metamodeling technique for fast yield estimation. PC-Kriging integrates the polynomial chaos expansion (PCE) as the trend function of Kriging metamodel...
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Low-cost multi-objective optimization of antennas using Pareto front exploration and response features
PublikacjaIn the paper, a procedure for low-cost multi-objective optimization of antenna structures is presented. Our approach is based on exploration of the Pareto front representing the best possible trade-offs between conflicting objectives, here, the structure size and its electrical performance. Starting from the design representing the best in-band reflection level, subsequent Pareto-optimal designs are identified through local constrained...
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Molecular and structural basis of inner core lipopolysaccharide alterations in Escherichia coli: incorporation of glucuronic acid and phosphoethanolamine in the heptose region.
PublikacjaIt is well established that lipopolysaccharide (LPS) often carries nonstoichiometric substitutions in lipid A and in the inner core. In this work, the molecular basis of inner core alterations and their physiological significance are addressed. A new inner core modification of LPS is described, which arises due to the addition of glucuronic acid on the third heptose with a concomitant loss of phosphate on the second heptose. This...
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Detailed experimental investigations on frictional pressure drop of R134a during flow boiling in 5 mm diameter channel: The influence of acceleration pressure drop component =Études expérimentales détaillées sur la chute de pression frictionnelle du R134a lors de l'ébullition en écoulement dans un canal de 5 mm de diamètre : influence de la composante d'accélération de la chute de pression
PublikacjaThis article presents detailed two-phase diabatic pressure drop data for refrigerant R134a at a saturation pressure of 5.5 bar corresponding to the saturation temperature of 19.4 °C. Study cases have been set for a mass flux varying from 100 to 500 kg m−2 s−1. The obtained data are used as a validation of the void fraction literature models, a set of graphs shows comparisons, for a representative set of experimental conditions,...