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Search results for: COVID-19 MOLECULAR DOCKING MULTI-EPITOPES VACCINESMM-PBSA/MM-GBSA ANALYSIS SARS-COV-2 VARIANTS
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New aspects in assessment of changes in width of subarachnoid space with near-infrared transillumination/backscattering sounding, part 2: clinical verification in the patient
PublicationW pracy przedstawiono porównanie wyników symulacji propagacji promieniowania z zakresu bliskiej podczerwieni z danymi uzyskanymi na drodze pomiarów wykonanych w warunkach klinicznych. Różnice między nimi nie przekraczały 4 dB, co potwierdziło słuszność przyjętych założeń w procesie symulacji. W pomiarach wykorzystano unikatowy zetstaw nadajników i odbiorników promieniowania podczerwonego, pozwalającego prowadzenie pomiarów transmisji...
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<i>catena</i>-Poly[[[bis(thiourea-κS)cadmium]-di-μ-thiocyanato-κ<sup>2</sup>N:S;κ<sup>2</sup>S:N] dihydrate]
PublicationTytułowy związek tworzy jednowymiarowy łańcuch na skutek występowania mostkujących grup SCN pomiędzy atomami kadmu. Atomy kadmu obsadzają krystalograficzne środki symetrii i są koordynowane oktaedrycznie (zdeformowany oktaedr) przez 2 atomy S i 2 atomy N z mostkujących ligandow SCN oraz przez 2 atomy S z dwóch cząsteczek tiomocznika. Upakowanie jest wspomagane przez dodatkowe wiązania międzycząsteczkowe OH...S, NH...O i NH...N....
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New PCR test for detection of Candida glabrata based on the molecular target chosen by the RAPD technique
PublicationRapid, reliable diagnosis is a necessary condition for the successful treatment of infections. Such diagnostic assays are continually being developed. #e paper presents a method for selecting the molecular target for PCR-based diagnostics based on the comparison of RAPD patterns. A sequence encoding Candida glabrata CBS138 hypothetical protein was selected. The limit of detection for PCR and real-time PCR reactions with DNA extracted...
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Thermodynamic analysis of the double Brayton cycle with the use of oxy combustion and capture of CO2
PublicationIn this paper, thermodynamic analysis of a proposed innovative double Brayton cycle with the use of oxy combustion and capture of CO2, is presented. For that purpose, the computation flow mechanics (CFM) approach has been developed. The double Brayton cycle (DBC) consists of primary Brayton and secondary inverse Brayton cycle. Inversion means that the role of the compressor and the gas turbine is changed and firstly we have expansion...
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The spectral finite element model for analysis of flexural-shear coupled wave propagation. Part 2: Delaminated multilayer composite beam
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Efficacy and safety of idelalisib in patients with relapsed, rituximab- and alkylating agent-refractory follicular lymphoma: a subgroup analysis of a phase 2 study
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Analysis of moisture conditions in the lowland areas using high resolution spectral data from the Sentinel-2 satellite and the GIS tools
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The spectral finite element model for analysis of flexural-shear coupled wave propagation. Part 2, Delaminated multilayer composite beam
PublicationW pracy przedstawiono, wykorzystując metodę elementów spektralnych, analizę wpływu delaminacji na propagację fali giętno-ścinającej w belce kompozytowej.
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On trees with double domination number equal to 2-domination number plus one
PublicationA vertex of a graph is said to dominate itself and all of its neighbors. A subset D subseteq V(G) is a 2-dominating set of G if every vertex of V(G)D is dominated by at least two vertices of D, while it is a double dominating set of G if every vertex of G is dominated by at least two vertices of D. The 2-domination (double domination, respectively) number of a graph G is the minimum cardinality of a 2-dominating (double dominating,...
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublicationThe 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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DYNWIR S-70 program for modal analysis of multisupported and multimass rotors
PublicationThe article provides a brief description of the program Dynwir-S-70 (currently being developed in the Rotor Dynamics and Slide Bearings Department in the Institute of Fluid-Flow Machinery Polish Academy of Sciences in Gdansk) which is a program for analysis of multi-supported and multi-mass rotors. Used algorithms and the construction of mass and stiffness matrix were presented. Damping matrix structure based on Rayleigh damping...
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Multi-criteria selection of hydraulic gates
PublicationSelekcja doboru zamknięcia wodnego stanowi podstawowy element w jego projektowaniu. Projektowanie zamknięć można rozważać jako problem krótkoterminowy (zamknięcie natychmiastowe wysokiej wody) jak i problem długoterminowy uwzględniający problemy rolnicze, ekologiczne i zmiany klimatu. W doborze rodzaju zamknięć wodnych należy uwzględnić wiele kryteriów w tym ekonomicznych, wykonawczych, ekologicznych i innych. W pracy przedstawiono...
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Cost minimisation in multi-interface networks
PublicationPraca dotyczy problemu minimalizacji energii poprzez selektywne odłączanie urządzeń komunikacyjnych w wielointerfejsowych sieciach bezprzewodowych w taki sposób, by zapewnić realizację wymaganego grafu połączeń. Sformułowano problem optymalizacyjny, podano wyniki dotyczące jego trudności i zaproponowano algorytmy optymalizacyjne.
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Modelling of Geared Multi-Rotor System
PublicationIn the paper the method of modelling a speed-varying geared rotor system is presented. The proposed approach enables us to obtain an accurate low-order lumped parameter representation of the investigated system. The final model consists of reduced modal models of an undamped beam/torsional shaft system as well as a spatially lumped model of other linear and nonlinear phenomena including gear mesh interaction.
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Multi-agent systems registration and maintenance of address mapping without agent self-registation
PublicationMonitoring of dynamic multi-agent systems, here agents are allowed to appear and disappear, and can migrate between network nodes is a complex tasks. Applying the traditional monitoring methods is not effective, as little can be assumed in advance about such environments. It is necessary to track changes in addressing and availability of agents to create and maintain mapping between agents and their network addresses. The...
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Performance assessment of OpenMP constructs and benchmarks using modern compilers and multi-core CPUs
PublicationConsidering ongoing developments of both modern CPUs, especially in the context of increasing numbers of cores, cache memory and architectures as well as compilers there is a constant need for benchmarking representative and frequently run workloads. The key metric is speed-up as the computational power of modern CPUs stems mainly from using multiple cores. In this paper, we show and discuss results from running codes such as:...
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On the ratio between 2-domination and total outer-independent domination numbers of trees
PublicationA 2-dominating set of a graph G is a set D of vertices of G such that every vertex of V(G)D has a at least two neighbors in D. A total outer-independent dominating set of a graph G is a set D of vertices of G such that every vertex of G has a neighbor in D, and the set V(G)D is independent. The 2-domination (total outer-independent domination, respectively) number of a graph G is the minimum cardinality of a 2-dominating (total...
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Effect of bio-polyol molecular weight on the structure and properties of polyurethane-polyisocyanurate (PUR-PIR) foams
PublicationThe increasing interest in polyurethane materials has raised the question of the environmental impact of these materials. For this reason, the scientists aim to find an extremely difficult balance between new material technologies and sustainable development. This work attempts to validate the possibility of replacing petrochemical polyols with previously synthesized bio-polyols and their impact on the structure and properties...
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Multi-core processing system for real-time image processing in embedded computer vision applications
PublicationW artykule opisano architekturę wielordzeniowego programowalnego systemu do przetwarzania obrazów w czasie rzeczywistym. Dane obrazu są przetwarzane równocześnie przez wszystkie procesory. System umożliwia niskopoziomowe przetwarzanie obrazów,np. odejmowanie tła, wykrywanie obiektów ruchomych, transformacje geometryczne, indeksowanie wykrytych obiektów, ocena ich kształtu oraz podstawowa analiza trajektorii ruchu. Ang:This paper...
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Rapid Multi-Criterial Antenna Optimization by Means of Pareto Front Triangulation and Interpolative Design Predictors
PublicationModern antenna systems are designed to meet stringent performance requirements pertinent to both their electrical and field properties. The objectives typically stay in conflict with each other. As the simultaneous improvement of all performance parameters is rarely possible, compromise solutions have to be sought. The most comprehensive information about available design trade-offs can be obtained through multi-objective optimization...
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Influence of an applied bearing system on behaviour of multi-span footbridge
PublicationThe cycle overpass in Gdynia is a box structure over 300 metres long, 10-span. It was opened for bicycle traffic in the second half of 2013. At the end of its construction, there was failure due to excessive horizontal displacement of the system. A number of bearings exceeded the range of permissible transverse shifts thus it was necessary to temporarily protect the spans from slipping. The FEM analysis of the original solution...
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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
PublicationOpracowanie 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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The Product of Matrix Metalloproteinase Cleavage of Doxorubicin Conjugate for Anticancer Drug Delivery: Calorimetric, Spectroscopic, and Molecular Dynamics Studies on Peptide–Doxorubicin Binding to DNA
PublicationMatrix metalloproteinases (MMPs) are extracellular matrix degradation factors, promoting cancer progression. Hence, they could provide an enzyme-assisted delivery of doxorubicin (DOX) in cancer treatment. In the current study, the intercalation process of DOX and tetrapeptide-DOX, the product of the MMPs' cleavage of carrier-linked DOX, into dsDNA was investigated using stationary and time-resolved fluorescence spectroscopy, UV-Vis...
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Improving the Quality of Magnetic Signature Reproduction by Increasing Flexibility of Multi-Dipole Model Structure and Enriching Measurement Information
PublicationThe paper presents the construction of a multi-dipole model that allows reproducing magneticsignatures of ferromagnetic objects. The virtual object used in the paper is an ellipsoid, which is the sourceof synthetic data. To make the situation more realistic, noise is added to the synthetic data. Two significantimprovements compared to previous work are presented. Three-axial magnetometers are introduced insteadof uniaxial magnetometers....
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Analysis
PublicationNew food products and diverse formulations containing the regulated steviol glycoside(s) as well as Stevia extracts or Stevia leaves have been brought on the global market. The upcoming multitude of such food products, but also their falsification and adulteration, does have impact on food analysis. Robust high-throughput methods that cope with different food matrices are required for food control to ensure food safety. The analysis...
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Efficient Multi-Fidelity Design Optimization of Microwave Filters Using Adjoint Sensitivity
PublicationA simple and robust algorithm for computationally efficient design optimiza-tion of microwave filters is presented. Our approach exploits a trust-region (TR)-based algorithm that utilizes linear approximation of the filter response obtained using adjoint sensitivity. The algorithm is sequentially executed on a family of electromagnetic (EM)-simulated models of different fidelities, starting from a coarse-discretization one, and...
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CFD COUPLING OF VOF MODEL WITH ARRHENIUS EQUATION FOR ANALYSIS OF LASER-INDUCED THERMAL DEACTIVATION OF E. COLI
PublicationUnderstanding bacterial deactivation at the micro-scale, particularly with E. coli, is crucial for advancing microbiology and has promising applications in biomedical research. In this research contribution, we investigate the thermal inactivation of E. coli bacteria using gold nanoparticles irradiated by a green 1-W laser within a microfluidic chamber. The microfluidic device comprises a fluidic chamber filled with a thin film...
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Variable-fidelity CFD models and co-Kriging for expedited multi-objective aerodynamic design optimization
PublicationPurpose – Strategies for accelerated multi-objective optimization of aerodynamic surfaces are investigated, including the possibility of exploiting surrogate modeling techniques for computational fluid dynamic (CFD)-driven design speedup of such surfaces. The purpose of this paper is to reduce the overall optimization time. Design/methodology/approach – An algorithmic framework is described that is composed of: a search space reduction,...
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Furan Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations
PublicationWe present a complete exploration of the different fragmentation mechanisms of furan (C4H4O) operating at low and high energies. Three different theoretical approaches are combined to determine the structure of all possible reaction intermediates, many of them not described in previous studies, and a large number of pathways involving three types of fundamental elementary mechanisms: isomerization, fragmentation, and H/H2 loss...
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Simple 2-D Direction-of-Arrival Estimation Using an ESPAR Antenna
PublicationIn 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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Chapter 19: Physical and mathematical models of losses in hydraulic motors
PublicationOpisano bilans energii w silniku hydraulicznym z uwzględnieniem strat mechanicznych, objętościowych i ciśnieniowych opisanych modelami fizycznymi i matematycznymi.
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Can the Pandemic Be a Catalyst of Spatial Changes Leading Towards the Smart City?
PublicationThe 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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Fast multi-objective design optimization of microwave and antenna structures using data-driven surrogates and domain segmentation
PublicationPurpose 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
PublicationIn 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
PublicationIn 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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CULTURAL DETERMINANTS OF EVIDENCE-BASED HUMAN RESOURCES MANAGEMENT: A CROSS-COUNTRY ANALYSIS
PublicationPurpose: 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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Screening of predicted synergistic multi-target therapies in glioblastoma identifies new treatment strategies
PublicationAbstract 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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Design-oriented computationally-efficient feature-based surrogate modelling of multi-band antennas with nested kriging
PublicationDesign 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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Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publicationabstract = { 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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Evaluation of possibilities of genotyping of Candida glabrata clinical isolates with RAPD-PCR method and microsatellite analysis
PublicationThe 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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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublicationCRISPR-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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The molecular function of kallikrein‐related peptidase 14 demonstrates a key modulatory role in advanced prostate cancer
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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
PublicationThree 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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Hierarchical 2-step neural-based LEGO bricks detection and labeling
PublicationLEGO 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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Study of Integer Spin S = 1 in the Polar Magnet β-Ni(IO3)2
PublicationPolar 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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Hydrophobic derivatives of 2-amino-2-deoxy-D-glucitol-6-phosphate: a newtype of D-glucosamine-6-phosphate synthase inhibitors with antifungal action.
PublicationDokonano 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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Elastoplastic nonlinear FEM analysis of FGM shells of Cosserat type
PublicationThe 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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Multi-criteria Robot Selection Problem for an Automated Single-Sided Lapping System
PublicationFlat 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...