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Search results for: casp, covid, ema, model accuracy, protein structure prediction, sars-cov-2
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The influence of dimensional accuracy on steel structures cost calculation
PublicationW referacie przedstawiono zależność pomiędzy wartością tolerancji a kosztami wytwarzania budowlanych konstrukcji stalowych. Opisano zasady klasyfikacji tolerancji prętowych konstrukcji stalowych z uwagi na porawny montaż konstrukcji wyrażony równaiem pętli montażowej. Przedstawiono podstawy analizy i syntezy tolerancji oraz zaproponowano nową formułę optymalizacji kosztów wytwarzania. Wskazano metody rozwiązania zadania optymalizacyjnego.
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Mobile indicators in GIS and GPS positioning accuracy in cities
PublicationThe publication describes the possible use of tele-geoprocessing as a synergy of modern IT solutions, telecommunications and GIS algorithms. The paper presents a possibility of urban traffic monitoring with the use of mobile GIS indicators of dedicated monitoring system designed for taxi corporation. The system is based on a stationary and mobile software package. The optimal and minimal assumptions for the monitoring of urban...
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Accuracy improvement of bulk optical polarization interferometric sensors
PublicationW artykule przedstawiono optyczne czujniki wykorzystujące interferometrię polaryzacyjną. Omówiono czynniki obniżające ich dokładność pomiaru. Zaprezentowano metodę obróbki sygnału,która umożliwia częściową eliminację wpływu tych czynników i nową implementację tej metody, wykorzystującą układ analogowy o znacznie zmniejszonej nieliniowości.
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Increasing the accuracy of time-varied-gain in digital echosounders
PublicationW artykule przedstawiono problematykę związaną z realizacją precyzyjnej korekcji kompensującej tłumienie dźwięku w wodzie w zastosowaniu do echosond cyfrowych. Pokazano również, że typowo stosowana korekcja prowadzi do kilku decybelowych błędów dla pomiarów realizowanych w wodach płytkich.
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Structure and thermal expansion of liquid bismuth
PublicationExperimental structural data for liquid Bi were used for estimation of the main structure parameters as well as the thermal expansion coefficient both in supercooled and superheated temperature ranges. It was shown that the equilibrium melt had a positive thermal expansion coefficient within a temperature range upon melting and a negative one at higher temperatures. The former was related to structure changes upon melting, whereas...
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Nitrogen mass balance and mathematical model of a Structured- Bed Reactor (SBRRIA)
PublicationAn up-flow structured-bed reactor subjected to recirculation and intermittent aeration (SBRRIA) was operated under varying influent conditions. The influent COD/N ratio was adjusted by maintaining a stable organic loading rate (average of 1.07 kgCOD m-3 d-1) and changing the nitrogen loading rate from 0.1 to 0.4 kg N m-3. Therefore, three different COD/N ratios were tested: 9.7±1 (Scenario 1); 7.6±1 (Scenario 2) and 2.9±1 (Scenario...
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Texture or Linker? Competitive Patterning of Receptor Assembly toward Ultra-Sensitive Impedimetric Detection of Viral Species at Gold-Nanotextured Titanium Surfaces
PublicationIn this work, we study the electrodes with a periodic matrix of gold particles pattered by titanium dimples and modified by 3-mercaptopropionic acid (MPA) followed by CD147 receptor grafting for specific impedimetric detection of SARS-CoV-2 viral spike proteins. The synergistic DFT and MM/MD modeling revealed that MPA adsorption geometries on the Au–Ti surface have preferential and stronger binding patterns through the carboxyl...
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PREDICTION OF SHIP MOTIONS IN IRREGULAR WAVES BASED ON RESPONSE AMPLITUDE OPERATORS EVALUATED EXPERIMENTALLY IN NOISE WAVES
PublicationThe most common methods for predicting ship roll motions in a specified sea state are direct measurements of motions in a representative irregular wave realisation (time domain) or calculations of motions from response amplitude operators (RAOs) in the frequency domain. The result of the first method is valid only for the tested sea state, whilst the second method is more flexible but less accurate. RAO-based predictions are calculated...
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Air flow phenomena in the model of the blind drift
PublicationIn the presented paper, Particle Image Velocimetry (PIV) has been used to investigate flow pattern and turbulent structure in the model of blind drift. The presented model exist in mining, and has been analyzed to resolve ventilation issues. Blind region is particularly susceptible to unsafe methane accumulation. The measurement system allows us to evaluate all components of the velocity vector in channel cross-section simultaneously....
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Synthesis, crystal structure and cytotoxic activity of ruthenium(II) piano-stool complex with N,N-chelating ligand
PublicationA mononuclear compound of the general formula [(η6-p-cymene)RuIICl(2,2′-PyBIm)]PF6 has been synthesized from a bidentate N,N-donor ligand, viz. 2,-(2′-pyridyl)benzimidazole (2,2′-PyBIm) and the corresponding chloro-complex [(η6-p-cymene)Ru(μ-Cl)Cl]2 (precursor). The isolated coordination compound was characterized by IR, UV–vis and 1H, 13C NMR spectroscopies. The single crystal X-ray analysis of the complex reveals that the asymmetric...
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Estimation and Prediction of Vertical Deformations of Random Surfaces, Applying the Total Least Squares Collocation Method
PublicationThis paper proposes a method for determining the vertical deformations treated as random fields. It is assumed that the monitored surfaces are subject not only to deterministic deformations, but also to random fluctuations. Furthermore, the existence of random noise coming from surface’s vibrations is also assumed. Such noise disturbs the deformation’s functional models. Surface monitoring with the use of the geodetic levelling...
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Model zaangażowania w relacji usługodawca-klient
PublicationW niniejszej monografii przedstawiono rozwiązania pozwalające lepiej zrozumieć złożoność relacji występujących pomiędzy usługodawcami a klientami oraz metody, które pozwalają tę wiedzę wykorzystać w doskonaleniu procesów organizacji usługowych. Monografia podejmuje problem kształtowania zaangażowania na styku usługodawca–klient jako wstępnego i koniecznego warunku rozwijania relacji w usługach. Opierając się na klasycznej drabinie...
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Synthesis of 3-(2-Alkylthio-4-chloro-5-methylbenzenesulfonyl)-2-(1-phenyl-3-arylprop-2-enylideneamino)guanidine Derivatives with Pro-Apoptotic Activity against Cancer Cells
PublicationThe untypical course of reaction between chalcones and benzenesulfonylaminoguanidines led to the new 3-(2-alkylthio-4-chloro-5-methylbenzenesulfonyl)-2-(1-phenyl-3-arylprop-2- enylideneamino)guanidine derivatives 8–33. The new compounds were tested in vitro for their impact on the growth of breast cancer cells MCF-7, cervical cancer cells HeLa and colon cancer cells HCT-116 by MTT assay. The results revealed that the activity of...
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The homometallic warwickite V 2 OBO 3
PublicationThe synthesis, structure and elementary magnetic characterization of the homometallic warwickite V2OBO3 are reported. The material adopts the orthorhombic warwickite structure type at room temperature, space group Pnma (No. 62) with lattice parameters a = 9.2317(1) Å, b = 3.1172(1) Å, and c = 9.5313(1) Å. Temperature-dependent magnetic susceptibility, electrical resistivity, and specific heat measurements show anomalies near 35 K,...
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Implementation of Molecular Dynamics and Its Extensions with the Coarse-Grained UNRES Force Field on Massively Parallel Systems: Toward Millisecond-Scale Simulations of Protein Structure, Dynamics, and Thermodynamics
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Subsoil degradation effect in reliability analysis of the jack-up platform structure
PublicationStructural reliability analysis is considered, by FORM and SORM applied to a certain idealized soil-platform structure interaction problem due to cyclic water wave and wind loads. Wave and wind loads are random variables, whereas dead load is deterministic. Load parameters are typical for storm conditions in the Baltic Sea. The soil-structure interaction is idealized as a set of linear translational and rotational springs. Due...
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The Weibull model of the multipath fading channel
Open Research DataThe dataset contains the results of simulations that are part of the research on modelling the multipath fading in the communication channel. The Weibull fading envelope is generated using the Monte-Carlo simulation (MCS) in the LabVIEW programming environment.
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The influence of Be addition on the structure and thermal properties of alkali-silicate glasses
PublicationBe-Na-(Li)-Si oxide glasses containing up to 15 mol% of BeO were prepared. Their structure was characterized by X-ray powder diffraction and Raman as well as infrared spectroscopic techniques, while their chemical compositions were examined by Inductively Coupled Plasma Optical Emission Spectrometry. All materials were found to be amorphous and contain Al contaminations from minor dissolution of the alumina crucibles. The results...
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Bimodal deep learning model for subjectively enhanced emotion classification in films
PublicationThis research delves into the concept of color grading in film, focusing on how color influences the emotional response of the audience. The study commenced by recalling state-of-the-art works that process audio-video signals and associated emotions by machine learning. Then, assumptions of subjective tests for refining and validating an emotion model for assigning specific emotional labels to selected film excerpts were presented....
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Comparative pharmacodynamic analysis of imidazoline compounds using rat model of ocular mydriasis with a test of quantitative structure–activity relationships
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Hybrid Reduced Model of Continuous System
PublicationThe paper introduces an alternative method of modelling and modal reduction of continuous systems. Presented method is a hybrid one. It combines the advantages of modal decomposition method and the rigid finite element method. In the proposed method continuous structure is divided into one-dimensional continuous elements. For each 1D element modal decomposition and reduction is applied. Interactions between substructures are...
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Modeling and Accuracy Assessment of Determining the Coastline Course Using Geodetic, Photogrammetric and Satellite Measurement Methods: Case Study in Gdynia Beach in Poland
PublicationThe coastal environment represents a resource from both a natural and economic point of view, but it is subject to continuous transformations due to climate change, human activities, and natural risks. Remote sensing techniques have enormous potential in monitoring coastal areas. However, one of the main tasks is accurately identifying the boundary between waterbodies such as oceans, seas, lakes or rivers, and the land surface....
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Superconductivity in a new intermetallic structure type based on endohedral Ta@Ir7Ge4 clusters
PublicationWe report the observation of superconductivity at a temperature near 3.5 K for the previously unreported compound TaIr2Ge2. In addition to being a superconductor, this material displays a new crystal structure type that contains endohedral clusters, as determined by single-crystal x-ray diffraction structure refinement; the structure is more complex than those of the commonly observed tetragonal 122 intermetallic phases. Despite...
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OBTAINING FLUID FLOW PATTERN FOR TURBINE STAGE WITH NEURAL MODEL.
PublicationIn the paper possibility of applying neural model to obtaining patterns of proper operation for fluid flow in turbine stage for fluid-flow diagnostics is discussed. Main differences between Computational Fluid Dynamics (CFD) solvers and neural model is given, also limitations and advantages of both are considered. Time of calculations of both methods was given, also possibilities of shortening that time with preserving the accuracy...
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Objectivity in the non-Markovian spin-boson model
PublicationObjectivity constitutes one of the main features of the macroscopic classical world. An important aspect of the quantum-to-classical transition issue is to explain how such a property arises from the microscopic quantum theory. Recently, within the framework of open quantum systems, there has been proposed such a mechanism in terms of the so-called spectrum broadcast structures. These are multipartite quantum states of the system...
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Prediction of the stability during optimal control of the 3-wheel mobile platform
PublicationW pracy przedstawiono metodę badania stabilności sterowania optymalnego 3-kołową platformą mobilną podczas realizacji zadanej trajektorii ruchu. Badany robot posiada więzy nieholonomiczne. Model matematyczny robota 3-kołowego opisano za pomocą skończonej liczby nieliniowych równań różniczkowych. Stąd, prognozowanie ruchu takiego obiektu wymaga zastosowania efektywnych algorytmów.
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Fuctional structure of diagnostic system for wheeled tractors
PublicationAn application of computer controlled fuel injection systems in vehicle engines and growing demands concerning toxic substances emission and fuel consumption was a main reason for OBD (On Board Diagnosis) development. In spite of a great technological development, only some tractors are equipped in diagnostic systems. On board diagnosis is strongly connected with emission demands and does not concern other important vehicle functions.In...
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On the derivatives $\partial^{2}P_{\nu}(z)/\partial\nu^{2}$ and $\partial Q_{\nu}(z)/\partial\nu$ of the Legendre functions with respect to their degrees
PublicationWe provide closed-form expressions for the degree-derivatives $[\partial^{2}P_{\nu}(z)/\partial\nu^{2}]_{\nu=n}$ and $[\partial Q_{\nu}(z)/\partial\nu]_{\nu=n}$, with $z\in\mathbb{C}$ and $n\in\mathbb{N}_{0}$, where $P_{\nu}(z)$ and $Q_{\nu}(z)$ are the Legendre functions of the first and the second kind, respectively. For $[\partial^{2}P_{\nu}(z)/\partial\nu^{2}]_{\nu=n}$, we find that % \begin{displaymath} \frac{\partial^{2}P_{\nu}(z)}{\partial\nu^{2}}\bigg|_{\nu=n} =-2P_{n}(z)\Li_{2}\frac{1-z}{2}+B_{n}(z)\ln\frac{z+1}{2}+C_{n}(z), \end{displaymath} % where...
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Model-free and Model-based Reinforcement Learning, the Intersection of Learning and Planning
PublicationMy doctoral dissertation is intended as the compound of four publications considering: structure and randomness in planning and reinforcement learning, continuous control with ensemble deep deterministic policy gradients, toddler-inspired active representation learning, and large-scale deep reinforcement learning costs.
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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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Structure of the US investment company industry over the period 2000 to 2017: substitution analysis
PublicationOver the last years the investment company industry has undergone deep transformation in the majority of the most advanced economies, including the United States. Traditional investment companies, such as mutual funds, have lost their market share to innovative exchange-traded funds (ETFs). The main distinctive features of ETFs are listing and trading in their units on the stock exchanges as well as lower costs for investors. The...
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The lemniscate knowledge flow model
PublicationKnowledge is seen as one of the main resources for organizations providing knowledge-intensive services. Therefore, sharing and reusing are the main goals of modern knowledge management (KM) approach, driven by information and communication technologies (ICT). However, one can ask for the details in order to provide means and tools to design and deploy environment able to fulfil these two goals. We observed that occurred interactions...
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Syntheses and structures of the first terminal phosphanylphosphido complex of hafnium [cp2hf(cl){η1-(me3si)p-p(net2)2}] and the firstzirconocene-phosphanylphosphinidene dimer [cp2zr{μ2-p-p(net2)2}2zrcp2]
PublicationReactions of (Et2N)2P-P(SiMe3)Li with [Cp2MCl2] (M= Zr, Hf) in toluene or pentane yield the related terminal phosphanylphosphido complexes [Cp2M(Cl){η1-(Me3Si)P-P(NEt2)2}]. The solid statestructure of [Cp2Hf(Cl){η1-(Me3Si)P-P(NEt2)2}] was established by single crystal X-ray diffraction. The reaction of (Et2N)2P-P(SiMe3)Li with [Cp2ZrCl2] in THF or DME solutions leads to the formationof deep red crystals of the first neutral diamagnetic...
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Cobalt(II) tri-tert-butoxysialanethiolates.Synthesis, properties, crystal and molecular structures of [Co{SSi(OtBu)3}2(L)] and[Co{SSi(OtBu)3}2(L)2] type complexes with monodentate nitrogen ligands.
PublicationThe title heteroleptic neutral cobalt(II) tri-tert-butoxysilanethiolate complexes with monodentate nitrogen bases (L) as additional ligands have been prepared by the reactions of [Co{μ-SSi(OtBu)3}{SSi(OtBu)3}(NH3)]2 (1) with respective bases. For pyridine both types have been prepared...
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Highly selective impedimetric determination of Haemophilus influenzae protein D using maze-like boron-doped carbon nanowall electrodes
PublicationThis study reports a novel impedimetric immunosensor for protein D detection in purified and bacterial (Haemophilus influenzae, Hi) samples. The detection was based on antigen recognition by anti-protein D antibodies (apD) immobilised at the maze-like boron-doped carbon nanowall electrodes (B:CNW). The B:CNW electrodes were synthesised, and their surface was characterised by scanning electron microscopy (SEM) and X-ray photoelectron...
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Intercalation complex of imidazoacridinone C-1311, a potential anticancer drug, with DNA helix d(CGATCG)2: stereostructural studies by 2D NMR spectroscopy.
PublicationImidazoacridinone C-1311 (Symadex®) is a powerful antitumor agent, which successfully made its way through the Phase I clinical trials and has been recommended for Phase II few a years ago. It has been shown experimentally that during the initial stage of its action C-1311 forms a relatively stable intercalation complex with DNA, yet it has shown no base-sequence specificity while binding to DNA. In this paper, the d(CGATCG)2:C-1311...
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Prediction of the fatigue lifetime of PUR structural elements using a combined experimental-numerical approach
PublicationThis paper presents a method for estimating the fatigue life of polyurethane elastomeric components. A rubber replacement - polyurethane of hardness 80ShA commonly used in vibration damping systems, for example, in motor vehicle suspensions, was used for the study. A metal-rubber bushing component was selected for analysis, and numerical analysis was carried out along with a fatigue model proposal based on a modification of the...
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Posttraumatic Orbital Emphysema: A Numerical Model
PublicationOrbital emphysema is a common symptom accompanying orbital fracture. The pathomechanism is still not recognized and the usually assumed cause, elevated pressure in the upper airways connected with sneezing or coughing, does not always contribute to the occurrence of this type of fracture. Observations based on the finite model (simulating blowout type fracture) of the deformations of the inferior orbital wall after a strike in...
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Prediction of ship resistance with the use of Full-scale CFD simulations
PublicationIn recent years, the IMO has introduced new regulations to reduce the negative impact of ships on the natural environment. A particularly important step forcing technological innovations is the increasing requirement of ship energy efficiency. It is expressed by the Energy Efficiency Design Index (EEDI). Another important step towards green shipping is rising the required quality of fuel used for propulsion, so called Tier limits....
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Prediction of Deflagrative Explosions in Variety of Closed Vessels
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Pitch etection enhancement employing music prediction.
PublicationW artykule przedstawiono przegląd metod detekcji częstotliwości podstawowej we frazach muzycznych. Wskazano też główne problemy występujące w procesie estymacji dźwięków muzycznych. W celu zmniejszenia błędów oktawowych zaproponowano uwzględnienie w systemie predyktora neuronalnego. Opracowana przez Autorów metoda predykcji zdarzeń muzycznych wykorzystywana jest jako moduł wspomagający pracę systemu. Proponowane podejście pozwala...
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Creep failure prediction of pipelines in elevated temperature
PublicationW pracy omówiono zastoswanie modelu konstytutytwnego pełzania pozwalającego na analizę trwałości metalowych ruruciągów pracujących w wysokich temperaturach. Zaprezentowano wyniki obliczeń opartych na metodzie elementów skończonych (MES) wykonanych z wykorzystaniem procedur użytkownika w komercyjnym programie MES. Porównano wyniki dla dwóch typów 4-węzłowych elementów powłokowych.
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Prediction of Weld Deformations by Numerical Methods - Review
PublicationThe welding process is the basic technique of joining in the shipbuilding industry. This method generates welding distortions that cause a lot of problems during the manufacturing process due to both the time and cost of straightening as well as their influence on later stages of production. Proper preparation of welding processes plays a growing role in the shipbuilding industry and the development of calculating tools is being...
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A Stand for Measurement and Prediction of Scattering Properties of Diffusers
PublicationIn this paper we present a set of solutions which may be used for prototyping and simulation of acoustic scattering devices. A system proposed is capable of measuring sound field. Also a way to use an open source solution for simulation of scattering phenomena occurring in proximity of acoustic diffusers is shown. The result of our work are measurement procedure and a prototype of the simulation script based on FEniCS - an open source...
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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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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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Structures, physicochemical and cytoprotective properties of new oxidovanadium(IV) complexes -[VO(mIDA)(dmbipy)]·1.5H 2 O and [VO(IDA)(dmbipy)]·2H 2 O
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Optimization of Nuclear Power Share in the Structure of Electricity Production in Poland in Time Perspective by 2060
PublicationThe author of this paper presented the results of a system analysis using MARKAL model, aiming at the optimization of nuclear power share in power generation structure in Poland in time perspective by 2060. Optimization criterion is the minimization of the objective function, i.e. the total cost of energy system, taking into account constraints related to CO2, SOx and NOx emissions and obligatory shares of electricity from renewable...
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Metal ion directed template synthesis using 2-acetyl-1,3-indandione and ethylenediamine: steric and electronic restrictions
PublicationA template synthesis using 2-acetyl-1,3-indandione and ethylenediamine results in formation of octahedral Ni complex, whose crystal structure has been resolved using single crystal X-ray diffraction. The structure indicates that only exocyclic enolic oxygen atom of the triketone takes part in the condensation with ethylenediamine.
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OrphaGPT: An Adapted Large Language Model for Orphan Diseases Classification
PublicationOrphan diseases (OD) represent a category of rare conditions that affect only a relatively small number of individuals. These conditions are often neglected in research due to the challenges posed by their scarcity, making medical advancements difficult. Then, the ever-evolving medical research and diagnosis landscape calls for more attention and innovative approaches to address the complex challenges of rare diseases and OD. Pre-trained...