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Search results for: CASP, COVID, EMA, MODEL ACCURACY, PROTEIN STRUCTURE PREDICTION, SARS-COV-2
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Synthesis and Structure of Novel Copper(II) Complexes with N,O- or N,N-Donors as Radical Scavengers and a Functional Model of the Active Sites in Metalloenzymes
PublicationToevaluatetheantioxidantactivityofpotentialsyntheticenzymemimetics,wepreparednewfivecopper(II)complexesviaaself‐assemblymethodandnamedthem[Cu(2‐(HOCH2)py)3](ClO4)2(1),[Cu(2‐(HOCH2)py)2(H2O)2]SiF6(2),[Cu2(2‐(HOCH2CH2)py)2(2‐(OCH2CH2)py)2](ClO4)2(3),[Cu(pyBIm)3](BF4)2∙1.5H2O(4)and[Cu(py2C(OH)2)2](ClO4)2(5).ThesyntheticprotocolinvolvedN,O‐ orN,N‐donors:2‐(hydroxymethyl)pyridine(2‐(HOCH2)py),2‐(hydroxyethyl)pyridine(2‐(HOCH2CH2)py),2‐(2‐pyridyl)benzimidazole(pyBIm),di(2‐pyridyl)ke‐tone(py2CO).TheobtainedCu(II)complexeswerefullycharacterisedbyelementalanalysis,FTIR,EPR,UV‐Vis,single‐crystalX‐raydiffractionandHirshfeldsurfaceanalysis.Crystallographicandspectroscopicanalysesconfirmedchromophoresofbothmonomeric({CuN3O3}(1),{CuN2O4}(2),{CuN6}(4),{CuN4O2}(5))anddimericcomplex({CuN2O3}(3)).Mostoftheobtainedspeciespos‐sessedadistortedoctahedralenvironment,exceptdimer3,whichconsistedoftwocoppercentreswithsquarepyramidalgeometries.Thewater‐solublecompounds(1,3and5)wereselectedforbiologicaltesting.Theresultsofthestudyrevealedthatcomplex1insolutionsdisplayedbetterradicalscavengingactivitythancomplexes3,5andfreeligands.Therefore,complex1hasbeenselectedforfurtherstudiestotestitsactivityasanenzymemimetic.Thechosencompoundwastestedontheerythrocytelysateoftwogroupsofpatientsafterundergoingchemotherapyandchemoradiotherapy.Theeffectofthetestedcompound(1)onenzymeactivitylevels(TAS,SODandCAT)suggeststhattheselectedcomplexcanbetreatedasafunctionalmimeticoftheenzymes.
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Structure and electrochemical reactivity of 3-[tris(2-methoxyethoxy)silyl]-propanethiol adsorbed on silver surface
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Research and Analysis of Accuracy of Location Estimation in Inertial Navigation System
PublicationIn the article the research and analysis of digital signal processing and its influence on accuracy of location estimation in developed inertial navigation system was presented. The purpose of the system is to localize moving people in indoor environment. During research a measuring unit for recording selected movement parameters was made. In the article were also described author’s inertial navigation algorithms.
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ANALYZING TITLES OF ECONOMY NEWS TO UNDERSTAND IMPACT OF COVID-19 ON ECONOMICAL SITUATION
PublicationCovid-19 affected the whole world in a short time, causing serious panic and uncertainty in society. Because it was an unprecedented disease, the medical community has worked hard to find out how to deal with it, and it continues to do so. The rapid spread of the disease, the shortage of hospital capacity and the increase in deaths drove the whole world to a closure, so to speak. In this time period, life in the world came to a...
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[N,N'-Bis(2,6-diisopropylphenyl)pentane-2,4-diamine(1-)-2[kappa]2N,N']-[mu]2-chlorido-1:2[kappa]2Cl:Cl-chlorido-2[kappa]Cl-bis(1,2-dimethoxyethane-1[kappa]2O,O')iron(II)lithium
PublicationIn the title compound, [FeLi(C29H41N2)Cl2(C4H10O2)2], theFeII atom is coordinated by two N and two Cl atoms,generating a distorted FeN2Cl2 tetrahedral geometry. Additionally,one of the chloride atoms bridges to a lithium ion,which is solvated by two dimethoxyethane molecules and iscoordinated in a distorted trigonal-bipyramidal environment.The central Fe, Cl (*2) and Li atoms are coplanar with amaximum deviation of 0.034 A ° .
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Depth Determination Accuracy of the Modified Prony Method in a Swath Mapping Application
PublicationThis article presents the performance of the modified Prony method in a swath mapping application. Depth determination accuracy is assessed by processing raw signal acquired by an EdgeTech 6205 swath bathymetry system over flat seafloor. An updated version of the method, proposed previously by the authors, is used to determine the number of signal echoes. The number of signal echoes is essential for performing the low-rank approximation...
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Optimized Deep Learning Model for Flood Detection Using Satellite Images
PublicationThe increasing amount of rain produces a number of issues in Kerala, particularly in urban regions where the drainage system is frequently unable to handle a significant amount of water in such a short duration. Meanwhile, standard flood detection results are inaccurate for complex phenomena and cannot handle enormous quantities of data. In order to overcome those drawbacks and enhance the outcomes of conventional flood detection...
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"Creating a numerical model of noise conditions based on the analysis of traffic volume changes in cities with low and medium structure.
PublicationThe subject of this research study is to analyze noise conditions of the selected area in the city of Gdańsk using data related to traffic volume changes during a day. This is because daily distribution of noise levels is much more helpful for noise control and reduction than traditional maps with Lden levels indicated. Calculations are made with the use of a numerical model developed at the Gdansk Univ. of Technology and implemented...
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"Creating a numerical model of noise conditions based on the analysis of traffic volume changes in cities with low and medium structure.
PublicationThe subject of this research study is to analyze noise conditions of the selected area in the city of Gdańsk using data related to traffic volume changes during a day. This is because daily distribution of noise levels is much more helpful for noise control and reduction than traditional maps with Lden levels indicated. Calculations are made with the use of a numerical model developed at the Gdansk Univ. of Technology and implemented...
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Surrogate Modeling and Optimization Using Shape-Preserving Response Prediction: A Review
PublicationComputer simulation models are ubiquitous in modern engineering design. In many cases, they are the only way to evaluate a given design with sufficient fidelity. Unfortunately, an added computa-tional expense is associated with higher fidelity models. Moreover, the systems being considered are often highly nonlinear and may feature a large number of designable parameters. Therefore, it may be impractical to solve the design problem...
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Evaluation of the prediction ability of air pollutants based on the electronic nose responses
PublicationElectronic noses are able to perform on-line measurements of the toxic volatile compounds in air. Due to their low cost and compact size they can be placed in the areas exposed to pollution, outside the laboratory. Those advantages, on the other side, force the need for development of the reliable sensors data analysis procedures. One of the most important issues connected with electronic noses is the lack of stability of the gas...
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Examining Influence of Distance to Microphone on Accuracy of Speech Recognition
PublicationThe problem of controlling a machine by the distant-talking speaker without a necessity of handheld or body-worn equipment usage is considered. A laboratory setup is introduced for examination of performance of the developed automatic speech recognition system fed by direct and by distant speech acquired by microphones placed at three different distances from the speaker (0.5 m to 1.5 m). For feature extraction from the voice signal...
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Sampling-based novel heterogeneous multi-layer stacking ensemble method for telecom customer churn prediction
PublicationIn recent times, customer churn has become one of the most significant issues in business-oriented sectors with telecommunication being no exception. Maintaining current customers is particularly valuable due to the high degree of rivalry among telecommunication companies and the costs of acquiring new ones. The early prediction of churned customers may help telecommunication companies to identify the causes of churn and design...
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2-bondage in graphs
PublicationA 2-dominating set of a graph G=(V,E) is a set D of vertices of G such that every vertex of V(G)D has at least two neighbors in D. The 2-domination number of a graph G, denoted by gamma_2(G), is the minimum cardinality of a 2-dominating set of G. The 2-bondage number of G, denoted by b_2(G), is the minimum cardinality among all sets of edges E' subseteq E such that gamma_2(G-E') > gamma_2(G). If for every E' subseteq E we have...
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Determinants of COVID-19 Impact on the Private Sector: A Multi-Country Analysis Based on Survey Data
PublicationOur paper aims to investigate the impact of COVID‐19 on private sector companies in terms of sales, production, finance and employment. We check whether the country and industry in which companies operate, government financial support and loan access matter to the behaviour and performances of companies during the pandemic. We use a microdata set from a worldwide survey of more than 15,729 companies conducted between April and...
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Methods of Artificial Intelligence for Prediction and Prevention Crisis Situations in Banking Systems
PublicationIn this paper, a support vector machine has been studied due to prediction of bank crisis. To prevent outcomes of crisis situations, artificial neural networks have been characterized as applied to stock market investments, as well as to test the credibility of the bank's customers. Finally, some numerical experiments have been presented.
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Worm Gear Drives with Improved Kinematic Accuracy
PublicationThis paper presents the fundamentals of the design and applications of new worm gear drive solutions, which enable the minimisation of backlash and are characterised by higher kinematic accuracy. Different types of worm surfaces are briefly outlined. Technological problems concerning the principles of achieving a high degree of precision in machining are also described. Special attention is paid to the shaping of conical helical...
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Changes in Gene and Protein Expression of Metalloproteinase-2 and -9 and Their Inhibitors TIMP2 and TIMP3 in Different Parts of Fluoride-Exposed Rat Brain
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Motion Trajectory Prediction in Warehouse Management Systems: A Systematic Literature Review
PublicationBackground: In the context of Warehouse Management Systems, knowledge related to motion trajectory prediction methods utilizing machine learning techniques seems to be scattered and fragmented. Objective: This study seeks to fill this research gap by using a systematic literature review approach. Methods: Based on the data collected from Google Scholar, a systematic literature review was performed, covering the period from 2016...
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Prediction of fracture toughness in fibre-reinforced concrete, mortar, and rocks using various Machine learning techniques
PublicationMachine Learning (ML) method is widely used in engineering applications such as fracture mechanics. In this study, twenty different ML algorithms were employed and compared for the prediction of the fracture toughness and fracture load in modes I, II, and mixed-mode (I-II) of various materials, including fibre-reinforced concrete, cement mortar, sandstone, white travertine, marble, and granite. A set of 401 specimens of “Brazilian...
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METHOD FOR SHIP'S ROLLING PERIOD PREDICTION WITH REGARD TO NON-LINEARITY OF GZ CURVE
PublicationThe paper deals with the problem of prediction of the rolling period. A special emphasis is put on the practical application of the new method for rolling period prediction with regard to non-linearity of the GZ curve. The one degree-of-freedom rolling equation is applied with using the non-linear stiffness moment and linear damping moment formulas. A number of ships are considered to research the discrepancies between the pending...
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Reactions of R<sub>2</sub>P-P(SiMe<sub>3</sub>)Li with [(R'<sub>3</sub>P)<sub>2</sub>PtCl<sub>2</sub>]. A General and Efficient Entrance to Phosphanylphosphinidene Complexes of Platinum. Syntheses and Structures of [(η<sub>2</sub>-P=P<sup>i</sup>Pr<sub>2</sub>)Pt(p-Tol<sub>3</sub>P)<sub>2</sub>], [(η<sub>2</sub>-P=P<sup>t</sup>Bu<sub>2</sub>)Pt(p-Tol<sub>3</sub>P)<sub>2</sub>], [{η<sub>2</sub>-P=P(N<sup>i</sup>Pr<sub>2</sub>)2}Pt(p-Tol<sub>3</sub>P)<sub>2</sub>] and [{(Et<sub>2</sub>PhP)<sub>2</sub>Pt}<sub>2</sub>P<sub>2</sub>].
PublicationReakcje pochodnych litowych difosfanów R2P-P(SiMe3)Li z (R'3P)2PtCl2 zachodzą łatwo i prowadzą do wytworzenia bocznie (side-on) związanych fosfanofosfinidenowych kompleksów platyny [(η2-P=PR2)Pt(PR'3)2] (dla R=tBu, iPr, Et2N, iPr2N). Reakcja Ph2P-P(SiMe3)Li...
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Simplified, multiregional fuzzy model of a nuclear power plant steam turbine
PublicationPower systems, including steam turbines and synchronous generators, are complex nonlinear systems with parameters varying over time. The paper presents the developed simplified, multiregional fuzzy model of the steam turbine of a nuclear power plant turbine generator set and compares the results with a full nonlinear model and commonly used linear input-output model of a steam turbine. The proposed model consist of series of linear...
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Influence of Thermal Imagery Resolution on Accuracy of Deep Learning based Face Recognition
PublicationHuman-system interactions frequently require a retrieval of the key context information about the user and the environment. Image processing techniques have been widely applied in this area, providing details about recognized objects, people and actions. Considering remote diagnostics solutions, e.g. non-contact vital signs estimation and smart home monitoring systems that utilize person’s identity, security is a very important factor....
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How can Systems Thinking Help Us Handling the COVID-19 Crisis?
PublicationPurpose: COVID-19 pandemic outbreak remains one of the most influential events in the global economy over the recent years. While being primarily public health-related, it has a tremendous impact on many other aspects, such as public transport, education, and business management. Many businesses were forced to introduce rapid changes to their business models in order to survive. The aim of this paper is to show the complexity and...
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3-[(E)-2-(5,7-dichloro-8-hydroxyquinolin-2-yl)vinyl]-4-hydroxyphenyl acetate
PublicationTytułowy związek otrzymano w reakcji 2,5 dihydroksybenzaldehydu z równomolową ilością 5,7-dichloro-2-metylochinolin-8-olu. Strukturę C19H13Cl2NO4 wyznaczono metodą rentgenowskiej analizy strukturalnej. Zawarte w komórce elementarnej cząsteczki posiadają konfiguracje E a długości wiązań C=C wynoszą w tym przypadku C10-C11 1.328(3) Å oraz C29-C30 1.330(3) Å. Cząsteczki otrzymanego związku stabilizowane są przez układ...
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ColorNephroNet: Kidney tumor malignancy prediction using medical image colorization
PublicationRenal tumor malignancy classification is one of the crucial tasks in urology, being a primary factor included in the decision of whether to perform kidney removal surgery (nephrectomy) or not. Currently, tumor malignancy prediction is determined by the radiological diagnosis based on computed tomography (CT) images. However, it is estimated that up to 16% of nephrectomies could have been avoided because the tumor that had been...
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New propagation model for wireless monitoring systems in the container terminal environment
PublicationW artykule został poddany analizie problem szacowania tłumienia propagacyjnego na obszarze terminala kontenerowego. Została opisana kampania pomiarowa, której rezultatem było opracowanie nowego modelu propagacyjnego dla łącza radiowego pracującego w warunkach LOS i NLOS.
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Influence of a Radio Frequency on RF Fingerprinting Accuracy Based on Ray Tracing Simulation
PublicationIn this paper the influence of a radio signal frequency on performance of Indoor Positioning System based on fingerprinting has been examined using ray-tracing simulations. It has been simulated how spatial distribution of an RF signal strength change with the signal’s frequency. The results were used to show its’ impact on the behavior of localization algorithms that are employing RSS measurements to determine node’s position...
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High-accuracy polarimetric studies on lead germanate single crystals
PublicationA high-accuracy polarimetric technique has been used for the characterization of a lead germanate ferroelectric single crystal. The measurement results of the linear and circular birefringence in the [010] direction at a wavelength of 633 nm under the influence of an electric field are presented. Gyration–electric field hysteresis loops at alternative crystal positions in the polarization system have been used to determine the...
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Prediction of flow boiling heat transfer data for R134a, R600a and R290 in minichannels
PublicationIn the paper presented is the analysis of the results of calculations using a model to predict flow boiling of refrigerants such as R134a, R600a and R290. The latter two fluids were not used in development of model semiempirical correction. For that reason the model was verified with present experimental data. The experimental research was conducted for a full range of quality variation and a relatively wide range of mass velocity....
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Methodology of Selecting the Optimal Receptor to Create an Electrochemical Immunosensor for Equine Arteritis Virus Protein Detection
PublicationThe study reports a methodology of selecting the optimal receptor to create an electrochemical immunosensor for equine arteritis virus (EAV) protein detection. The detection was based on antigen recognition by antibodies immobilized on gold electrodes. Modification steps were controlled by electrochemical impedance spectroscopy and cyclic voltammetry measurements. In order to obtain the impedance immunosensor with the best parameters,...
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N-alkyl derivatives of 2-amino-2-deoxy-D-glucose
PublicationMono- i di-N-alkilowe pochodne 1,3,4,6-tetra-O-acetylo-2-amino-2-deoksy-beta-D-glukozy (alkil = metyl, etyl, propyl, butyl, pentyl, heksyl, benzyl) otrzymano w wyniku redukcyjnej alkilacji per-O-acetylo-D-glukozaminy. (N-etylo, N-propylo, N-butylo, N-pentylo, N-heksylo)-1,3,4,6-tetra-O-acetylo-2-amino-2-deoksy-beta-D-glukozy deacetylowano w celu podjęcia prób enzymatycznej fosforylacji. Wszystkie produkty scharakteryzowano za pomocą...
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Does pandemic denial help or harm? Belief in COVID-19 and experience of it affect psychological consequences of using neurotic defence mechanisms
PublicationObjective: The COVID-19 pandemic may activate thoughts of death, leading to aversive psychological states. In such situations, defence mechanisms emerge; however, their adaptability depends on many factors. The aim of the study was to investigate the relationship between neurotic defence style and depressive symptoms. We assumed that the sense of coherence underlies this correlation and investigated how both believing (or not)...
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Accurate modelling of microwave structures using shape-preserving response prediction
PublicationArtykuł prezentuje metodologię dokładnego modelowania struktur mikrofalowych. Jest to zmodyfikowana wersja techniki opartej na procedurze przewidywania odpowiedzi z zachowaniem kształtu (shape-preserving response prediction, SPRP), która oszacowuje odpowiedź struktury mikrofalowej otrzymanej poprzez kosztowną obliczeniowo symulację elektromagnetyczną za pomocą taniego obliczeniowo modelu tejże struktury. Modyfikacja polega na wykorzystaniu...
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Autonomous Ship Utility Model Parameter Estimation Utilising Extended Kalman Filter
PublicationIn this paper, a problem of autonomous ship utility model identification for control purposes is considered. In particular, the problem is formulated in terms of model parameter estimation (one-step-ahead prediction). This is a complex task due to lack of measurements of the parameter values, their time-variability and structural uncertainty introduced by the available models. In this work, authors consider and compare two utility...
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Methodology of Selecting the Optimal Receptor to Create an Electrochemical Immunosensor for Equine Arteritis Virus Protein Detection
PublicationThe study reports a methodology of selecting the optimal receptor to create an electrochemical immunosensor for equine arteritis virus (EAV) protein detection. The detection was based on antigen recognition by antibodies immobilized on gold electrodes. Modification steps were controlled by electrochemical impedance spectroscopy and cyclic voltammetry measurements. In order to obtain the impedance immunosensor with the best parameters,...
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Superheroes or Super Spreaders? The Impact of the COVID-19 Pandemic on Social Attitudes towards Nurses: A Qualitative Study from Poland
PublicationThe social perception of the nursing profession in Poland is profoundly affected by social stereotypes that may discourage young people from entering the profession and lead to prejudice towards nurses. During the COVID-19 pandemic, nurses gained visibility, which caused the social image of nurses to likewise grow. In this study, we explore nurses’ experiences with respect to how the COVID-19 pandemic influenced the social image...
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Effect of mesh deformation on the accuracy of 3D FEM electromagnetic analysis
PublicationIn this paper, the accuracy of 3D FEM electromagnetic simulations in parametric analysis using mesh deformation techniques is discussed. Mesh deformation techniques allow one to preserve the mesh topology while the geometry is changed. It is shown that the application of mesh deformation can provide accurate simulation results even for very large deformations. On the other hand, it is also shown that the technique has to be used...
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UAV Photogrammetry under Poor Lighting Conditions—Accuracy Considerations
PublicationThe use of low-level photogrammetry is very broad, and studies in this field are conducted in many aspects. Most research and applications are based on image data acquired during the day, which seems natural and obvious. However, the authors of this paper draw attention to the potential and possible use of UAV photogrammetry during the darker time of the day. The potential of night-time images has not been yet widely recognized,...
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Mask Detection and Classification in Thermal Face Images
PublicationFace masks are recommended to reduce the transmission of many viruses, especially SARS-CoV-2. Therefore, the automatic detection of whether there is a mask on the face, what type of mask is worn, and how it is worn is an important research topic. In this work, the use of thermal imaging was considered to analyze the possibility of detecting (localizing) a mask on the face, as well as to check whether it is possible to classify...
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The first compound with an unusual type of anion, [Li(SR)2]-:bis(µ2-aqua-d2)tetrakis(aqua-d2)]dilithium(I)bis[bis(tri-tert-butoxysilanethiolato-k2O,S)lithate(I)]dihydrate-d2
PublicationTytułowy związek [Li2(D2O)6][Li(C9H27SSiO3)2]2*2D2O, jest pierwszym związkiem z wiązaniem S-M (M-metal alkaliczny), zawierającym niespotykany typ anionu litanowego: [Li(SR)2]-,gdzie R=Si{OC{CH3)3}3. Centrum symetrii związku znajduję się pośrodku pierścienia Li2O2 wchodzącego w skład kationu. Wszystkie atomy litu budujące rdzenie kationów - LiO4 i anionów - LiO2S2, są czterokoordynacyjne. Jednoujemne aniony [Li(SR)2]- są dobrze...
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Influence of synthesis conditions on glass formation, structure and thermal properties in the Na 2 O-CaO-P 2 O 5 system doped with Si 3 N 4 and Mg
PublicationOxynitride phosphate glasses and glass-ceramics were prepared using new synthesis routes for phosphate glasses. Materials were melted from pre-prepared glass samples in the system Na-Ca-P-O with addition of Mg and/or Si3N4 powders under different preparation conditions. The melting process was conducted at 1000–1500 °C either under air or nitrogen atmosphere to obtain materials with different nitrogen content. Their topography...
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Prediction of Processor Utilization for Real-Time Multimedia Stream Processing Tasks
PublicationUtilization of MPUs in a computing cluster node for multimedia stream processing is considered. Non-linear increase of processor utilization is described and a related class of algorithms for multimedia real-time processing tasks is defined. For such conditions, experiments measuring the processor utilization and output data loss were proposed and their results presented. A new formula for prediction of utilization was proposed...
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Improving the accuracy of bearing in active sonar with cylindrical array using spectrum estimation.
PublicationThe articles presents a method for improving the accuracy of bearing in multibeam sonar with a cylindrical array. Based on a known spatial spectrum estimation technique, the method has been successfully used in linear array systems. Its accuracy of bearing is satisfactory and ensures a relatively low computational effort. The article discusses certain simplifications and assumptions to adapt the spatial spectrum estimation technique...
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Interplay between Structure and Charge as a Key to Allosteric Modulation of Human 20S Proteasome by the Basic Fragment of HIV-1 Tat Protein
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A Novel [4+2] Cycloaddition Reaction Involving Lawesson’s Reagent. Structure and Specific Fragmentations of a New Cyclic 1,2-Thiaphosphinane-4-one
PublicationA crude morpholine enamine of acetone treated with Lawesson’s reagent unexpectedly yielded a six-membered thiaphosphinane-4-one. This compound is the first example of a new class of heterocycles. It has been proven that it is formed from 4-methyl-2-morpholino-1,3-pentadiene which is usually present in crude morpholine enamine batches. A mechanism of this regioselective reaction was postulated and a characteristic chair-like conformation...
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Category-Based Workload Modeling for Hardware Load Prediction in Heterogeneous IaaS Cloud
PublicationThe paper presents a method of hardware load prediction using workload models based on application categories and high-level characteristics. Application of the method to the problem of optimization of virtual machine scheduling in a heterogeneous Infrastructure as a Service (IaaS) computing cloud is described.
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Algorithms for Ship Movement Prediction for Location Data Compression
PublicationDue to safety reasons, the movement of ships on the sea, especially near the coast should be tracked, recorded and stored. However, the amount of vessels which trajectories should be tracked by authorized institutions, often in real time, is usually huge. What is more, many sources of vessels position data (radars, AIS) produces thousands of records describing route of each tracked object, but lots of that records are correlated...
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Are stabilizing osmolytes preferentially excluded from the protein surface? FTIR and MD studies
PublicationInteractions between osmolytes and hen egg white lysozyme in aqueous solutions were studied by means of FTIR spectroscopy and molecular dynamics. A combination of difference spectra method and chemometric analysis of spectroscopic data was used to determine the number of osmolyte molecules interacting with the protein, and the preferential interaction coefficient in presented systems. Both osmolytes – L-proline and trimethylamine-N-oxide...