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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Dane BadawczeThe developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic...
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Excitation of Waves in a Dispersive Medium. Example of Flow of a Bubbly Liquid
PublikacjaThe excitation of wave motion by an external source and the interaction of modes inherent to a ow in a dispersive medium are considered. Dispersion is caused by the presence of gaseous bubbles in a liquid. A large variety of steady excited waveforms is possible when the exciting wave is also steady and propagates at a constant velocity. The velocities of the exciter and forced waves may be dierent. This leads to a variety of non-stationary...
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Modern Methods of Software Development
PublikacjaSoftware development methods consist of such activities like analysis, planning, development, testing, deployment, maintenance and retirement. All of them can be divided into two main categories - traditional and agile. The objective of this paper is to review some of the most popular traditional, agile and open source development methods. Special attention was paid to the common stages of all methods - testing and maintenance.
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IT Business Standards as an Ontology Domain
PublikacjaThe aim of this paper is to report a selection of Semantic Web aspects pertaining to ontology development activities in the domain of the IT business standard (TOGAF 9) such as formulating competency questions, conceptualization of the domain, resolution of the source knowledge deficiency and applying common design patterns in the OWL formalization. Authors also try to determine target groups that may benefit from such ontology...
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POLAND European Union
PublikacjaThe International Society of City and Regional Planners (ISOCARP) took an initiative to illustrate the processes of the spatial development of the member countries in the International Manual of Planning Practice (IMPP). The innovative aspect of this unique source of information is to emphasize the relationship between the planning system and its application in practice. The book consists of a concise synthesis of planning systems...
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One-step formation of n-alkenyl-malonamides and n-alkenyl-thiomalonamides from carbamoyl meldrum's acids.
PublikacjaA one-pot synthesis for the preparation of N-alkenyl-malonamides and N-alkenyl-thiomalonamides was developed. 5-[Hydroxy/mercapto(aryl/alkylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione act as a source of ketenes that react with the tautomeric form of alkyl-(2-phenyl-propylidene)-amines. A possible [2+2] or [4+2] cycloaddition product of ketene to imines was not observed.
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Rheological and compressive strength (ultrasonic pulse method) properties of cement pastes containing iron oxide (Fe3O4) nanoparticles
Dane BadawczeRheological data of cement pastes containing different replacement levels of cement with iron oxide nanoparticles deterimined using MCR 301 (Anton Paar) stress-imposed rheometer, equipped with calibrated helicoidal geometry
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Emotion Recognition
Dane BadawczeThe films presented here were recorded using so-called high-speed camera Phantom Miro. To play the movie You need the special software which can be downloaded from the web site https://www.phantomhighspeed.com/resourcesandsupport/phantomresources/pccsoftware the details of the movie are available after starting the movie in the viewer in the description...
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Emotion Recognition
Dane BadawczeThe films presented here were recorded using so-called high-speed camera Phantom Miro. To play the movie You need the special software which can be downloaded from the web site https://www.phantomhighspeed.com/resourcesandsupport/phantomresources/pccsoftware the details of the movie are available after starting the movie in the viewer in the description...
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The XPS spectra of Ce0.8Ni0.2O2 prepared using microemulsion method
Dane BadawczeThe dataset includes XPS spectra of Ce0.8Ni0.2O2-s sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods (microemulsion). The XPS spectra were collected for all species.
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The XPS spectra of Ce0.8Cu0.2O2 prepared using microemulsion method
Dane BadawczeThe dataset includes XPS spectra of Ce0.8Cu0.2O2-s sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods (microemulsion). The XPS spectra were collected for all species.
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X-ray Photoelectron Spectroscopy studies of laser-induced titania nanotubes
Dane BadawczeThis dataset contains the results of high-resolution XPS studies obtained during the formation of the hollow nanopillar arrays through the laser-induced transformation of titania nanotubes.
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Optical properties of TeOx gels doped with a mix of rare-earth ions
Dane BadawczeThe DataSet contains the UV-Vis spectra of the TeOx gels doped with a mix of rare-earth ions. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the different molar concentration of rare-earth ions was added, nitrates were used...
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Optical properties TeOx gels doped with the rare-earth ions
Dane BadawczeThe DataSet contains the UV-Vis spectra of TeOx gels doped with the rare-earth ions. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of the rare-earth ions were added, the nitrates were used as a source of rare-earth...
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Monthly mean sea surface temperature (SST) of the Baltic Sea
Dane BadawczeMonthly mean sea surface temperature (SST) from 2001 to 2022 calculated from data from the SatBaltic System (https://satbaltyk.iopan.gda.pl/). The spatial resolution of the maps is 1 km. The calculation of monthly mean values at each pixel was based on four SST maps on each day of the month. The primary source of SST information was satellite data collected...
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Analiza widmowa sygnału zmian impedancji klatki piersiowej
PublikacjaW diagnostyce wielu chorób serca ważna jest ocena nie tylko jego pracy elektrycznej (na podstawie sygnału elektrokardiograficznego) lecz również pracy mechanicznej oraz sprzężenia elektromechanicznego w sercu. Zastosowanie metod pomiarowych pozwalających na badanie zarówno parametrów elektrycznych jak i mechanicznych serca jest szczególnie istotne w przypadku podejrzenia dyssynchronii. Do określenia synchroniczności mechanicznego...
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Smart Services for Improving eCommerce
PublikacjaThe level of customer support provided by the existing eCom-merce solutions assumes that the person using the functionality of theshop has sufficient knowledge to decide on the purchase transaction. Alow conversion rate indicates that customers are more likely to seekknowledge about the particular product than finalize the transaction.This is facilitated by the continuous development of customers’ digi-tal...
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Mesophilic and thermophilic dark fermentation course analysis using sensor matrices and chromatographic techniques
PublikacjaProduction of biofuels from biomass is expected to benefit the society and the environment. At present, bio waste residues processing includes hydrolysis, dark fermentation, photofermentation, pyrolysis, gasification, and chemical synthesis. As the composition and the chemical structure of organic substances affect the efficiency of mentioned processes, it is believed that the glucose concentration is a crucial parameter for the...
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IR-THERMAL IMAGING IN CARDIOSURGERY
PublikacjaA method for monitoring the state of the myocardium during cardiosurgical interventions based on thermal IR imaging is presented. These methods called Static Thermography and Active Dynamic Thermography (ADT) uses information about distribution of temperature on the surface and an external excitation source to induce thermal transient processes in a tested object. Recording time series of thermograms allows to calculate parametric...
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Asynchronous Charge Carrier Injection in Perovskite Light-Emitting Transistors
PublikacjaUnbalanced mobility and injection of charge carriers in metal-halide perovskite light-emitting devices pose severe limitations to the efficiency and response time of the electroluminescence. Modulation of gate bias in methylammonium lead iodide light-emitting transistors has proven effective in increasing the brightness of light emission up to MHz frequencies. In this work, a new approach is developed to improve charge carrier...
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The assessment of renewable energy in Poland on the background of the world renewable energy sector
PublikacjaThe issues of the article are associated with the development of the renewable energy source (RES) sector in the world and in Poland. The subject is undoubtedly connected with the problem of the energy transformation taking place in most countries nowadays. Energy transformation processes are mainly associated with an increase in the share of energy production from RES and increased awareness of energy use by end consumers. This...
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A new diagnostic IR-thermal imaging method for evaluation of cardiosurgery procedures
PublikacjaTwo methods for monitoring the state of the myocardium during cardiosurgical interventions based on thermal IR imaging are presented below. These methods, called static thermography and active dynamic thermography (ADT), use information about the distribution of temperature on the surface, and an external excitation source to induce thermal transient processes in a tested object. Recording the time series of thermograms allows...
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High precision and accuracy using low cost GNSS receivers and supporting technologies
PublikacjaThis chapter focuses on methods and techniques of positioning, based on the highly accurate and precise Global Navigation Satellite System (GNSS), which are available at a relatively low price. In this context, a comparison of different positioning methods provided by the free and open source software (FOSS) package called RTKLIB is given. Other aspects related to price reduction are also considered, including availability and...
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Brygida Mielewska dr
OsobyBrygida Mielewska urodziła się 1 grudnia 1972 r. w Gdyni. Studia wyższe ukończyła w 1997 r. na Wydziale Matematyki, Fizyki i Informatyki Uniwersytetu Gdańskiego, uzyskując tytuł magistra fizyki. W latach 1997–2003 pracowała na stanowisku asystenta w Katedrze Fizyki Zjawisk Elektronowych na Wydziale Fizyki Technicznej i Matematyki Stosowanej Politechniki Gdańskiej. Pracę doktorską pisała pod kierunkiem prof. dr. hab. Mariusza Zubka,...
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Styrene epoxidation over heterogeneous manganese(III) complexes
PublikacjaThe manganes(III) complex functionalised with 2,3-dihydropyridazine has been encapsulated in the supercages of the NaY zeolite using two different procedures, flexible ligand and in situ complex. The parent zeolite and the encapsulated manganese(III) complexes were screened as catalysts for styrene oxidation by using t-BOOH as the oxygen source in acetonitrile. Under the optimized conditions, the catalysts exhibited moderate activity...
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Alternative Energy: Photovoltaic Solar Cells
PublikacjaSolar radiation is a fuel for photovoltaic cells and modules, which are a source of electric energy. Viable solar technologies that have been developed in the past are starting to be adopted on a broader and more meaningful global scale across different sectors with ever-increasing market penetration. In this entry, a brief overview of the material properties relevant to solar cell operation, the structure of the solar cell, and electrical...
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Peptide modification with thiomalonoamide moiety
PublikacjaAbstract: Meldrum acid derivatives under the thermal decomposition are well known source of ketenes. Recently we investigated chemical properties of thiocarbamolyl meldrum acids. We found that 5-(α-alkylamino- α'-sulfhydryl)methylene Meldrum's acids hated in the presence of amines produce thiomalonamides. We used this reaction to the one pot synthesis of series of short peptides containing thiomalonoamide motif.
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Double-stage ORC system based on various temperature waste heat sources of the negative CO2 power plant
PublikacjaAnalysed is the modification of the thermodynamic cycle with the negative CO2 power plant concept by its combination with the organic Rankine cycle. The analysed power plant operates on a gas produced from the gasification of sewage sludge. The negative emission term comes from the aggregated CO2 balance resulting from the capture of the CO2, while the sewage sludge is one of the inevitable environmental sources of CO2 to be avoided....
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X-ray Photoelectron Spectroscopy studies of salivary gland stones
Dane BadawczeThis dataset contains the high-resolution XPS studies for 23 cross-sections of salivary gland stones. The sialoliths were cut to determine the differences in composition between various regions: core (labeled as R), interlayer (labeled as P) and sialolith surface (labeled as Z).
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The XPS spectra of LSCNT sintered at 1200C
Dane BadawczeThe dataset includes XPS spectra of La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s sintered at various temperatures under air atmosphere for 12 h. Samples were produced using aqueous soft chemistry methods (Pechini). The XPS spectra were collected for all species.
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The XPS spectra of Al2O3/5%Cu prepared using wet impregnation method
Dane BadawczeThe dataset includes XPS spectra of Al2O3/5%Cu catalyst sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods and incipient wettness impregnation using nitrate solution. The XPS spectra were collected for all species.
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The XPS spectra of AlOOH/1%Cu prepared using wet impregnation method
Dane BadawczeThe dataset includes XPS spectra of AlOOH/1%Cu catalyst sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods and incipient wettness impregnation using nitrate solution. The XPS spectra were collected for all species.
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The XPS spectra of ZrO2/5%Cu prepared using wet impregnation method
Dane BadawczeThe dataset includes XPS spectra of ZrO2/5%Cu catalyst sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods and incipient wettness impregnation using nitrate solution. The XPS spectra were collected for all species.
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The XPS spectra of CeO2/5%Cu prepared using wet impregnation method
Dane BadawczeThe dataset includes XPS spectra of CeO2/5%Cu catalyst sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods and incipient wettness impregnation using nitrate solution. The XPS spectra were collected for all species.
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The XPS spectra of SrTiO3/5%Cu prepared using wet impregnation method
Dane BadawczeThe dataset includes XPS spectra of SrTiO3/5%Cu catalyst sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods and incipient wettness impregnation using nitrate solution. The XPS spectra were collected for all species.
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The XPS spectra of AlOOH/5%Cu prepared using wet impregnation method
Dane BadawczeThe dataset includes XPS spectra of AlOOH/5%Cu catalyst sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods and incipient wettness impregnation using nitrate solution. The XPS spectra were collected for all species.
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Ochrona powietrza - europejskie standardy
PublikacjaCurrent regulations in EU oblige every member country to cover the protection of the air as well as determine, in a bright and clear way, the responsibilities of the governments to monitor the condition and introduce ways of protection of the air from pollution. If the responsibilities imposed by the directive on evaluation and management of the air quality are obeyed by the respective organs of member countries of EU, then the...
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Measurement of distance, velocity and angle of arrival using FMCW-CW combined waveform
PublikacjaA procedure of tacking small flying object based on a general principle of FMCW and Doppler radar is presented. In order to increase measurement range, this technique uses active signal source on the moving object. For simultaneous measurements of distance, radial velocity and direction (AoA) as well as simplified synchronization a combined FMCW-CW waveform is proposed. The presented measurement system was realized and verified...
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Next generation automatic IP configuration deployment issues
PublikacjaAlthough Dynamic Host Configuration Protocol for IPv6 (DHCPv6) protocol was defined in 2003, it was designed as a framework rather than a complete solution to the automatic configuration in IPv6 networks. There are still some unsolved problems and new options yet to be defined. One example of such case is Fully Qualified Domain Name (FQDN) option, which final version has been published in late 2007. It describes DHCPv6 client...
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Propagation of Acoustic Disturbances in Shallow Sea
PublikacjaPropagation of acoustic waves in shallow sea differs fundamentally from the same phenomenon occurring in deep sea in view of non-negligible distance from the sea bottom in the first case, where presence of two regions limiting the water layer results in the acoustic pressure distribution induced by a harmonic source has an interferential nature as a result of multi-path propagation of the acoustic signal. These interferential properties...
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Evaluation of Selected Heavy Metal Contaminants as Well as Nitrates and Nitrites in the Microgreens of Nigella (Nigella sativa L.), Safflower (Carthamus tinctorius L.), and Camelina (Camelina sativa L.) at Different Stages of Vegetation
PublikacjaMicrogreens are a new, rapidly growing group of foodstuffs. The decorative function of these is often accompanied by their use in traditional dishes. As microgreens are eaten at very early stages, when the development of the epidermis is at its minimum, the bioavailability of minerals will be found to be higher in microgreens then in mature vegetables. So, microgreens can be an excellent functional food, especially for mineral-deficient...
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Computer support of analysis optical spectra measurements
PublikacjaVerification of measurement errors has a big impact on assessment of accuracy of conducted measurements and obtained results. In many cases computer simulation results are compared with measurement results in order to evaluate measurement errors. The purpose of our research was to check the accuracy of measurements made with Fabry-Perot interferometer working in the transmission mode. In measurement setup, a 1310 nm superluminescent...
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Computer Support of Analysis of Optical Spectra Measurements
PublikacjaThe verification of measurement errors has a big impact on the assessment of the accuracy of conducted measurements and obtained results. In many cases, computer simulation results are compared with measurement results in order to evaluate measurement errors. The purpose of our research was to check the accuracy of measurements made with a Fabry–Perot interferometer working in the transmission mode. In the measurement setup, a...
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Numerical modeling of quantum dynamical processes
PublikacjaIn this dissertation I present a high-precision (15, 18 or 33 decimal places) C++ implementation of quantum dynamics time propagation algorithms for both time-independent and time-dependent Hamiltonian with an inhomogeneous source term. Moreover I present an extension of both algorithms for time propagation to handle arbitrary number of coupled electronic levels. I have performed a careful validation of these implementations comparing...
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Application of Doubly Connected Dominating Sets to Safe Rectangular Smart Grids
PublikacjaSmart grids, together with the Internet of Things, are considered to be the future of the electric energy world. This is possible through a two-way communication between nodes of the grids and computer processing. It is necessary that the communication is easy and safe, and the distance between a point of demand and supply is short, to reduce the electricity loss. All these requirements should be met at the lowest possible cost....
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Efficient algorithm for blinking LED detection dedicated to embedded systems equipped with high performance cameras
PublikacjaThis paper presents the concept and implementation of an efficient algorithm for detection of blinking LED or similar signal sources. Algorithm is designed for embedded devices equipped with high performance cameras being a part of an indoor positioning embedded system. An algorithm to be implemented in such a system should be efficient in terms of computational power what is hard to be achieved when large amount of data from camera...
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Justyna Łuczak dr hab. inż.
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Knowledge and intellectual capital in a library
PublikacjaThe article constitutes an attempt to focus on the issues connected with knowledge management and intellelectual capital in a library, that is meant as a knowledge-based organisation, supporting the process of creating knowledge. it was characterised as the process of knowledge management in the library environment and diferent approaches to intelelectual capital management that depends on accepted philosophical conception....
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A graphical approach to yield and boundary surfaces of selected hypoplastic constitutive equations
PublikacjaThe article describes how to identify the boundary and yield surface for hypoplastic constitutive equations proposed by Wu, Gudehus and Bauer. It is shown how to identify and plot the surfaces for any equation in this class. Calculation errors are analyzed characteristic for appleid set of numerical formulas. In the paper there are computer links to the source code prepared in the MATLAB system, based on istructions in the article....
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Monitoring of a historic sacral building on an example Basilica St. Nicholas in Gdańsk
Publikacjahe paper describes the case of monitoring the technical condition of a historic sacral building after a failure and during renovation works. In order to monitor the condition of the building, safely conduct diagnostic work, identify the causes of failures andsafely carry out renovation works, a detailed Facility Monitoring Program has been developed, which has been implemented, is operational and is a source of valuable data used...