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Search results for: TD-DFT
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Distribution of Relaxation Times analysis results of impedance measured in function of temperature on porous SrTi0.30Fe0.70O3-d oxygen electrode sintered at 800 °C
Open Research DataThis dataset contains results of Distribution of Relaxation Times analysis (DRT) of impedance of symmetrical cells with porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at 800 °C. Electrochemical impedance spectroscopy were measured at 800 °C; 750 °C and 700 °C (syntetic air). The DRTTools Matlab GUI, available from prof. Ciucci’s group, was used...
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Distribution of Relaxation Times analysis results of impedance measured in function of temperature on porous SrTi0.65Fe0.35O3-d oxygen electrode sintered at 800 °C
Open Research DataThis dataset contains results of Distribution of Relaxation Times analysis (DRT) of impedance of symmetrical cells with porous SrTi0.65Fe0.35O3-d oxygen electrodes sintered at 800 °C. Electrochemical impedance spectroscopy were measured at 800 °C; 750 °C and 700 °C (syntetic air). The DRTTools Matlab GUI, available from prof. Ciucci’s group, was used...
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Analiza czasowa pasywnych układów mikrofalowych o dużej dobroci.**2003, 186s. 72 rys. maszyn. Rozprawa doktorska /15.04.2003./ Wydz. ETI Promotor: prof. dr hab. inż. M. Mrozowski.
PublicationCelem niniejszej pracy było zaproponowanie szeregu kryteriów pozwalającychna automatyczne tworzenie dużej wiarygodności modeli sygnałów, uzyskiwanychza pośrednictwem metod analizy układów mikrofalowych w dziedzinie czasu, jakrównież opracowanie definicji funkcji celu umożliwiających projektowaniefiltrów pasmowo-przepustowych w oparciu o analizę układów metodą FD-TD orazwykazanie skuteczności techniki automatycznej kreacji...
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Meander anisotropic magnetoresistance bridge geomagnetic sensors
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Obiekty Hydrotechniczne 2021/2022
e-Learning CoursesKurs Obiekty Hydrotechniczne realizowany jest przez studentów na kierunku Inżynieria Środowiska WILiŚ PG w ramach studiów stacjonarnych II stopnia. Celem kursu jest przedstawienie podstawowych zasad związanych z projektowaniem i eksploatacją obiektów hydrotechnicznych takich jak np. jazy, zapory ziemne czy betonowe. WYKŁAD Podział i klasyfikacja budowli hydrotechnicznych. Główne budowle wodne wzniesione na polskich rzekach: cel...
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Differentiation Between Spirits According to Their Botanical Origin
PublicationAgricultural distillates are used for the production of spirit beverages. As more and more products with a specific botanical composition specified on the label are produced (e.g. rye vodkas, wheat vodkas and Polish Vodka, which cannot be produced with the addition of maize distillate), it is necessary to look for quicker and more accurate methods allowing the determination of botanical origin of alcoholic beverages and materials...
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Distribution of relaxation times as a method of separation and identification of complex processes measured by impedance spectroscopy
PublicationImpedance spectroscopy is one of the most commonly performed measurements to characterize electronic and electrochemical systems. Impedance spectra have limited resolution and many different processes may overlap what could be the reason of obstructions in its proper later analysis. Up to date, there are three approaches to solve this problem: examining impedance spectra itself, fitting spectra with equivalent circuits, and calculating...
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Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublicationThis work describes a series of iron(II) phosphanylphosphido complexes. These compounds were obtained by reacting lithiated diphosphanes R2PP(SiMe3)Li (R = t-Bu, i-Pr) with an iron(II) β-diketiminate complex, [LFe(μ2-Cl)2Li(DME)2] (1), where DME = 1,2-dimethoxyethane and L = Dippnacnac (β-diketiminate). While the reaction of 1 with t-Bu2PP(SiMe3)Li yields [LFe(η1-Me3SiPPt- Bu2)] (2), that of 1 with equimolar amounts of i-Pr2PP(SiMe3)Li,...
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An Empirical Propagation Model for Mobile Radio Links in Container Terminal Environment
PublicationIn this paper, a novel empirical propagation model for mobile radio links in a container terminal environment is presented. Measurement propagation research carried out in the Deepwater Container Terminal (DCT) in Gdańsk, Poland is described, and the investigated environment is characterized. The results of the statistical evaluation of the new model are discussed. In addition, statistical tuning of the Walfisch–Ikegami model for...
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Wpływ parametrów szlifowania na chropowatość powierzchni stali 1.0562 w stanie zmiękczonym
PublicationPrzedstawiono wyniki badań procesu szlifowania elementów konstrukcyjnych ze stali stopowej 1.0562 w stanie zmiękczonym. Przeanalizowano wpływ głębokości szlifowania ae i prędkości posuwu wzdłużnego przedmiotu vft na chropowatość powierzchni. Zaprezentowano wartości parametrów chropowatości Ra, Rz i Rt możliwe do uzyskania w przyjętych warunkach badań.
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MULTIEQUATION MODELS AS DIAGNOSTIC TOOLS FOR MEASURING THE OPERATIONAL FLUIDITY OF THE CONTAINER HANDLING TERMINAL
PublicationThe article presents the continuation of the authors’ research on the problem of the operational fluidity of cargo handling sea terminals, based on the example of the DCT. The article presents a solution based on the multiequation models and applied to analyze the operational fluidity of terminals in the transshipment and feeder relation. To provide a solution to the problem of the functioning of sea-land supply chains at the terminal,...
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Distribution of Relaxation Times analysis results of impedance measured at 700 °C on porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at different temperatures
Open Research DataThis dataset contains results of Distribution of Relaxation Times analysis (DRT) of impedance of symmetrical cells with porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at different temperatures (800 °C, 900 °C and 1000 °C). Electrochemical impedance spectroscopy were measured at 700 °C (syntetic air). The DRTTools Matlab GUI, available from prof....
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Distribution of Relaxation Times analysis results of impedance measured at 700 °C on porous SrTi0.50Fe0.50O3-d oxygen electrodes sintered at different temperatures
Open Research DataThis dataset contains results of Distribution of Relaxation Times analysis (DRT) of impedance of symmetrical cells with porous SrTi0.50Fe0.50O3-d oxygen electrodes sintered at different temperatures (800 °C, 900 °C and 1000 °C). Electrochemical impedance spectroscopy were measured at 700 °C (syntetic air). The DRTTools Matlab GUI, available from prof....
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Distribution of Relaxation Times analysis results of impedance measured at 700 °C on porous SrTi0.65Fe0.35O3-d oxygen electrodes sintered at different temperatures
Open Research DataThis dataset contains results of Distribution of Relaxation Times analysis (DRT) of impedance of symmetrical cells with porous SrTi0.65Fe0.35O3-d oxygen electrodes sintered at different temperatures (800 °C, 900 °C and 1000 °C). Electrochemical impedance spectroscopy were measured at 700 °C (syntetic air). The DRTTools Matlab GUI, available from prof....
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Effect of urea and glycine betaine on the hydration sphere of model molecules for the surface features of proteins
PublicationWater properties may significantly affect protein stability. Osmolytes are compounds that intrinsically affect water in many different ways and thus can influence proteins with this type of indirect mechanism. In this study, we characterize water properties in ternary solutions: model–water–osmolyte, with two model molecules: N-methylacetamide (NMA) and dimethyl sulfoxide (DMSO) and two osmolytes: glycine betaine (TMG)and urea....
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Unexpected Z/E isomerism of N-methyl-O-phosphothioyl benzohydroxamic acids, their oxyphilic reactivity and inertness to amines
PublicationThiophosphinoylation of N-methyl p-substituted benzohydroxamic acids using disulfanes (method A) or diphenylphosphinothioyl chloride (method B) provides only one conformer of the respective O-phosphothioyl derivative (Xray and NMR analysis). Undergoing the P-transamidoxylation reaction is an evidence of the reversibility of thiophosphinoylation. Only those products containing strong EWG substituents in the aroyl residue or bulky...
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The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study
PublicationWe report a linear-scaling density functional theory (DFT) study of the structure, wall-polarization absolute band-alignment and optical absorption of several, recently synthesized, open-ended imogolite (Imo) nanotubes (NTs), namely single-walled (SW) aluminosilicate (AlSi), SW aluminogermanate (AlGe), SW methylated aluminosilicate (AlSi-Me), and double-walled (DW) AlGe NTs. Simulations with three different semi-local and dispersion-corrected...
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Polymerization of chloro-p-xylylenes, quantum-chemical study
PublicationThe p-xylylene monomers of parylene N, C and D have similar high polymerization reactivity. For effective copolymerization processes this fact is basically a draw- back and for instance the copolymerization with styrene doesn't go at all (Corley et al. J Pol Sc 13(68):137156, 1954). Substitution of terminal hydrogen atoms by chlorine atoms reduces reactivity dramatically. 7,7,8,8-tetrachloro-p- xylylene and 2,5,7,7,8,8-hexachloro-p-xylylene...
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The electronic structure of p-xylylene and its reactivity with vinyl molecules
PublicationThe electronic states of p-xylylene molecule were described at the multi-configurational CASSCF/MRMP2 level of theory. The closed-shell singlet state representing the quinoidal p-xylylene molecule was pre-dicted to be the ground electronic state whereas the triplet (benzoidal) and the singlet open-shell states were found to be much higher in energy (by 159 and 423 kJ/mol, respectively, as found at the CASSCF(8,8)/6-31+G(d) level)....
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Tranzystory organiczne
PublicationW artykule przedstawiono budowę, zasady działania i niektóre podstawowe charakterystyki organicznych tranzystorów polowych w oparciu o przegląd najnowszych publikacji naukowych dotyczących tematu. Omówiono tranzystory cienkowarstwowe TFT i typu SIT wykonane uproszczoną technologią z elastycznych i częściowo uporządkowanych materiałów organicznych. Zwrócono uwagę na koncepcję tranzystora molekularnego.
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Incorporation of human and organizational factors into qualitative and quantitative risk analyses.
PublicationArtykuł obejmuje aktualne zagadnienia dot. uwzględniania czynników ludzkich w analizie ryzyka i zarządzaniu bezpieczeństwem złożonych obiektów podwyższonego ryzyka. Podkreśla się rosnącą świadomość, że eksploatacja złożonych systemów wyposażonych w środki bezpieczeństwa i redundancyjne systemy sterowania / zabezpieczeń, może spowodować większą zależność systemów od czynników ludzkich i organizacyjnych.
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Gate Driver with Overcurrent Protection Circuit for GaN Transistors
PublicationThe improvement of the gate driver for GaN transistor is presented in this paper. The proposed topology contains the overcurrent protectionwith the two-stage turning off and independent control of turn on and off time of the GaN transistor. The operation of driver and its application in thehalf-bridge converter are described using both simulation and prototype measurements. The overcurrent protection was tested in Double Pulse...
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Wnioskowanie w wielowymiarowej statystyce (semestr letni 2022/2023)
e-Learning Courseswykład, seminarium, laboratorium: dr inż. Anna Szafrańska Specjalność: Analityk danych, II stopnia, Matematyka, WFTiMS, stacjonarne, 2021/2022 - letni (obecnie sem. 2)
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Effective Permeability of Multi Air Gap Ferrite Core 3-Phase Medium Frequency Transformer in Isolated DC-DC Converters
PublicationThe magnetizing inductance of the medium frequency transformer (MFT) impacts the performance of the isolated dc-dc power converters. The ferrite material is considered for high power transformers but it requires an assembly of type “I” cores resulting in a multi air gap structure of the magnetic core. The authors claim that the multiple air gaps are randomly distributed and that the average air gap length is unpredictable at the...
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Piotr Kołodziejek dr inż.
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Eksperymentalna weryfikacja przydatności wybranych parametrów standardu MPEG-7 w procesie klasyfikacji dźwięków instrumentów muzycznych
PublicationObecnie stosowane metody wyszukiwania informacji muzycznej w internecie bazują na parametrycznym opisie zawartości danych multimedialnych. W standardzie MPEG-7 w części dotyczącej sygnałów fonicznych zawarto opis oparty w dużej mierze o analizę widmową, przy czym dla dźwięków muzycznych parametryzowane jest widmo FFT fragmentu stanu quasi-ustalonego.
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Fibres from recycled post-consumer tyres for concrete reinforcement
PublicationW pracy przedstawiono aktualną sytuację dot. wykorzystania drutu stalowego z recyklingu opon samochodowych. Przedstawiono wyniki badań przeprowadzonych w laboratorium Katedry Konstrukcji Betonowych i Technologii Betonu nad zastosowaniem włókien stalowych z recyklingu do zbrojenia betonu. Otrzymane wyniki porównano z próbkami fibrobetonu uzyskanego na bazie przemysłowo produkowanych włókien stalowych.
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Magnetic field maps of an astable multivibrator in frequency range from 30 MHz to 3 GHz – spatial detection
Open Research DataThe data presents a result of near field measurements of electromagnetic emissions radiated from the PCB of a small electronic device. An efficient method of modelling the magnetic and electric field emissions is the measurements in the near field using electric and magnetic probes. The attached files contain magnetic field maps created on based measurements...
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Magnetic field maps of an astable multivibrator in frequency range from 100 kHz to 50 MHz
Open Research DataThe data presents a result of near field measurements of electromagnetic emissions radiated from the PCB of a small electronic device. An efficient method of modelling the magnetic and electric field emissions is the measurements in the near field using electric and magnetic probes. The attached files contain magnetic field maps created on based measurements...
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Electric field maps of an astable multivibrator in frequency range from 30 MHz to 3 GHz
Open Research DataThe data presents a result of near field measurements of electromagnetic emissions radiated from the PCB of a small electronic device. An efficient method of modelling the magnetic and electric field emissions is the measurements in the near field using electric and magnetic probes. The attached files contain electric field maps created on based measurements...
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Activated sodium percarbonate-ozone (SPC/O3) hybrid hydrodynamic cavitation system for advanced oxidation processes (AOPs) of 1,4-dioxane in water
PublicationHydrodynamic cavitation (HC) was employed to activate sodium percarbonate (SPC) and ozone (O3) to degrade recalcitrant 1,4-dioxane. The degradation efficiency > 99 % with a rate constant of 4.04 × 10−2 min−1 was achieved in 120 min under the optimal conditions of cavitation number (Cv) 0.27, pH 5, molar ratio of oxidant to pollutant (rox) 8, ozone dose of 0.86 g h−1 under 25 ± 2 °C with initial concentration of 1,4-dioxane 100...
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Mecz Energa Basket Ligi Kobiet w koszykówce
EventsEnerga Basket Ligi Kobiet w koszykówce: DGT AZS Politechnika Gdańska – Energa Toruń
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Sabina Szymczak dr inż.
PeopleI am a Research & Teaching Assistant Professor at the Faculty of Management and Economics at Gdańsk University of Technology (GdanskTech). Currently I am a member of the Department of Statistics and Econometrics. I got my PhD degree in Economics from Faculty of Management and Economics at GdanskTech. I got my M. Sc. degree in Mathematics and my B. Eng. degree in Technical Physics (Specialization: Applied Computer Science) both...
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3-phase medium frequency transformer for a 100kW 1.2kV 20kHz Dual Active Bridge converter
PublicationThe article presents a three-phase Medium Frequency Transformer being a part of a 100kW 1.2kV 20kHz Dual Active Bridge DC-DC converter. The transformer design is detailed focusing on winding and core power loss calculation. The high power three-phase MFT prototype is presented. The experimental results include the transformer impedance characteristics, no load test and three-phase DAB full load test waveforms
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Decisional-DNA-Based Digital Twin Implementation Architecture for Virtual Engineering Objects
PublicationDigital twin (DT) is an enabling technology that integrates cyber and physical spaces. It is well-fitted for manufacturing setup since it can support digitalized assets and data analytics for product and process control. Conventional manufacturing setups are still widely used all around the world for the fabrication of large-scale production. This article proposes a general DT implementation architecture for engineering objects/artifacts...
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Sztuczna inteligencja (2022/2023)
e-Learning CoursesSztuczna inteligencja - kurs dla IV semestru FT/IS.
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Sztuczna inteligencja (2021/2022)
e-Learning CoursesSztuczna inteligencja - kurs dla IV semestru FT/IS.
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Sztuczna inteligencja (2023/2024)
e-Learning CoursesSztuczna inteligencja - kurs dla IV semestru FT/IS.
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Conformation Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues
PublicationRodzina chiralnych cyklicznych oksamidów została otrzymana przez kondensację optycznie czynnych 1,2-diamin ze szczawianem dietylu. Tionowanie produktów odczynnikiem Lawessona doprowadziło do chiralnych 2,3-dipiperazynodionów. Geometrie cząsteczkowe badano z użyciem obliczeń kwantowo-mechanicznych DFT i porównano z wynikami analizy krystalograficznej. Sześcioczłonowy pierścień heterocykliczny przyjmuje konformację półkrzesłową,...
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Electronic structure and charge distribution in DyBa2Cu3O7: The ab initio approach
PublicationW pracy wykonano obliczenia kwantowomechaniczne struktury elektronowej nadprzewodzącego materiału DyBa2Cu3O7 (Dy123) metodą FP-LAPW (full potential - linearized augmented plane wave) w ramach formalizmu DFT (density functional theory) stosując przybliżenie GGA (generalized gradient approximation). Ze względu na silne oddziaływania korelacyjne elektronów 4f w atomie Dy zastosowano dodatkowo poprawkę kulombowską U w ramach modelu...
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Electrochemical, theoretical and surface physicochemical studies of the alkaline copper corrosion inhibition by newly synthesized molecular complexes of benzenediamine and tetraamine with π acceptor
PublicationTwo charge transfer complexes, namely [(BDAH)+(PA−)] CT1 [(BTAH)2+(PA−)2] and CT2 (BDAH = 1,2-benzenediamine, BTAH = 1,2,4,5-benzenetetramine, and PA− = 2,4,6-trinitrophenolate), were synthesized and fully characterized using various spectroscopic techniques. CT1 and CT2 were tested as inhibitors to effectively control the uniform and anodic corrosion processes of copper in an alkaline electrolyte (1.0 M KOH) using various electrochemical...
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A novel (Ti/Ce)UiO-X MOFs@TiO2 heterojunction for enhanced photocatalytic performance: Boosting via Ce4+/Ce3+ and Ti4+/Ti3+ redox mediators
PublicationTitanium-substituted cerium-oxo-based UiO MOFs with terephthalate linkers modified by various groups (–Br, –NH2, –NO2) or their derivatives (N-heterocyclic or biphenyl groups) were combined with titanium dioxide in a multistep route to obtain a core-shell-like architecture. DFT simulations showed that Ce- and bimetallic Ti/Ce- MOFs exhibited different charge compensation. Extended characterization revealed the formation of heterojunctions between...
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Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization
PublicationRuthenium(II) complexes are lately of great scientific interest due to their chemotherapeutic potential asanticancer and antimicrobial agents. Here we present the synthesis of new pyrazole carbothioamidederivatives and their four arene–ruthenium complexes. The title compounds were characterized with theapplication of IR, NMR, mass spectrometry, elemental analysis and X-ray diffraction. Additionally, for newcomplexes DFT calculations...
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Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule
PublicationThe ground state geometries and vibrational frequencies as well as the excitation energies and excited state gradients of the S 1(nπ*) and S 2(ππ * ) states of trans - and cis -azobenzene are investigated by several DFT methods, namely B3LYP, PBE, M06-2X, CAM-B3LYP, and ω B97X. Excited state properties and in particular gradients are also assessed using the wave function based methods EOM-CCSD and RASPT2/RASSCF. Comparison with...
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Reactive imines: Addition of 2-aminopyrimidine to the imine bond and isolation of the aminal from the equilibrium mixture aminal/imine
PublicationThe reaction between o-vanillin and 2-aminopyrimidine leads to the formation of a single crystalline product: aminal, 1, which results from the reaction of the initially formed imine with 2-aminopyrimidine. The reaction was followed by the NMR spectroscopy. VT NMR studies prove that in solution two major species are observed: aminal and imine and their ratio depends on the time or/and temperature with the imine content increasing...
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Concentrations of monoaromatic hydrocarbons in the air of the underground car park and individual garages attached to residential buildings
PublicationThe paper describes the characteristics of a two-level underground car park and three individual garages attached to residential buildings, differing by the resident utilization habits, located in North Poland (Tri-City agglomeration area). The strategy of collecting the analyte samples from air in mentioned enclosed areas, concerning the determination of benzene, toluene, ethylbenzene, o-xylene and p,m-xylenes (BTEX) concentrations...
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Low cost set-up for supercapacitors parameters evaluation
PublicationSupercapacitors are capable to store relatively high amount of energy comparing to its mass. Growing number of these devices applications requires development of new testing methods. Standard methods of evaluation of supercapacitor parameters, as cycling voltammetry, CV, galvanostatic cycling with potential limitation, GCPL, impedance measurements, require equipment of high cost...
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Application of dispersive liquid-liquid microextraction for the determination of selected organochlorine pesticides in honey by gas chromatography - mass spectrometry
PublicationDispersive liquid-liquid microextraction (DLLME) is a rapid and easy technique that consumes minute amounts of organic solvents. In this work, we present chemometric study on optimization of DLLME parameters for the extraction of aldrin, endrin, lindane, alfa-endosulfan, 4,4'-DDT and its metabolites from honey matrix. Method quantification limits (MQLs) vary between 0.3 ng/g for 2,4'-DDE and 4,4'-DDE to 13.2 ng/g for alfa-endosulfan...
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SEM examination of surface layer of C45 steel after grinding on defferent depth
Open Research DataFerrite examination for the medium carbon structural steel with low content of Mn, Si, Cu, Cr and Ni after its grinding to a depth of 2 µm, 8 µm, 14 µm and 20 µm, at constant wheel circumferential speed of vs = 25 m/s and constant feed rate vft = 1 m/min. It was shown that the grinding of C45 steel causes strong work hardening of ferrite in surface...
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Adaptive neuro fuzzy and fuzzy decision tree classifiers as applied to sea floor characterization.
PublicationPrzedstawiono wyniki badań wpływu różnych parametrów echa odbitego od dna morskiego na dokładność klasyfikacji typu dna przy pomocy sieci neuronowej z logiką rozmytą i przy pomocy drzew decyzyjnych. W szczególności uwzględniono takie parametry echa jak: energia, amplituda i nachylenie opadającego zbocza, wzbogacone o współczynniki falkowe otrzymane z dyskretnej transformacji falkowej (DWT).