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Wyniki wyszukiwania dla: THEORETICAL DESIGNING OF SELENIUM HETEROCYCLIC NON‑FULLERENE ACCEPTORS WITH ENHANCED POWER CONVERSION EFCIENCY FOR ORGANIC SOLAR CELLS: A DFT/TD‑DFT‑BASED PREDICTION AND UNDERSTANDING
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The influence of selenium addition during germination of Brassica seeds on health-promoting potential of sprouts
PublikacjaThe correlation among selenium uptake, the content of bioactive compounds in sprouts, and biological activities triggered in cultured human cells by sprout extracts was investigated. Seeds of Brassica crops and rye were treated with SeO2 water solution. The selenium levels in sprouts increased from 1.0-4.1 to 53.3-382 μg/g dw with no influence on plant physiology according to the indices used. Neither the composition of glucosinolates...
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Application of an iron-based porphyrinic metal–organic framework for removal of warfarin from aqueous solutions
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Excimer-based red-infrared organic light emitting diodes with very high quantum efficiency
PublikacjaW pracy opisano konstrukcję wydajnej organicznej ekscymerowej diody EL emitującej światło czerwone i podczerwone z wykorzystaniem organicznego kompleksu platyny.
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Carbonized Lanthanum-Based Metal-Organic Framework with Parallel Arranged Channels for Azo-Dye Adsorption
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublikacjaThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
PublikacjaPartition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibria is presented. The octanol/water and octanol/air partition coefficients are predicted...
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Dendrimer based theranostic nanostructures for combined chemo- and photothermal therapy of liver cancer cells in vitro
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Bio based PUR-PIR foams thermal degradation (TG) and isoconversional kinetics
Dane BadawczeIn the present work, we perform a thorough thermogravimetric (TG) analysis of the bio-based polyurethane – polyisocyanurate (PUR-PIR) foams in both nitrogen and oxygen atmosphere. A sustainable element of the foam was a biopolyol obtained via acid-catalyzed liquefaction of Zostera Marina and Enteromorpha Algae biomass. Based on isoconversional analysis...
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Molecular geometry of phenylboronic acid
Dane BadawczeData presents molecular geometry of the ground singlet state of phenylboronic acid. The geometry was obtained via DFT calculations using Becke–Lee–Yang–Parr density functional (B3LYP) with the balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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Understanding the Electronic Structure and Optical Properties of Vacancy-Ordered Double Perovskite A2BX6 for Optoelectronic Applications
PublikacjaOver the past few years, metal halide perovskite solar cells have made significant advances. Currently, the single-junction perovskite solar cells reach a conversion efficiency of 25.7%. Perovskite solar cells with a wide band gap can also be used as top absorber layers in multi-junction tandem solar cells. We examined the dynamical and thermal stability, electronic structure, and optical features of In2PtX 6 (X = Cl, Br, and I)...
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Electrostatic interactions in finite systems treated with periodic boundary conditions: Application to linear-scaling density functional theory
PublikacjaWe present a comparison of methods for treating the electrostatic interactions of finite, isolated systems within periodic boundary conditions (PBCs), within density functional theory (DFT), with particular emphasis on linear-scaling (LS) DFT. Often, PBCs are not physically realistic but are an unavoidable consequence of the choice of basis set and the efficacy of using Fourier transforms to compute the Hartree potential. In such...
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Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
PublikacjaThe genome feature of SARS-CoV-2 leads the virus to mutate and creates new variants of concern. Tackling viral mutations is also an important challenge for the development of a new vaccine. Accordingly, in the present study, we undertook to identify B- and T-cell epitopes with immunogenic potential for eliciting responses to SARS-CoV-2, using computational approaches and its tailoring to coronavirus variants. A total of 47 novel...
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Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods
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Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
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A comparative analysis of the effectiveness of corporate bankruptcy prediction models based on financial ratios: Evidence from Colombia, 2008 to 2015
PublikacjaLogit and discriminant analyses have been used for corporate bankruptcy prediction in several studies since the last century. In recent years there have been dozens of studies comparing the several models available, including the ones mentioned above and also probit, artificial neural networks, support vector machines, among others. For the first time for Colombia, this paper presents a comparative analysis of the effectiveness...
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Analiza porównawcza metod predykcji chwili zgodności fazowejw automatycznym synchronizatorze prądnic = Comparison of the methods of prediction time phase coincidence in automatic synchronizer of power generators
PublikacjaW artykule porównano dokładność wybranych metod realizacji warunku fazowego podczas synchronizacji obiektów elektroenergetycznych. Do porównania wybrano trzy metody: liniową, wielomianową oraz metodę adaptacyjnej synchronizacji prądnic z ekstrapolacją funkcją wymierną. Badania przeprowadzono dla różnych warunków pracy. Przyjęto stałą różnicę częstotliwości napięć synchronizowanych obiektów, różnicę częstotliwości zmieniającą się...
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Validation of EORTC, CUETO, and EAU risk stratification in prediction of recurrence, progression, and death of patients with initially non–muscle‐invasive bladder cancer (NMIBC): A cohort analysis
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Wind speed, wind direction and solar radiation datasets; wind and solar energy resources analysis
Dane BadawczeDataset contain the results of wind speed, wind direction and solar radiation for wind and solar energy resources analysis performed in years 2008 and 2009. Application for efficiency and profitability of solar and wind power plants anaylsis and for energy generation forecasting algorithms design and anaysis. Datasets used in doctoral dissertations,...
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Modeling of small molecule's affinity to phospholipids using IAM-HPLC and QSRR approach enhanced by similarity-based machine algorithms
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Evaluation of Performance and Power Consumption of a Thermoelectric Module-Based Personal Cooling System—A Case Study
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Selected aspects of traction transformer diagnosis based on analysis of power looses in windings and the iron core
PublikacjaW rozdziale przedstawiono metodę diagnostyki detekcji uszkodzeń wewnętrznych uzwojeń transformatora trakcyjnego oparta na analizie strat mocy rozpraszanej wewnątrz transformatora. Straty mocy są powiekszane o szereg czynników świadczacych o uszkodzeniu transformatora takich jak: zwarcia zwojowe, asymetria uzwojeń, relaksacja naprężeń na stykach połaczeń, uszkodzenie izolacji pomiedzy blachami rdzenia itp. Proponowana metoda dokonuje...
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A multithreaded CUDA and OpenMP based power‐aware programming framework for multi‐node GPU systems
PublikacjaIn the paper, we have proposed a framework that allows programming a parallel application for a multi-node system, with one or more GPUs per node, using an OpenMP+extended CUDA API. OpenMP is used for launching threads responsible for management of particular GPUs and extended CUDA calls allow to manage CUDA objects, data and launch kernels. The framework hides inter-node MPI communication from the programmer who can benefit from...
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The synthesis and structure of a potential immunosuppressant: N-mycophenoyl malonic acid dimethyl ester
PublikacjaThe synthesis of a potential immunosuppressant, i.e. dimethyl ester of N-mycophenoyl malonic acid was optimized in the reaction of mycophenolic acid (MPA) with amino malonic dimethyl ester in the presence of propanephosphonic anhydride (T3P) as a coupling reagent. The structural properties of the obtained MPA derivative were investigated by NMR, MS and single crystal X-ray diffraction methods. Theoretical considerations of conformational...
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Obróbka chemiczna krzemowych ogniw słonecznych jako najważniejszy etap w recyklingu modułów fotowoltaicznych = Chemical treatment of the crystalline silicon solar cells as the main stage of PV modules recycling
PublikacjaZaproponowano metodę zagospodarowania krzemowych ogniw fotowoltaicznych, wycofanych z użycia. Dla ogniw PV z krystalicznego krzemu prowadzono następujące po sobie procesy usuwania: powłok metalicznych, warstwy antyrefleksyjnej i złącza n-p przez wytrawianie. Skład roztworów trawiących dostosowywano do różnych rodzajów ogniw krzemowych. W celu opracowania uniwersalnej kąpieli trawiącej konieczne jest wprowadzanie pewnych modyfikacji...
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Non-Pharmacological Treatments for Insulin Resistance: Effective Intervention of Plant-Based Diets—A Critical Review
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Methodology of determination of geotechnical parameters for non-cohesive soils based on dynamic and static penetration tests
PublikacjaPrzedstawiono zakres, metodykę i wyniki sondowań dynamicznych i statycznych podłoży niespoistych dla dwóch dużych obiektów hydrotechnicznych: terminalu przeładunku zboża w Porcie Północnym w Gdańsku i planowanego kanału żeglugowego przez Mierzeję Wiślaną. Na podstawie obu rodzajów sondowań określono parametry geotechniczne badanych gruntów, przeanalizowano je i porównano ze sobą.
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NON-LINEAR MASTIC CHARACTERISTICS BASED ON THE MODIFIED MSCR (MULTIPLE STRESS CREEP RECOVERY) TEST
PublikacjaMastic containing asphalt in its composition is an example of a viscoelastic material. It is an effective binder in asphalt. It consists of a filler (<0.063 mm) and asphalt mixed in the right proportions. Just like in asphalt, its response depends on the temperature level, the load and stress time. Changing the stress stiffness of the mastic affects the non-linear course of the stress-strain relationship. Modelling of the non-linear...
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SESNED: Dataset for Event-Based Non-Intrusive Load Monitoring Research
Dane BadawczeSescom NILM Energy Dataset (SESNED ) description
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POSSIBILITIES OF ELECTRICAL ENERGY GENERATION IN PHOTOVOLTAIC SYSTEMS INSTALLED IN CENTRAL EUROPE
PublikacjaNowadays, fossil fuels are the main sources of energy from which electricity is obtained. But these sources will not last forever, so in due course renewable energies will have to replace them in this role. One of these new sources is solar energy. To generate electricity from sunlight, solar (photovoltaic - PV) cells and modules are used. The increasing interest in PV cells and modules worldwide is due mainly to the fact that...
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Effect of buffer layers on performance of organic photovoltaic devices based on copper phthalocyanine-perylene dye heterojunction
PublikacjaPraca przedstawia wyniki badań układu fotowoltaicznego złożonego z cienkich warstw organicznych tworzących złącze (CuPc i MePTCDI), elektrod (ITO i Ag) oraz z warstw buforowych (MoO3 przy ITO i BCP przy Ag).
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Electric-field-induced quenching of photoluminescence in photoconductive organic thin film structures based on Eu3+ complexes
PublikacjaW pracy badano elektrycznopolowe wygaszenie fotoluminescencji w organicznych kompleksach europu Eu(III) rozdyspergowanych w matrycy poliwęglan: dwuamina TPD. W układzie z elektrodami Al/Al obserwowano wygaszenie fotoluminescencji wywołane dysocjacją ekscytonów. W układzie z elektrodami ITO(+)/Au(-) oprócz dysocjacji ekscytonów obserwowano również silne wygaszenie ekscytonów na ładunku elektrycznym wstrzykniętym do próbki. Analiza...
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Chromium Cluster Luminescence: Advancing Near‐Infrared Light‐Emitting Diode Design for Next‐Generation Broadband Compact Light Sources
Dane BadawczeIn modern technology devices, an energy-saving miniature near-infrared (NIR) light source plays a critical role in non-destructive, non-invasive sensing applications and further advancement of technology. This dataset reports the broadband NIR luminescence of Cr3+ clusters for designing phosphor-converted NIR light-emitting diodes as an alternative...
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NICKEL-BASED LAYERED PEROVSKITE CATHODE MATERIALS FOR APPLICATION IN INTERMEDIATE-TEMPERATURE SOLID OXIDE FUEL CELLS
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Corrosion damage identification based on the symmetry of propagating wavefield measured by a circular array of piezoelectric transducers: Theoretical, experimental and numerical studies
PublikacjaThe article investigates the results obtained from numerical simulations and experimental tests concerning the propagation of guided waves in corroded steel plates. Developing innovative methodologies for assessing corrosion-induced degradation is crucial for accurately diagnosing offshore and ship structures exposed to harsh environmental conditions. The main aim of the research is to analyze how surface irregularities affect...
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Methodology for implementing power plant efficiency standards for power generation: potential emission reduction
PublikacjaSome methods of generating power such as power generation through coal, natural gas, oil result in inevitable emissions of greenhouse gases. While power generation is necessary due to its increasing demand, it is important for power companies to generate their power in an efcient manner to reduce its efect on the environment. One of the most efective ways of tackling inefciency issues is through the implementation of efciency standard....
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Current harmonic controller in multiple reference frames for series active power filter integrated with 18-pulse diode rectifier
PublikacjaThe paper presents the control system and selected results of experimental tests of the AC/DC power converter consisting of an 18-pulse diode rectifier based on coupled reactors and a serial active power filter. Proportional integral controllers with decoupling components are implemented in multiple reference frames for selective line current harmonic suppression. The regulator is provided with a backtracking anti-windup mechanism...
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Design analysis of ORC micro-turbines making use of thermal energy of oceans
PublikacjaThe article presents the results of the analysis of energy conversion cycles making use of thermal energy of oceans. The objects of analysis were two cases of closed Organic Rankine Cycle (ORC) power plants, which were: the cycle in which the vapour of the working medium was produced by warm oceanic water in the circum-equatorial zone, and the so-called “arctic” cycle in which this vapour was produced by non-frozen water in the circumpolar...
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Few Layered Oxidized h-BN as Nanofiller of Cellulose-Based Paper with Superior Antibacterial Response and Enhanced Mechanical/Thermal Performance
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Photovoltaic bulk heterojunctions with interpenetrating network based on semiconducting polymers
PublikacjaPhotovoltaic cells are supposed to be the most common generators of useful electricity in the nearest future as they utilize inexhaustible carriers of renewable energy called photons. Despite the fact that 95% of worldwide applied photovoltaic devices are based on inorganic semiconductors the area of organic photovoltaics grows successively due to possibility of considerable reduction of manufacturing costs. Since the Heeger's...
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Contribution of non-carbonate inorganic and organic alkalinity to total measured alkalinity in pore waters in marine sediments (Gulf of Gdansk, S-E Baltic Sea)
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Power Surge Compensator based on a Four Level Diode Clamped Inverter for ship application. Average model
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The Reliability and Exploitation Analysis Method of the ICT System Power Supply with the Use of Modelling Based on Rough Sets
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Hybrid high-frequency-SiC and line-frequency-Si based PEBB for MV modular power converters
PublikacjaIzolowane przekształtniki DC-DC o sterowanym kącie przesunięcia napięć strony pierwotnej i wtórnej są kluczowymi elementami współczesnych modułowych przekształtników energoelektronicznych średniego napięcia (SN). W porównaniu do konwencjonalnych przekształtników SN, przekształtniki modułowe z izolowanymi przetwornicami DC-DC nie wymagają izolacji w postaci wielkogabarytowych transformatorów o częstotliwości sieci. Zastosowanie...
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Proposal for calculating the bearing capacity of screw displacement piles in non-cohesive soils based on CPT results
PublikacjaPrzedstawienie wyników badań terenowych pali przemieszczeniowych wkręcanych, zrealizowanych w ramach projektu badawczego MNiSW. Propozycja dwóch metod obliczania nośności pali przemieszczeniowych wkręcanych w niespoistym podłożu gruntowym na podstawie wyników badań CPT. Metody dostosowano do wytycznych Eurokodu 7. Weryfikacja metod obliczeniowych z wynikami badań terenowych pali.
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Analysis of Circulating Tumor Cells in Patients with Non-Metastatic High-Risk Prostate Cancer before and after Radiotherapy Using Three Different Enumeration Assays
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Anthrapyridones, a novel group of antitumour non-cross resistant anthraqui-none analogues. Synthesis and molecular basis of the cytotoxic activity towards K562/DOX cells
PublikacjaOpracowano syntezę nowej grupy związków z grupy antrapirydonów z odpowiednimi hydrofobowymi lub hydrofilowymi podstawnikami. Badano działanie tych związków na komórkach K562/S i K562/DOX (nadekspresja P-glikoproteiny). Stwierdzono, że zwiększenie lipofilowości zwiększa szybkość P-gp zależnego efluksu z komórki.
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Justyna Szostak dr inż.
OsobyI Gdańsk University of Technology: Chair of the Rector’s Internationalization Committee (October 2020 - Present) Erasmus + Coordinator for students and staff members, Faculty of Applied Physics and Mathematics (Mar 2017 - Present) Dean's Proxy for Internationalization, Faculty of Applied Physics and Mathematics (October 2020 - Present) Coordinator of the International Relations Office of the Faculty of Applied Physics and...
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The voltage across and current through the RC model object tested using pulse excitation in impedance spectroscopy measurement method
Dane BadawczeThe raw data (voltage across and current through RC model object ) obtained using pulse excitation EIS impedance spectroscopy measurement method. The data was acquired using 12-bit ADC (LTC1420) with sampling frequency changed in time segments. The 1V voltage pulse excitation duration was set to 0.1s and the total acqusition time was set to 1000s. For...
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublikacjaThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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Highly effective degradation of selected groups of organic compounds by cavitation based AOPs under basic pH conditions
PublikacjaCavitation has become on the most often applied methods in a number of industrial technologies. In the case of oxidation of organic pollutants occurring in the aqueous medium, cavitation forms the basis of numerous advanced oxidation processes (AOPs). This paper presents the results of investigations on the efficiency of oxidation of the following groups of organic compounds: organosulfur, nitro derivatives of benzene, BTEX, and...