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Search results for: CHEMIA KWANTOWA
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Andrzej Wasik prof. dr hab. inż.
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Toward mechanosynthesis of diamondoid sructures: viii. quantum-chemical molecular dynamics simulations of hexagonal silicon-iv structure synthesis with stm
Publicationw tej publikacji badano metodami kwantowo-chemicznymi różne strategie mechanosyntezy heksagonalnego krzemu iv. określono przybliżone warunki mechanosyntezy krzemu w formie lonsdaleitu za pomocą uhv-spm.
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Influence of the Tool Rotational Speed on Physical and Chemical Properties of Dissimilar Friction-Stir-Welded AA5083/AA6060 Joints
PublicationAluminum alloys have been successfully used in the railroad and automotive industries because of their potential to significantly reduce component weights, and their good mechanical and anti-corrosion properties. Problems with joining aluminum alloys are characterized by low weldability, which influences the need for studies focused on unconventional methods. The environmentally friendly and low-cost friction-stir-welding method...
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Morphological, genetic, chemical and ecophysiological characterisation of two Microcystis aeruginosa isolates from the Vistula Lagoon, southern Baltic
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Recent achievements in chemical hydride generation inductively coupled and microwave induced plasmas with optical emission spectrometry detection
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Morphometric parameters of the Renardbreen as important factors determining the spatial distribution of chemical compounds on the glacier surface (Bellsund, Svalbard)
PublicationThis paper concern influence of the morphometric parameters (height, length and slope of the glacier) on the spatial distribution of the physicochemical parameters (pH, electrical conductivity, total organic carbon) determined in the ice and snow samples collected from the surface of Renardbreen during summer season of 2012. Obtained results allow to assume also a significant changes in a spatial distribution of other chemical...
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Determination of selected chemical parameters in surface water samples collected from the Revelva catchment (Hornsund fjord, Svalbard)
PublicationSurface water samples (river and lake) were collected from the Revelva catchment every summer from 2010 to 2013. This study concerns importance of the use of some analytical techniques for pollutants and parameters deter- mination in Arctic environmental samples based on the example of total organic carbon, phenols, and formaldehyde determination and measurement of pH and electrical conductivity parameters. Significant...
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Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor
PublicationHigh-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered body-centered cubic (BCC) Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor appears to display properties of both simple crystalline intermetallics and amorphous materials; e.g., it has a well-defined superconducting transition along with an exceptional robustness against disorder....
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Glycerol extracts of Glycyrrhiza glabra, Echinacea purpurea, Silybum marianum and Berberis vulgaris: chemical characterisation and cosmeceutical potential
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Comparison of antioxidant and enzyme inhibition activities as well chemical composition of different extracts and fractions of Rubus caesius leaves
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Investigation on structural, optical and anti-bacterial properties of organic additives iron oxide prepared by chemical route method
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Dissolved and colloidal organic nitrogen removal from WWTP effluents and reject waters using physical-chemical processes
PublicationFour physical-chemical processes were compared in terms of the efficiencies of dissolved and colloidal organic nitrogen (DON and CON) removal from the secondary effluents (SE) and reject water from full-scale biological nutrient removal activated sludge systems. Adsorption on activated carbon was most efficient and allowed to remove from the SE up to 80% and 100% of DON and CON, respectively. High efficiencies of DON removal from...
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Determination of Chemical Diffusion Coefficient of Lithium Ions in Ceramics Derived from Pyrolysed Poly(1,2-dimethylsilazane) and Starch
PublicationThe apparent chemical diffusion coefficient Li+ (DappLI+) in pyrolysed poly(1,2-dimethylsilazane)/starch (PSN/S) (weight ratio: 30/70) ceramic anode composite is determined by galvanostatic intermittent titration technique (GITT). The electrode material composition is C6.00N0.14H0.47O0.12Si0.13. The calculated values of DappLI+, depend on the applied potential, vary from 10-14 to 10-9 [cm2/s]. The diffusion coefficient of lithium...
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Quantum chemical modeling (DFT) of active species on the VWO catalyst surface in various redox conditions
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Estimation of Potential Leakage from Dumped Chemical Munitions in the Baltic Sea Based on Two Different Modelling Approaches
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Chemical composition and antifungal activity of Chelidonium majus extracts – antagonistic action of chelerythrine and sanguinarine against Botrytis cinerea
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Physico‐chemical and proteolytic changes during cold storage of dry‐cured pork loins with probiotic strains ofLAB
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Chemical Composition and Antimicrobial Activity of Selected Essential Oils against Staphylococcus spp. Isolated from Human Semen
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Chemical Composition, Antioxidant, In Vitro and In Situ Antimicrobial, Antibiofilm, and Anti-Insect Activity of Cedar atlantica Essential Oil
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Influence of e-beam irradiation on the chemical and crystal structure of poly(aliphatic/aromatic-ester) multiblock thermoplastic elastomers
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Changes in chemical composition and oxidative stability of cold-pressed oils obtained from by-product roasted berry seeds
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Physico-Chemical Characterization and Biological Tests of Collagen/Silk Fibroin/Chitosan Scaffolds Cross-Linked by Dialdehyde Starch
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Mobility and bioavailability of mercury in sediments of the southern Baltic sea in relation to the chemical fractions of iron: Spatial and temporal patterns
PublicationMarine sediments play a significant role as reservoirs for mercury (Hg), a bioaccumulative toxic pollutant that poses risks to human and ecosystem health. Iron (Fe) has been recognized as an influential factor in the complexation and bioavailability of Hg in sediments. However, limited studies have investigated the interactions between the chemical fractions of these elements in natural settings. This study aims to examine the...
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Definicje schematów danych jako specjalizowane dialekty językowe na przykładzie XML Schema dla sektora energetycznego
PublicationRozdział przedstawia zagadnienie opracowania zbioru reguł (schematu) dla dokumentów XML i omawia celowość tworzenia takich schematów na przykładzie XML Schema dla sieci elektroenergetycznej.
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Mobility and bioavailability of mercury in sediments of the southern Baltic sea in relation to the chemical fractions of iron: Spatial and temporal patterns
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Influence of Phosphorus Speciation on Its Chemical Removal from Reject Water from Dewatering of Municipal Sewage Sludge
PublicationThe aim of the presented research was the assessment of phosphorus speciation impact on the precipitation of phosphorus in reject water using Ca(OH)2. To achieve this, phosphorus speciation (organic and inorganic phosphorus in suspension and in dissolved form) in reject water that is produced during sludge dewatering, after methane digestion in wastewater treatment plants (WWTPs), was determined. This study covered the materials...
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Chemical and biological evaluation of antioxidant activity of endogenous redox-active compounds compared to plant-derived exogenous antioxidants
PublicationThe research conducted so far has shown that endogenous antioxidants, despite being regarded as the first line of antioxidant defense, may not be sufficient to maintain redox homeostasis in cells exposed to oxidative stress. The results obtained in the doctoral dissertation show that endogenous redox-active compounds were moderate or weak scavengers of ABTS and DPPH radicals, while in cellular setting, their impact on the reducing...
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Correlation between chemical composition and the presence of selected groups of bacteria in freshwater samples collected from Isfjorden and Billefjorde
PublicationThe average concentrations of pollutants in the arctic water, snow and the atmosphere are much lower than those observed in the temperate climate. Specific conditions occurring in the polar regions have apotential to accumulate the pollutants transported from other parts of the world. In this study, attempts were made to find a correlation between selected chemical components and the bacterial population. The analysis involved...
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Chemical structures, rheological and physical properties of biopolyols prepared via solvothermal liquefaction of Enteromorpha and Zostera marina biomass
PublicationIn this work, liquefied biomass from the Baltic Sea was used for the preparation of rigid polyurethane (PUR) foams. The biomass contained 10 wt% of Enteromorpha macroalgae and 90 wt% of Zostera marina seagrass characterized by a high content of cellulose. The influence of time, temperature and the type of solvent on the efficiency of the liquefaction process and properties of biopolyols was determined. Obtained materials were analyzed...
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Interactions between polyphenolic antioxidants quercetin and naringenin dictate the distinctive redox-related chemical and biological behaviour of their mixtures
PublicationFood synergy concept is suggested to explain observations that isolated antioxidants are less bioactive than real foods containing them. However, mechanisms behind this discrepancy were hardly studied. Here, we demonstrate the profound impact of interactions between two common food flavonoids (individual: aglycones quercetin—Q and naringenin—N− or their glycosides rutin—R and naringin—N+ vs. mixed: QN− and RN+) on their electrochemical...
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Tribo-Environment Dependent Chemical Modification of Sliding Interfaces in Ultrananocrystalline Diamond Nanowall Film: A Correlation with Friction and Wear
PublicationTribological properties of ultrananocrystalline diamond nanowall (UNCD NW) films were investigated quantitatively in three different and controlled tribo-environmental conditions, proposing the passivation and graphitization mechanisms. However, these mechanisms are rather complicated and possibly can be understood in well-controlled tribological conditions. It was shown that the friction and wear of these films were high in highPage 1...
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Two-step Conversion of Crude Glycerol Generated by Biodiesel Production into Biopolyols: Synthesis, Structural and Physical Chemical Characterization
PublicationIn this work biopolyols were synthesized via two-step process from crude glycerol and castor oil. For better evaluation of analyzed process, the impact of its time and temperature on the structure and properties of biopolyols was determined. Obtained results fully justified conducting of synthesis in two steps. Prepared materials were characterized by hydroxyl value and water content comparable to polyols industrially applied in...
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Effect of bio-based components on the chemical structure, thermal stability and mechanical properties of green thermoplastic polyurethane elastomers
PublicationIt seems to be obvious that conditions changes during polyols synthesis have impact on the polyols properties. Even the chemical formula is the same or similar, physicochemical properties and also molecular weight of polyols might be different and are significant in term of future polyurethanes properties and processing. In this work, fully bio-based poly(propylene succinate)s synthesized at different temperature conditions were...
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Chemical surface etching methods for ground tire rubber as sustainable approach for environmentally-friendly composites development– a review
PublicationGround tire rubber (GTR) has been used as a sustainable low-cost modifier in various composites. However, due to the hydrophobic nature of GTR, it is in compatible with most matrices and results in deterioration in both mechanical and physical properties of composites. This necessitates pre-modification of the powdered rubber to improve the interfacial bonding at the rubber-matric interface. The most common GTR modification research...
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Modification of cellulosic filler with diisocyanates – volatile organic compounds emission assessment and stability of chemical structure over time
PublicationThis paper investigated the impact of type and content of diisocyanate on the structure of modified cellulose fillers. Four the most popular isocyanates were applied – isophorone, hexamethylene, toluene and methylene diphenyl diisocyanate – at loadings of 1–15 wt%. Chemical structure, and its short-term storage stability, were investigated for eight weeks. Moreover, the main volatile organic compounds detected during modification,...
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Influence of retrogression and reaging (RRA) heat treatment on microstructure, mechanical and chemical behaviour of an Al-Zn-Mg alloy
PublicationBadano metodą stałego wolnego rozciągania w wodzie morskiej wpływ czasu i temperatury nawrotu oraz powtórnego starzenia na czas do zniszczenia, energię zniszczenia, przewężenie i odkształcenie. Stwierdzono ogólnie niewielki wpływ, przy czym wzrostowi odporności na korozję naprężeniową towarzyszył spadek właściwości mechanicznych. Obserwowane zmiany właściwości przypisano zmianom struktury dyslokacyjnej i mikrostruktury.
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Poly(3,4-ethynenedioxythiophene)-Prussian Blue hybrid material evidence of direct chemical interaction betwenn PB andpEDOT
PublicationPrzedstawiono syntezę materiału złożonego z poli(3,4-etylenodioksytiofenu) oraz analogu błękitu pruskiego. Sieć struktury BP utworzona została wewnątrz matrycy polimerowej pEDOT-u za pomocą metody polaryzacji multicyklicznej. Chemiczne oddziaływania Fe z BP oraz siarki z pEDOT zostały potwierdzone metodą XPS. Obecność BP potwierdzono FTiR - stwierdzono obecność drgań rozciągających Fe-C oraz Fe-N. Metoda cyklowoltamperometryczna...
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Sample handling and determination of physico-chemical parameters in rime, hoarfrost, dew, fog and cloud water samples - a review
PublicationW pracy przedstawiono różne typy próbników stosowanych do pobierania próbek osadów atmosferycznych (szron, szadź, rosa, mgła i woda z chmur). Zaprezentowano urządzenia o różnym stopniu automatyzacji. W pracy przedstawiono również informacje literaturowe na temat oznaczania parametrów fizyko-chemicznych w próbkach osadów atmosferycznych z zastosowaniem odpowiednich technik pomiarowych.
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The results of physico – chemical monitoring of watercourses around the municipality of Gdańsk in 2016
Open Research DataThe dataset contains the results of a physico-chemical study of watercourses waters within the administrative boundaries of Gdańsk city in 2016. The examined material consisted of water samples collected from 16 watercourses (5 rivers, 6 streams, 2 storm water sewers, 1 artificial canal, 1 artificial arm of a river and 1 drainage trench) flowing directly...
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Graphene oxide thin films deposited on a PCB board - chemical analysis
Open Research DataGraphene oxides based films were measured by X-ray photoemission spectroscopy (XPS) method. TheXPS measurements were carried out with the Omicron NanoTechnology UHV equipment. The hemispherical spectrophotometer was equipped with a 128-channel collector. The XPS measurements were performed at room temperature at a pressure below 1.1 × 10−8 mBar. The...
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Obliczenia Kwantowe 2022
e-Learning CoursesInformatyka, stopien II, sem. II, studia stacjonarne
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Obliczenia Kwantowe 2024
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Obliczenia Kwantowe 2023
e-Learning CoursesInformatyka, stopien II, sem. II, studia stacjonarne
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Anna Lisowska-Oleksiak prof. dr hab.
PeopleAnna Lisowska-Oleksiak, born in 1952, has been working at GUT since 1977. Currently is employed at the Faculty of Chemistry as a full professor. She was employed as a research assistant at the University of St Andrews in the group of C. A. Vincent and P.G. Bruce (1991-1994). She completed a two-month research internship in CEA Grenoble (2011). Anna Lisowska-Oleksiak obtained her MSc in chemistry at Nicolaus Copernicus University...
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Regularization as quantization in reducible representations of CCR
PublicationOpis kwantowego pola elektromagnetycznego przy pomocy redukowalnych reprezentacji CCR prowadzi do automatycznej regularyzacji teorii. Sformułowanie jest jawnie relatywistycznie współzmiennicze. Przeanalizowano - jako przykład - pola kwantowe wytwarzane przez klasyczne źródła.
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Theoretical study of polymerization mechanism of p-xylylene based polymers
PublicationObliczenia kwantowe mechanizmu polimeryzacji parylenów, opartych o cząsteczki p-ksylilenów. Praca zawiera wyniki szczegółowych obliczeń wszystkich etapów polimeryzacji, wnioski dotyczące znalezionych stanów kwantowych i energetyki poszczególnych etapów procesu.
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Mechanika Kwantowa II 2022/2023
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Single-dopant organic white electrophosphorescent diodes with very high efficiency and its reduced current density roll-off
PublicationW pracy opisano konstrukcję wysokowydajnej diody elektrofosforescencyjnej zawierającej domieszkę organicznego kompleksu platyny PtL2Cl (L oznacza organiczny ligand). Dioda emituje światło białe które pochodzi od ekscymerów świecących w czerwieni i wzbudzonych monomerów świecących w części niebieskiej widma. Kwantowa wydajność świecenia diody wynosi ok. 15% i słabo maleje ze wzrostem gęstości płynącego prądu elektrycznego.
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Quantum aspects of semantic analysis and symbolic artificial intelligence.
PublicationNowoczesne podejścia do analizy semantycznej, jeśli przeformułować je w język przestrzeni Hilberta, ujawniają formalne struktury znane z mechaniki kwantowej. Podobna sytuacja występuje w rozproszonych reprezentacjach struktur poznawczych rozwijanych na użytek sieci neuronowych. W pracy przyglądamy się różnicom i podobieństwom owych teorii do kwantowej teorii informacji.
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Justyna Płotka-Wasylka dr hab. inż.
PeopleUrodziła się w Słupsku (24.03.1986).W 2005 roku ukończyła I Liceum Ogólnokształcące im. Jana II Sobieskiego w Wejherowie i rozpoczęła studia na Wydziale Chemicznym Politechniki Gdańskiej. Po ich ukończeniu w 2010 rozpoczęła pracę naukową na tej uczelni, uzyskując w 2014 roku stopień doktora nauk chemicznych. Tematem jej rozprawy doktorskiej, wykonywanej pod kierunkiem prof. Marka Biziuka oraz dr Caluma Morrisona (Uniwersytet w...