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Search results for: crystal%20structure
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An EXAFS study of the local structure of rare-earth luminescence centres in the Ca3Ga2Ge3O12 glass
PublicationW pracy przedstawiono wyniki analizy EXAFS danych mierzonych na krawędzi L3 atomów ziem rzadkich takich jak Eu, Ho (0.7 wt.%) oraz Er (1.46 wt.%), którymi domieszkowano szkło 3CaO-Ga2O3-3GeO2. Otrzymane parametry strukturalne opisujące pierwszą powłokę koordynacyjną badanych atomów wskazują, że ich lokalne otoczenie tlenkowe jest jednakowe (niezależne od typu jonu ziemi rzadkiej) i uwzględniając strukturalny nieporządek bardzo...
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Detection of roles of actors in social networks using the properties of actors' neighborhood structure.
PublicationArtykuł opisuje metodę identyfikacji ról aktorów sieci społecznej. Metoda ta może być szczególnie przydatna w sieciach społecznych, o których posiadamy ograniczoną wiedzę, głównie zawężoną do lokalnych powiązań pomiędzy aktorami. Przedstawiona w artykule metoda korzysta z grafu relacji społecznych, algorytmu identyfikacji ról oraz zbioru grafów wzorców relacji. Rozwiązanie zostało przetestowane w społeczności użytkowników serwisu...
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Influence of the rare-earth impurities on the Ga and Ge local structure in the Ca3Ga2Ge3O12 glass
PublicationW pracy przedstawione zostały wyniki analizy EXAFS realizowanejza pomocą metody GNXAS dla serii szkieł typu Ca3Ga2Ge3O12 domieszkowanych metalami ziem rzadkich (0.7 wt.% - Ce, Eu, Ho, Er; oraz 1.0 wt.% Nd). Badaniu poddano lokalne otoczenie wokół jonów Ge i Ga. Porównanie wyników z danymi strukturalnymi otrzymanymi dla szkła niedomieszkowanego wskazuje, że domieszka metali ziem rzadkich modyfikuje jedynie otoczenie jonów galu,...
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Structure-activity relationship studies on the antimicrobial activity of novel edeine a and d analogues
PublicationOpisano syntezę 4 nowych analogów peptydowego antybiotyku, edeiny a i d z wykorzystaniem klasycznej syntezy w roztworze. Stosowano metodę estrów aktywnych oraz metodę azydową do tworzenia wiązań peptydowych. Zbadano także aktywność przeciwgrzybową i przeciwbakteryjną opisanych połączeń.
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Influence of the structure of vanadate-phosphate glasses containing alkali ions on their polaronic properties
PublicationBadano wpływ struktury szkieł wanadanowo-fosforanowych zawierających jony metali alkalicznych na ich właściwości polaronowe metodą NMR.
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Imidazo-thiazine, -diazinone and -diazepinone derivatives. Synthesis, structure and benzodiazepine receptor binding
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Exploring the structure–property schemes in anion–π systems of d-block metalates
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Neurohypophyseal Receptors-Ligands: Where We Are After the Landmark Rhodopsin Structure Determination
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Increasing the conductivity of V2O5 -TeO2 glass by crystallization: structure and charge transfer studies
PublicationIn the present paper, V2O5-TeO2 glass...
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Evaluating the performance of inverted pavement structure using the accelerated pavement test (APT)
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Structure of Kα1,2 - and Kβ1,3 -emission x-ray spectra for Se, Y, and Zr
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The Righi-Leduc effect: on evidence of two-band electronic structure in Nd1.86Ce0.14CuO4-y.
PublicationPrzedstawiono badania temperaturowe zależności oporu elektrycznego, efektu Halla (RH), przewodnictwa cieplnego (k) i współczynnika Righi-Leduc(SRL). Badania wykazały, że współczynnik RL> 0 w szerokim zakresie temperatur RH zmienia znak dwukrotnie w T=50 i 250K. Niezgodność znaków SRL i RH jednoznacznie wskazuje obecność w materiale nośników obu znaków tzn. n- i p- typu. W pracy pokazano, że transport ciepła zdominowany jest przez...
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Isolation and structure of a covalent cross-link adduct between mitomycin C and DNA
PublicationA DNA cross-link adduct of the antitumor agent mitomycin C (MC) to DNA has been isolated and characterized; the results provide direct proof for bifunctional alkylation of DNA by MC. Exposure of MC to Micrococcus luteus DNA under reductive conditions and subsequent nuclease digestion yielded adducts formed between MC and deoxyguanosine residues. In addition to the two known monoadducts, a bisadduct was obtained. Reductive MC activation...
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The synthesis and structure of a potential immunosuppressant: N-mycophenoyl malonic acid dimethyl ester
PublicationThe 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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Design and experimental verification of multi-layer waveguide using pin/hole structure
PublicationThis study presents a novel technique for minimizing RF leakage in metallic hollow waveguides fabricated using the multilayer split-block method. By integrating a pin/hole wall into the split-block multilayers, a substantial reduction of RF leakage can be achieved while reducing the circuit size and mitigating the performance variations. To validate the proposed approach, a slot antenna fed by single ridge waveguide has been prototyped...
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Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
PublicationDensity functional theory (DFT) is often used for simulating extended materials such as infinite crystals or surfaces, under periodic boundary conditions (PBCs). In such calculations, when the simulation cell has non-zero charge, electrical neutrality has to be imposed, and this is often done via a uniform background charge of opposite sign (“jellium”). This artificial neutralization does not occur in reality, where a different...
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Polypropylene structure alterations after 5 years of natural degradation in a waste landfill
PublicationUp to 25% of plastic waste in Europe is still disposed of in landfills, despite recycling efforts. The plastic waste in the landfill plot may be exposed both to abiotic and biotic degradation processes, although it is thought that most of the plastic materials tend to be resistant to biodegradation or biodeterioration even after a long time. To verify if polypropylene (PP) can undergo the process of short-term biodegradation and...
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Fluid–Structure Interaction methods for the progressive anatomical and artificial aortic valve stenosis
PublicationCardiovascular system diseases, as aortic valve stenosis, are the main cause of mortality and morbidity among patients. There is still a room for enhancement of the diagnostic and therapeutic procedures, which will lead to improvement of the treatment. One of the remedies are the computer tools to support the medical diagnoses and prostheses design. The development of a procedure for modeling the aortic valves: anatomical tricuspid...
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Increasing the conductivity of V2O5-TeO2 glass by crystallization: structure and charge transfer studies
PublicationIn the present paper, V 2 O 5 -TeO 2 glass was prepared by the melt-quenching technique. Crystallization of glass with a vanadium content higher than 35%mol results in an increase in electrical conductivity by a few orders of magnitude and a decrease in activation energy from ~0.40 to ~0.12 eV. In this work, a critical review of existing charge transfer models was presented on the example of V 2 O 5 -TeO 2 glass and glass–ceramics....
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Structure and magnetic properties of BeO-Fe2O3-Al2O3-TeO2 glass-ceramic composites
PublicationIn this work, glass-ceramics in the xBeO–20Fe2O3–(80-x)TeO2 system with x = 0–25 mol% were synthesized by the traditional melt quenching route and studied by inductively coupled plasma optical emission spectroscopy, X-ray diffraction, confocal microscopy, infrared and Raman spectroscopy. BeO addition was found to support the crystallization process of Fe2O3 during melting, and an increased BeO content was associated with an increased...
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Structure and transport properties of triple-conducting BaxSr1−xTi1−yFeyO3−δ oxides
PublicationIn this work, BaxSr1−xTi1−yFeyO3−δ perovskite-based mixed conducting ceramics (for x = 0, 0.2, 0.5 and y = 0.1, 0.8) were synthesized and studied. The structural analysis based on the X-ray diffraction results showed significant changes in the unit cell volume and Fe(Ti)–O distance as a function of Ba content. The morphology of the synthesized samples studied by means of scanning electron microscopy has shown different microstructures...
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Structure and thermoelectric properties of nickel-doped copper selenide synthesised in a hydrogen atmosphere
PublicationNickel-doped copper selenide—Cu2-xNixSe (x = 0; 0.01; 0.02; 0.03)—materials with high thermoelectric properties were synthesised through reduction of reagents in hydrogen. The impact of the nickel content on both the microstructure and thermoelectric properties was examined. The nickel-doped samples’ microstructure differed significantly from pristine copper selenide. Besides Cu2Se, copper precipitations were present in the materials....
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Multifaceted Analyses of Four Different Prototype Lightweight Photovoltaic Modules of Novel Structure
PublicationDynamic growth of photovoltaic capacity in Poland encourages many entities to invest in photovoltaic systems. However, in the case of buildings with low roof-bearing capacity it can be problematic or even impossible to mount conventional PV modules due to their relatively high weight. Hence, the use of lightweight PV modules is a potential solution. In this paper four different prototype silicon lightweight modules of novel structure...
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Design of a Patch Power Divider with Simple Structure and Ultra-Broadband Harmonics Suppression
PublicationThis paper introduces a simple H-shaped patch Wilkinson power divider (WPD), which provides ultra wide harmonics suppression band. The presented WPD designed at 1.8 GHz, and exhibits good performance at the operating bandwidth. In the proposed divider structure, two simple patch low-pass filters (LPFs) are employed at each branch, and three open ended stubs are added at each port. The proposed divider, implemented using the aforementioned...
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Interrelations between Travel Patterns and Urban Spatial Structure of the Largest Russian Cities
PublicationThe study presented within this dissertation involves the analysis of the relationship between urban spatial structure and travel patterns in the largest Russian cities. It is an empirical investigation of how the spatial structure, formed during the Soviet and post-Soviet periods, affects the travel patterns in the largest cities of contemporary Russia. It aims to determine what measures, both urban structure and transportation...
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Temperature-controlled nanomosaics of AuCu bimetallic structure towards smart light management
PublicationGold–copper nanostructures are promising in solar-driven processes because of their optical, photocatalytic and photoelectrochemical properties, especially those which result from the synergy between the two metals. Increasing interest in their internal structure, such as the composition or distribution of the Au and Cu as well as the size and shape of the nanoparticles, have developed to define their physicochemical properties. In...
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Current Trends in Wick Structure Construction in Loop Heat Pipes Applications: A Review
PublicationThermal control systems have been introduced as an important part of electronic devices, enabling thermal management of their electronic components. Loop heat pipe (LHP) is a passive two-phase heat transfer device with significant potential for numerous applications, such as aerospace applications, high-power LEDs, and solar central receivers. Its advantages are high heat transfer capability, low thermal resistance, long-distance...
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Influence of Hydrogenation on Morphology, Chemical Structure and Photocatalytic Efficiency of Graphitic Carbon Nitride
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Reclaimed Rubber/Poly(ε‐caprolactone) Blends: Structure, Mechanical, and Thermal Properties
PublicationThe amount of elastomeric waste, especially from tires is constantly increasing on a global scale. The recycling of these residua should be considered a priority. Compounding the waste rubbers with other polymers can be an excellent alternative to reuse waste materials. This procedure requires solving the issue of the lack of compatibility between the waste rubber particles and other polymers. Simultaneously, there is a claim for...
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Preparation and structure of nanocrystalline sol-gel derived Cu doped LiTi2O4 powders
PublicationAmong the spinel oxides materials, lithium titanate (Li1+xTi2-xO4 where 0 ≤ x ≤ 0.33) could be very interested from pratical applications point of view. Lithium titanate is a II type spinel oxide superconductor with relatively high (~13 K for x = 0) superconducting transition temperature Tc. Above Tc lithium titanate shows metallic behaviour and can be used e.g. as electrodes for rechargeable lithium-ion batteries. Since the discovery...
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Discrete modeling of micro-structure evolution during concrete fracture using DEM
PublicationW artykule pokazano wyniki dyskretne DEM dla betonu poddanego ściskaniu i rozciąganiu jednoosiowemu. Wyniki siła-przemieszczenie i zarysowania porównano z doświadczeniami. Szczególną uwagę zwrócono na zjawiska mikrostrukturalne podczas zarysowania na poziomie kruszywa.
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Effect of aggregate structure on fracture process in concrete using 2D lattice model
PublicationArtykuł przedstawia symulacje rys w betonie przy zastosowaniu nowego modelu siatkowego. Zbadano wpływ rozkładu i wielkości kruszywa oraz wpływ strefy kontaktu na nośność i propagacje rys. Obliczenia były dwuwymiarowe.
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DEM modelling of concrete fracture based on its structure micro-CT images
PublicationW rozdziale książki zawarto numeryczne wyniki mezoskopowe dotyczące postępującego pękania betonu na poziomie kruszywa. Do badania procesu pękania belki betonowej z karbem w trzech (3D) i dwóch (2D) wymiarach zastosowano metodę elementów dyskretnych (DEM). Niejednorodność betonu uwzględniono stosując czterofazowy opis: kruszywo, zaprawa, makropustki i międzyfazowe strefy przejściowe. W obliczeniach DEM na podstawie zdjęć rentgenowskich...
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Innovative Web-Based Geographic Information System for Municipal Areas and Coastal Zone Security and Threat Monitoring Using EO Satellite Data
PublicationThe paper presents a novel design of a Web-based Safe City & Coastal Zone GIS (SCCZ-GIS). The system integrates data acquired from different remote sensing and geospatial data sources for the purpose monitoring the security of the coastal zone, its inhabitants and Critical Infrastructure. The system utilises several innovative technologies and solutions, and is capable of direct co-operation with different remote sensing data sources...
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Corrigendum to “Impact of intense rains and flooding on mercury riverine input to the coastal zone” [Mar. Pollut. Bull. 127 (2018) 593–602]
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A New Approach for Investigating the Impact of Pesticides and Nutrient Flux from Agricultural Holdings and Land-Use Structures on Baltic Sea Coastal Waters
PublicationKnowledge related to land-use management impacts on the Baltic Sea ecosystem is limited. The constant release of pollutants into water bodies has resulted in water quality degradation. Therefore, only the innovative approaches integrated with research will provide accurate solutions and methods for proper environment management and will enable understanding and prediction of the impacts of land-use in the Baltic Sea region. Modelling...
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A Vision of Sustainable Design Concepts for Upgrading Vulnerable Coastal Areas in Light of Climate Change Impacts: A Case Study from Beirut, Lebanon
PublicationRapid urbanization combined with the effects of climate change has increased the vulnerability of poor urban communities to natural hazards, particularly to informal settlements located in coastal areas. Apart from socio-economic challenges, the effects of climate change threaten the very existence of these settlements. They are particularly vulnerable due to their poor structural quality and lack of adequate infrastructure to...
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Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular and supramolecular structures and photoluminescence properties of Pb(ii) polymers
PublicationTo evaluate the impact of the flexible positional isomeric ligands thiophene-2-acetate (2tpacCOO) andthiophene-3-acetate (3tpacCOO) on the construction and self-assembly process of Pb(II) polymers, twonovel compounds, [Pb(2tpacCOO)2(H2O)]n(1) and [Pb(3tpacCOO)2]n(2), were preparedviaanonhydro-thermal method with respect to green chemistry rules. The obtained polymers were fully characterized byelemental analysis, TG/DTG and PXRD,...
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Superconducting SrSnP with Strong Sn–P Antibonding Interaction: Is the Sn Atom Single or Mixed Valent?
PublicationThe large single crystals of SrSnP were prepared using Sn self-flux method. The superconductivity in the tetragonal SrSnP is observed with the critical temperature of ∼2.3 K. The results of a crystallographic analysis, superconducting characterization, and theoretical assessment of tetragonal SrSnP are presented. The SrSnP crystallizes in the CaGaN structure type with space group P4/nmm (S.G. 129, Pearson symbol tP6) according...
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Eu2Mg3Bi4: Competing Magnetic Orders on a Buckled Honeycomb Lattice
PublicationThe honeycomb lattice and its derived variants provide information on modeling and designing quantum magnets. A novel magnetic material, Eu2Mg3Bi4, which stabilizes in a previously unknown buckled honeycomb lattice, was discovered by high-pressure and high-temperature methods. We report here on the synthesis exploration of pure single crystals, structural determination of the buckled honeycomb lattice of europium moments, and experimental observation...
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La 15 Nb x Ge 9 : a superstructure of the Mn 5 Si 3 structure type with interstitial Nb atoms
PublicationThe crystal structure and elementary properties of La15NbxGe9 are reported. Single-crystal X-ray diffraction,from a crystallite with only 0.12 Nb/formula unit, reveals that this compound, although transition metal deficient, crystallizes in a hexagonal “15-1-9”-like structure type, space group P63mc (no. 186) with lattice parameters a = b = 15.5017(2) Å, c = 6.9173(2) Å. The physical properties were examined by specific heat and resistivity...
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Piezo 2011, Electroceramics for End-Users VI
PublicationThis work extends a power harvesting with using piezoelectric materials. Experimental presents the development of a piezoelectric MEMS generator which has the ability to scavenge mechanical energy of ambient vibrations from their surroundings and transform it into electrical energy that can be used in energy storage applications. Recent literature shows that piezoelectric transduction has received the most attention for vibration-to-electricity...
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Modeling of the alcohol dehydrogenase active site. Two different modes of alcohol binding in crystals of zinc and cadmium tri-tert-butoxysilanethiolates evidenced by X-ray diffraction and solid state vibrational spectroscopy
PublicationOpisano syntezę, struktury cząsteczkowe oraz widma FT-IR, 1H. 13C, 29Si, 113Cd NMR dziesięciu nowych, mieszanoligandowych kompleksów cynku i kadmu z ligandem tri-tert-butoksysilanotiolanowym i pochodnymi imidazolu. Za pomocą rentgenowskiej analizy strukturalnej i spektroskopii w podczerwieni udokumentowano dwa różne sposoby wiązania etanolu i metanolu w kryształach tych związków. Opisane kompleksy stanowią modele miejsca aktywnego...
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Luminescent properties of Tb and Eu activated AxB1-xAlO3 (A = Y, Lu, Gd; B = Lu; x = 0, 0.5, 1) mixed oxides crystals prepared by micro-pulling-down method
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Structural motifs in the Cu(II), Mn(II) and Zn(II) complexes based on N,N,N-donor dipodal or N,N,N,N-donor tripodal ligands obtained in situ: Synthesis, crystal structures and xanthine oxidase inhibition properties
PublicationA series of four novel transition metal complexes, [Cu(NCS)2L1] (1), [Mn(NCS)2L1] (2) where L1 = bis(1-(3,5-dimethylpyrazolyl)methyl)amine, [Mn(NCS)2L2] (3) and [Zn(NCS)L2]2[Zn(NCS)4] (4) where L2 = tris(1-(3,5-dimethylpyrazolyl)methyl)amine, has been obtained in situ by a one-step, one-pot synthetic path starting from 1-hydroxymethyl-3,5-dimethylpyrazole (L). The isolated complexes were fully characterised by elemental analysis,...
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An Analysis of Elliptical-Rectangular Multipatch Structure on Dielectric-Coated Confocal and Nonconfocal Elliptic Cylinders
PublicationA rigorous analysis of the resonance frequency problem of an elliptical-rectangular microstrip structure mounted on dielectric-coated elliptic conducting cylinder, with electrically small radius, is investigated in this paper. A full-wave analysis and a moment-method calculation are employed. The analysis is carried out considering the expansion of the field as a series of Mathieu functions. The complex resonance frequencies of...
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Structure, morphology and mechanical behaviour of novel bio-based polyurethane composites with microcrystalline cellulose
PublicationThe aim of this work was to obtain bio-based polyurethane composites using biocomponents such as, bio-glycol, modified natural oil-based polyol, and microcrystalline cellulose (MCC). The prepolymer method was used to prepare the bio-based polyurethane matrix. Prepolymer synthesised from 4,4’-diphenylmethane diisocyanate (MDI) and a polyol mixture containing 75% wt. commercial polyether and 25% wt. hydroxylated soybean oils (H3)...
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The effect of calcination temperature on structure and photocatalytic properties of Au/Pd nanoparticles supported on TiO2
PublicationBimetallic nanoparticles, composed of two different metal elements, can exhibit peculiar electronic, optical, and catalytic or photocatalytic properties that are absent in the corresponding monometallic nanoparticles. We show the effect of calcination temperature (from 350 to 700°C) on the structure and the photocatalytic properties of Au/Pd-modified TiO2. The composition of the bimetallic Au/Pd nanoparticles in relation to their...
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Set of Experience Knowledge Structure (SOEKS) and Decisional DNA (DDNA): Past, Present and Future
PublicationThis article reviews research work on set of experience knowledge structure (SOEKS)-decisional DNA (DDNA) done in the past, ongoing, and planned for the future. Firstly, the concept of the knowledge representation technique of SOEKS-DDNA is discussed, and then an attempt is made to organize the past research related with it in chronological order. This work focuses on the review on SOEKS-DDNA, its application in different domains,...
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Seasonal variability and morphological structure of bacteria in the Admiralty Bay (King George Island, Antarctic).
PublicationIntroduction: The aim of investigations was to state whether melting glaciers cause mass mortality of the sea stenohalyne organisms, what in consequence can lead to an increase of accumulation and growth of psychrophilic bacteria. It may be also that fresh melting water is unfavourable to the sea bacteria and front glacier's regions are not the areas of their intensive development. Methods: Field investigations were done in Admiralty...