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Search results for: PROTEIN–STRUCTURE PREDICTION.
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Conductivity, structure, and thermodynamics of Y2Ti2O7–Y3NbO7 solid solutions
PublicationThe defect fluorite yttrium niobate Y3NbO7 and pyrochlore yttrium titanate Y2Ti2O7 solid solutions have been synthesized via a solid state synthesis route. The resulting stoichiometry of the oxides is Y2+xTi2−2xNbxO7, where x = 0 to x = 1. All of the samples were single-phase; however, for those with a predominant fluorite phase, a small amount of additional pyrochlore phase was detected. The volume of the solid solution unit cells...
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CdS Nanocrystallines: Synthesis, Structure and Nonlinear Optical Properties
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Electronic structure and physical properties of EuAuAs single crystal
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Study of structure of porous biomaterials. Application of ultrasonic method
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A complex variable fractional-delay FIR filter structure
PublicationW artykule wprowadzamy strukturę zespolonego filtru o skończonej odpowiedzi impulsowej (ang. finite impulse response - FIR) ze zmiennym opóźnieniem ułamkowym (ang. fractional delay - FD). Strukturę tę otrzymujemy na podstawie przestrajanego filtru FD FIR o współczynnikach rzeczywistych. Stanowi ona połączenie zbioru liniowo-fazowych filtrów FIR o współczynnikach stałych rzeczywistych i dwóch łańcuchów mnożąco-akumulujących, zawierających...
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Enhancing the set of experience knowledge structure as a reflexive ontology
PublicationPrzedstawiono mechanizm wspomagania reprezentacji wiedzy wyrażonej w postaci zbioru doświadczeń przy pomocy ontologii.
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The structure of levorin A3, a minor component of levorin complex
PublicationBudowa chemiczna składnika kompleksu leworyn, leworyny A3, została ustalona na podstawie analizy z wykorzystaniem metod spektroskopowych UV, MS i NMR metoksykarbonylometyloamido pochodnej leworyny A3. Widmo UV wskazało obecność chromoforu heptaenowego. Ciężar cząsteczkowy leworyny A3 ustalono jako 1110 j.m. za pomocą spektrometrii masowej z wykorzystaniem techniki FAB, co po uwzględnieniu uwarunkowań biogenetycznych pozwoliło wydedukować...
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Set of experience : a knowledge structure for formal decision events
PublicationOmówiono strukturę wiedzy w obszarze formalnych zadań decyzyjnych. Zaproponowano zbiór doświadczeń jako podstawę tej struktury.
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Using XML for implementing set of experience knowledge structure
PublicationPrzedstawiono implementację struktury wiedzy na platformie języka XML. Omówiono zalety implementacji w XML.
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Diagnosis and rehabilitation of timber elements in housing of traditional structure.
PublicationW pracy zaproponowano klasyfikację charakterystycznych, najbardziej narażonych na deteriorację miejsc w budynku mieszkalnym, które mogą wymagać rehabilitacji drewnianych elementów konstrukcyjnych. Rozpatrzono budynek "modelowy", zakładając, że jest on obiektem o typowej, powszechnie kiedyś stosowanej technologii. Omówiono podstawowe problemy dotyczące rehabilitacji konstrukcji drewnianych.
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Intelligent control structure for control of integrated wastewater systems.
PublicationArtykuł przedstawia podejście do tworzenia struktury sterowania zintegrowanym systemem oczyszczania ścieków (sieć kanalizacyjna- oczyszczalnia ścieków), w pełnym zakresie jego obciążeń hydraulicznych. System sterowania jest hierarchicznie zdekomponowany, tworząc wielopoziomową-wielowarstwową. Główną technologią sterowania wykorzystaną na poziomie optymalizacyjnym jest krzepkie sterowanie predykcyjne (RMPC) przy obecności niepewności...
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The function and structure of entrance examination on faculty of architecture in Poland.
PublicationArtykuł prezentuje zastosowanie aksonometrii do oceny wyobraźni przestrzennej i pośrednio do selekcji kandydatów na Wydział Architektury. Na przykładzie kilku oryginalnych zadań wskazuje się na potrzebę prowadzenia ciągłej kontroli jakości zadań testowych. Jakościowe i ilościowe procedury służące do oceny zadań bazują na teorii pomiaru dydaktycznego i koncentrują się potwierdzeniu odpowiedniego poziomu rzetelności, trafności i...
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Porous structure of clinoptilolite and problems connected with its characterization.
PublicationPrzedstawiono: stan wiedzy nt technik oznaczania porowatości i powierzchni właściwej różnego typu materiałów, oraz wyniki badań fizykochemicznych naturalnych zeolitów pochodzących z obszaru Zakarpacia (Ukraina).
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Impedance measurements of skin layered structure for burns determination.
PublicationW pracy analizowany jest dwuwarstwowy model skóry. Pokazano, że za pomocą wielokrotnych pomiarów immitancyjnych jest możliwe wyznaczenia zarówno parametrów elektrycznych oparzonej skóry jak i geometrycznych. Przedstawiono algorytm estymacji i procedurę pomiarową wyżej wymienionych parametrów.
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Land use structure determinants for the Gdańsk Shipyard Area.
PublicationArtykuł zawiera omówienie uwarunkowań ogólnomiejskich rozwoju terenów postoczniowych w Gdańsku - obszaru tzw. Młodego Miasta. W szczególności ujęte w nim zostały kwestie odnoszące się do lokalizacji obszaru, jego potencjału rozwojowego, a także analiza szans rozwojowych nowego programu miejskiego w obszarze Aglomeracji Gdańskiej.
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Structure and electric properties of double magnesium zirconium orthophosphate
PublicationPublikacja przedstawia wyniki pomiarów elektrycznych i strukturalnych ortofosforanu magnezowo-cyrkonowego.
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Behaviour of Fascia-Implant Structure under the Impulse Pressure
PublicationW pracy przedstawiono badania eksperymentalne wykonane dla modeli zaoperowanych przepuklin brzusznych poddanych impulsowemu działaniu ciśnienia, analogicznego do kaszlu pooperacyjnego. Zbudowano 57 modeli zgodnie ze sztuką oparacji laparoskopowej, z użyciem powiezi świńskiej, pięciu typów implantów i pięciu rodzajów łączników. Opisano otrzymane wyniki wskazując na mocniejsze i słabsze rozwiązania operacyjne.
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Relation between Structure and Magnetic Properties of Microstructured PrAlO3
PublicationPrzedstawiono porównanie właściwości magnetycznych perowskitowego związku PrAlO3 i mikrostrukturalne wersji w formie eutektycznej PrAlO3 - PrAl11O18.
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Silo music - mechanism of dynamic flow and structure interaction
PublicationArtykuł omawia zjawisko muzyki silosowe. Wykonano pomiary dynamiczne przyspieszeń, częstotliwości i postaci drgań własnych. Zaproponowano nowa hipotezę powstawania efektów dynamicznych podczas przepływu silosowego.
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Silo music - mechanism of dynamic flow and structure interaction
PublicationArtykuł omawia zjawisko muzyki silosowej. Wykonano pomiary dynamiczne przyspieszeń, częstotliwości i postaci drgań własnych. Zaproponowano nowa hipotezę powstawania efektów dynamicznych podczas przepływu silosowego.
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Polar boundary conditions along a soil structure interface.
PublicationAnalizowano problem strefy kontaktu między gruntem a konstrukcją. Obliczenia wykonano stosując mikropolarne prawo sprężysto-plastyczne oraz mikropolarne prawo hipoplastyczne. Analizie poddano problem płynięcia silosowego oraz ścinania wąskiej warstwy.
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Support Product Development Framework by Means of Set of Experience Knowledge Structure (SOEKS) and Decisional DNA
PublicationIn this paper, we propose a framework to support product development activi-ties by utilizing Set of Experience Knowledge Structure (SOEKS) and Decisional DNA (DDNA). This idea will provide a new direction to researchers working on product development, especially designers and manufacturers. They will be working on the same platform and this will be reducing their communication gap. Once the final idea is perceived about product...
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Power control system structure of doubly‐fed induction generator connected to current source converter
PublicationThe power control system structures for a doubly-fed generator (DFIG) are proposed. The classical field oriented control and the feedback control with the multi-scalar variables were considered. The generator is working in the AC grid connection mode. The rotor side of the generator is connected to the current source converter (CSC); the stator is directly related to the AC grid. The static feedback linearization using the multi-scalar...
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Synthesis, Structure and Properties of Poly(ester-Urethane-Urea)s Synthesized Using Biobased Diamine
PublicationModern polymer science and technology is focused on the development of partial or fully green polymers. This focus is related to green chemistry trends, which propose using natural and renewable resources as monomers in the synthesis of polymers. In this study, biobased diamine was used as a chain extender of ester-urethane prepolymer. Obtained poly(ester-urethane-urea) contains 16 wt% of biobased diamine. There is mention of an...
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New lanthanide–CB[6] coordination compounds: relationships between the crystal structure and luminescent properties
PublicationThe reaction between cucurbit[6]uril (CB[6]) and lanthanide chlorides (Eu, Sm, Tb and Tm) in acidic aqueous media led to four new structures. The compounds obtained are isostructural with general formula [Ln2(H2O)12(H2O@CB[6])]Cl6(H2O)4 (Ln = Eu3+ (1), Sm3+ (2), Tb3+ (3) and Tm3+ (4)) and crystallize in the P21/c space group. For the complexes with Eu3+, Sm3+ and Tb3+, the luminescent properties in the solid state and aqueous media...
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The influence of chemical composition of amide block on the thermal properties and structure of terpoly(ester-b-ether-b-amide) elastomers
PublicationMultiblock terpolymers-(PBT-b-PTMO-b-PA12,10)(n)- constituting the polymer systems, in which one of the three blocks (PBT) does not dissolve in PA12,10 block (hard phase) and, depending on its molecular weight is slightly soluble in PTMO block (soft phase), have been obtained. The DSC method was applied to investigate the thermal properties of these polymers and it was found that PBT block acts as an element that produces stiffness...
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Structure of the register of immovable monuments in terms of the number of large-scale monuments by voivodeship – comparison of 2003 and 2024
Open Research DataThe following dataset compares the structure of the register of immovable monuments in Poland regarding the number of large-scale monuments by voivodeship for 2003 and 2024. In 2003, the large-scale monuments accounted for only 1.4% of all the immovable monuments. However, in 2024, their number has more than doubled, indicating significant growth.
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The influence of crude glycerol and castor oil-based polyol on the structure and performance of rigid polyurethane-polyisocyanurate foams
PublicationIn this work, biopolyol obtained from two types of industrial crops’ processing products: crude glycerol and castor oil was used for preparation or rigid polyurethane-polyisocyanurate foams. Bio-based polyol was obtained via crude glycerol polymerization and further condensation of resulting polyglycerol with castor oil. Rigid polyurethane-polyisocyanurate foams were prepared at partial substitution (0–70 wt.%) of petrochemical...
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Probabilistic assessment of SMRFs with infill masonry walls incorporating nonlinear soil-structure interaction
PublicationInfill Masonry Walls (IMWs) are used in the perimeter of a building to separate the inner and outer space. IMWs may affect the lateral behavior of buildings, while they are different from those partition walls that separate two inner spaces. This study focused on the seismic vulnerability assessment of Steel Moment-Resisting Frames (SMRFs) assuming different placement of IMWs incorporating nonlinear Soil-Structure Interaction (SSI)....
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Relationship between Chemical Structure and Biological Activity Evaluated In Vitro for Six Anthocyanidins Most Commonly Occurring in Edible Plants
PublicationNumerous studies have provided evidence that diets rich in anthocyanins show a broad spectrum of health benefits. Anthocyanins in nature are usually found in the form of glycosides. Their aglycone forms are called anthocyanidins. The chemical structure of anthocyanins is based on the flavylium cation, but they differ in the position and number of substituents. However, the bioactives and foods that contain them are frequently treated...
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The interplay between dopant and a surface structure of the photocatalyst – The case study of Nb-doped faceted TiO2
PublicationAnatase nanoparticles, exposing the majority of the {0 0 1}, {1 0 0} and {1 0 1} facets were synthesized and doped with different niobium amount to investigate the self-trapping of the excess electrons and resulting photocatalytic activity. Photocatalyst structure and presence of excess electrons inside the obtained Nb-doped anatase samples was confirmed by the combination of structural and spectroscopic analyses. Only for the...
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Wyznaczanie współczynnika przejmowania ciepła podczas wrzenia w przepływie dwutlenku węgla (Prediction of flow boling heat transfer coefficient for carbon dioxide in minichannels)
PublicationW pracy przedstawiono wyniki obliczeń uzyskane za pomocą własnego modelu półemirycznego dla wybranych danych eksperymentalnych dla wrzenia w przepływie dwutlenku węgla. Metoda obliczeniowa została zweryfikowana z danymi eksperymentalnymi Docoulombiera i innych (2011) oraz Mastrullo i innych (2009). Badania eksperymentalne dotyczą pełnego zakresu zmienności stopnia suchości oraz zakresu prędkości masowej G=200-1200 kg/m2s. rozwijany...
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Structure of the register of immovable monuments in terms of the number of large-scale monuments by voivodeship - comparison of 2016 and 2024
Open Research DataThe following dataset compares the structure of the register of immovable monuments in Poland regarding the number of large-scale monuments by voivodeship for 2016 and 2024. The dataset has been compiled based on the data in the Report on the State of the Immovable Monuments in Poland – Monuments entered in the Register of Monuments (Register Books...
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Structure of the register of immovable monuments in terms of the number of monuments by voivodeship – comparison of 2016 and 2024
Open Research DataThis dataset compares the structure of the register of immovable monuments in Poland regarding the number of monuments by voivodeship for 2016 and 2024. Over eight years, the number of immovable monuments has increased (over 9000 monuments increase). The historical regions impact the fact that the most immovable monuments are located in Lower Silesia,...
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Structure analysis and thermal degradation characteristics of bio-based poly(propylene succinate)s obtained by using different catalyst amounts
PublicationLinear bio-based polyester polyols were prepared with the use of succinic acid and 1.3-propanediol (both with natural origin). As a catalyst was used tetraisopropyl orthotitanate (TPT). In order to determine the effect of various catalyst content on the thermal degradation characteristics, three different TPT amounts, as a 1.3-propanediol equivalent, were used, namely 0.1 mass% (PPS-0.1), 0.2 mass% (PPS-0.2) and 0.25 mass% (PPS-0.25)....
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Synthesis, physicochemical and theoretical studies on new rhodium and ruthenium dimers. Relationship between structure and cytotoxic activity
PublicationTwo dimeric compounds of the general formulae (Et3NH)2[Rh2(μ2-L)4Cl2] (1) (where L = thiophene-2-carboxylate) and [((η6-p-cymene)Ru)2(μ-Cl)3]PF6 (2) have been synthesized using a new method. The unique anionic complex 1 (space group P bca) has octahedral coordination in which the equatorial positions are occupied by the oxygen atoms of four thiophene-2-carboxylates in a paddle wheel fashion. In complex 2 (space group ), each Ru(II)...
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Investigation of sweet substances of different molecular structure by potentiometric taste sensor with all solid state electrodes
PublicationA five channel potentiometric taste sensor consisting of an array of All Solid State Electrodes (ASSESs) with different lipid-polymer membranes has been developed. The electrodes are constructed of glassy carbon discs with electrochemically deposited poly(3,4-ethylenedioxythiophene) (PEDOT) acting as ion to electron transducer. The outer layer of the electrode is lipid-polymer membrane. Lipid substances immobilized in PVC membranes...
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Synthesis, structure and properties of poly(ether-urethane)s synthesized using a tri-functional oxypropylated glycerol as a polyol
PublicationThe main aim of this work was to obtain poly(ether-urethane)s using tri-functional polyoxyalkylene polyol (Rokopol G1000), which introducing the chemical cross-links into the structure of polyurethanes. Poly(ether-urethane)s were prepared using two-step method, called prepolymer method, which involves in the first step the reaction of 4,4'-diphenylmethane diisocyanate (MDI) and tri-functional polypropylene glycol glycerol triether...
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The Role of Molecular Structure in Monte Carlo Simulations of the Secondary Electron Yield and Backscattering Coefficient from Methacrylic Acid
PublicationIn this paper, we show the influence of the chemical structure of four different conformers on the secondary electron emission and backscattering of an electron beam from a gel of methacrylic acid. The conformers have different permanent dipole moments, which determines the cross sections for elastic collisions with electrons. The cross sections are used in Monte Carlo simulations of an electron beam, which enters the gel of methacrylic...
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Maria Gazda prof. dr hab. inż.
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Structure of the register of immovable monuments in terms of the number of architectural monuments by type - comparison of 2003 and 2024
Open Research DataThe following dataset compares the structure of the register of immovable monuments in Poland regarding the number of architectural monuments by type for 2003 and 2024. The included types contain the following ones: sacred, defensive, public, castles, palaces, manors, parks, residential, farmhouses, industrial, cemeteries and others. The dataset has...
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Numerical investigations of discrete crack propagation in Montevideo splitting test using cohesive elements and real concrete micro-structure
PublicationThe paper is aimed at accurately predicting the discrete fracture process in concrete specimens under complex stress states in two dimensional (2D) simulations. Plain concrete specimens subjected to Montevideo splitting test (MVD) were used for consideration due to non-negligible shear stresses impact in this type of test. In order to reflect the heterogeneous nature of the concrete, the meso-structure of the samples was included...
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Synthesis, Molecular Structure, Anticancer Activity, and QSAR Study of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)Benzenesulfonamide Derivatives
PublicationA series of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)benzenesulfonamides were synthesized from 4-amino-N-(aryl/heteroaryl)benzenesulfonamides and 2,5-dimethoxytetrahydrofuran. All the synthesized compounds were evaluated for their anticancer activity on HeLa, HCT-116, and MCF-7 human tumor cell lines. Compound 28, bearing 8-quinolinyl moiety, exhibited the most potent anticancer activity against the HCT-116, MCF-7, and HeLa cell lines,...
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Influence of chemical structure on physicochemical properties and thermal decomposition of the fully bio-based poly(propylene succinate-co-butylene succinate)s
PublicationIn this work, two polyesters and four copolyesters were studied. All materials were synthesized to obtain the monomers dedicated for thermoplastic polyurethane elastomers. For this type of PUR, the monomers should characterize by appropriate selected physicochemical properties and macromolecular structure distribution, which depends on synthesis conditions. The study of chemical structure with extensive and knowledgeable analysis...
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User-assisted methodology targeted for building structure interpretable QSPR models for boosting CO2 capture with ionic liquids
PublicationTask-specific ionic liquid (IL) is an emerging class of compounds that may be environmentally friendly. Properly selected, these compounds may be green alternative to amine solutions and can replace them in post-combustion carbon dioxide (CO2) capture processes on an industrial scale. However, owing to the vast diversity of ions and their possible combinations, laboratory research is time consuming and expensive. Therefore, computational...
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Are the short cationic lipopeptides bacterial membrane disruptors? Structure-Activity Relationship and molecular dynamic evaluation
PublicationShort cationic lipopeptides are amphiphilic molecules that exhibit antimicrobial activity mainly against Grampositives. These compounds bind to bacterial membranes and disrupt their integrity. Here we examine the structure-activity relation (SAR) of lysine-based lipopeptides, with a prospect to rationally design more active compounds. The presented study aims to explain how antimicrobial activity of lipopeptides is affected by...
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Local Structure and Stability of SEI in Graphite and ZFO Electrodes Probed by As K-edge Absorption Spectroscopy
PublicationThe evolution of the solid electrolyte interphase (SEI) during the first Li uptake in advanced Li-ion electrodes is studied by X-ray absorption spectroscopy (XAS). The As atoms present in the electrolyte solution were used as a local probe for monitoring the SEI growth on different electrodes. High-quality As K-edge spectra were collected in fluorescence mode for a set of graphite and carbon-coated ZnFe2O4 electrodes. XAS measurements...
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Graphene-Coated PVDF Membranes: Effects of Multi-Scale Rough Structure on Membrane Distillation Performance
PublicationGraphene-coated membranes for membrane distillation have been fabricated by using a wet-filtration approach. Graphene nanoplatelets have been deposited onto PVDF membrane surfaces. Morphology and physicochemical properties have been explored to evaluate the changes in the surface topography and related effects on the membrane performance in water desalination. The membranes have been tested in membrane distillation plants by using...
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STRUCTURE AND MAGNETIC PROPERTIES OF Bi5Ti3FeO15 CERAMICS PREPARED BY SINTERING, MECHANICAL ACTIVATION AND EDAMM PROCESS. A COMPARATIVE STUDY
PublicationThree different methods were used to obtain Bi5Ti3FeO15 ceramics, i.e. solid-state sintering, mechanical activation (MA) with subsequent thermal treatment, and electrical discharge assisted mechanical milling (EDAMM). The structure and magnetic properties of produced Bi5Ti3FeO15 samples were characterized using X-ray diffraction and Mössbauer spectroscopy. The purest Bi5Ti3FeO15 ceramics was obtained by standard solid-state sintering...
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The influence of the Cu2O deposition method on the structure, morphology and photoresponse of the ordered TiO2NTs/Cu2O heterojunction
PublicationThe increased interest in highly ordered titania structures exhibiting tubular shape that could be directly formed onto the stable substrate is related with the intensive research on their modification enabling absorption of light within the wide solar spectrum and its further conversion into electric or chemical energy. Among others, formation of uniform 3D heterojunctions based on the TiO2 nanotubes attracts attention since porous...