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Search results for: STRUCTURE-PROPERTY RELATIONSHIPS
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Application of differential scanning calorimetry to study porous structure of hydrothermally modified silicas
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Proteins Structure Models in the Evaluation of Novel Variant (C.472_477del) in the MOCS2 Gene
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Synthesis, crystal structure and electrical properties of A-site cation ordered BaErMn2O5 and BaErMn2O6
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Structure Analysis of the Modified Cast Metal Matrix Composites by Use of the Rve Theory
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Analysis of Agrarian Structure in Poland in 1921 and 2002 Based on the Example of Selected Districts
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Chromatographic behaviour of ionic liquid cations in view of quantitative structure-retention relationship
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Structure and Mechanical Properties of Composite Layers Prepared by Laser Alloying of Aluminium Alloy
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Influence of modification by superdispersed powder of aluminum oxide on lead-tin bronze structure
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Structure and Properties of Biodegradable Poly (Xylitol Sebacate-Co-Butylene Sebacate) Copolyester
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Imidazo-thiazine, -diazinone and -diazepinone derivatives. Synthesis, structure and benzodiazepine receptor binding
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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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Influence of Magnesium Oxide on the Structure and Catalytic Activity of the Wustite Catalyst for Ammonia Synthesis
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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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Numerical analysis of permeability and Darcy effect in heat transfer of pyramid-shaped structure
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Inferring population structure and genetic diversity of the invasive alien Nootka lupin in Iceland
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Scientific Insight to Understanding the Internal Structure of Polymer/Small Molecules Thin Films
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Electronic structure and optical properties of boron doped single-wall carbon nanotubes
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Application of stereology for two-phase flow structure validation in fluidized bed reactors
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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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Influence of Parameters of Laser Beam Welding on Structure of 2205 Duplex Stainless Steel
PublicationLaser welding is used in modern industry, having many advantages comparing to traditional welding technologies. Nowadays, industry sectors such as shipbuilding, automotive and aviation can’t be imagined without laser processing technologies. Possibility of increase of welded joint properties, autogenous welding and high level of process automation makes the technology of laser welding perspective part of the industry. Physical...
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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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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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Structure activity relationship for a series of peptidomimetic antimicrobial prodrugs containing glutamine analogues.
PublicationZbadano specyficzność transporterów Dpp i Opp w stosunku do peptydów zawierających FMDP. Przy pomocy modelowania cząsteczkowego zaproponowano najbardziej prawdopodobne struktury konformerów peptydów i skorelowano je z aktywnością przeciwbakteryjną oraz specyficznością transporterów peptydowych.
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Structure and morphology of hydrogen reduced surface of bismuth germanateand bismuth silicate glasses.
PublicationOtrzymano nanostruktury krystalicznego bizmutu w matrycy XO2(X=Si,Ge) oraz warstwę nanostruktur krystalicznego bizmutu na powierzchni redukowanych w atmosferze wodoru szkieł Bi0.33Ge0.67O1. i Bi0.57Si0.43O1.72. Zaproponowano prosty model budowy zredukowanych szkieł bizmutowo-germanowych potwierdzony wynikami badań AFM i XRD. Obserwowane zmiany przewodnictwa elektrycznego redukowanych szkieł wyjaśniono na podstawie modelu.
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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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Bounding approach to parameter estimation without priori knowledge on model structure error.
PublicationArtykuł przedstawia estymację parametrów modelu ARMA (Autoregresive moving average) metodą zbiorów ograniczonych. Założono brak wiedzy na temat ograniczeń na błąd struktury modelu lub, że wiedza ta jest bardzo konserwatywna. W celu redukcji tego konserwatyzmu, zaproponowano koncepcje modelu punktowo-parametrycznego. W podejściu tym zakłada się istnienie zbioru parametrów modelu oraz błędu struktury odpowiadających każdej z trajektorii...
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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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Crystal and molecular structure of lithium iodide complex of 13-membered azoxycrown ether
PublicationPublikacja zawiera uzupełniające informacje do znalezionej wcześniej korelacji między typem kationu, rozmiarem makrocyklu i cechami struktury krystalicznej kompleksów a selektywnością elektrod membranowych dotowanych odpowiednimi azo- lub azoksykoronami. Ustalono strukturę krystaliczną i molekularną kompleksu 13-członowej azoksykorony (L13-O) z jodkiem litu. Stechiometria kompleksu jest 1:1. Kryształ zbudowany jest z hydratowanych...
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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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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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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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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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Towards understanding the role of peroxide initiators on compatibilization efficiency of thermoplastic elastomers highly filled with reclaimed GTR
PublicationThermoplastic elastomers based on recycled high density polyethylene (rHDPE) and styrene-butadiene-styrene (SBS) block copolymer were highly filled with reclaimed ground tire rubber (RR). The impact of various organic peroxides (dicumyl peroxide (DCP), benzoyl peroxide (BP) and di-tert-butyl peroxide (DB)), applied as free-radical initiators, on the processing, structure and performance properties of rHDPE/SBS/RR blends was investigated....
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The influence of selected strain-based failure criteria on ship structure damage resulting from a collision with an offshore wind turbine monopile
PublicationOffshore wind farms are developing well all over the world, providing green energy from renewable sources. The evaluation of possible consequences of a collision involves Finite Element computer simulations. The goal of this paper was to analyse the influence of selected strain-based failure criteria on ship damage resulting from a collision with an offshore wind turbine monopile. The case of a collision between an offshore supply...
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublicationDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublicationDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublicationReaction of copper(I) halides with chiral dithiodianthranilidesmdtaandbdtaafforded polymeric complexeswhere polynuclear CuX clusters were linked together by ditopic bridging ligands into 1D chains or 2D layerstructures. In the case of racemic ligands double stranded chain polymers were formed where the Cu4X4(X = I or Br) cores are connected by enantiomeric pairs of the ditopic ligands. In contrast, a homochiralmdtaligand created...
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Structure-based design and evaluation of novel N-phenyl-1H-indol-2-amine derivatives for fat mass and obesity-associated (FTO) protein inhibition
PublicationFat mass and obesity-associated (FTO) protein contributes to non-syndromic human obesity which refers to excessive fat accumulation in human body and results in health risk. FTO protein has become a promising target for anti-obesity medicines as there is an immense need for the rational design of potent inhibitors to treat obesity. In our study, a new scaffold N-phenyl-1H-indol-2-amine was selected as a base for FTO protein inhibitors...
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Transport of Particles in Intestinal Mucus under Simulated Infant and Adult Physiological Conditions: Impact of Mucus Structure and Extracellular DNA
PublicationThe final boundary between digested food and the cells that take up nutrients in the small intestine is a protective layer of mucus. In this work, the microstructural organization and permeability of the intestinal mucus have been determined under conditions simulating those of infant and adult human small intestines. As a model, we used the mucus from the proximal (jejunal) small intestines of piglets and adult pigs. Confocal...
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Effect of hybrid modification by ceramic layer formation in MAO process and laser remelting on the structure of titanium bio-alloy Ti13Nb13Zr
PublicationTo improve the biological properties of titanium alloy Ti13Nb13Zr, hybrid modifications involving micro-arc oxidation (MAO) and Nd: YAG laser remelting were carried out in two combinations. The first consisted of laser modification before the production of the ceramic layer by the micro-arc oxidation process, and the second combination involved Nd: YAG laser modification after the MAO process. The creation of developed surface...
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Structural, mechanical and thermal behavior assessments of PCL/PHB blends reactively compatibilized with organic peroxides
PublicationThe efficiency of two commercially available organic peroxides, dicumyl peroxide (DCP) and di-(2-tert-butyl-peroxyisopropyl)-benzene (BIB), during reactive processing of poly (ε-caprolactone)/poly (3-hydroxybutyrate) (PCL/PHB) blends was investigated. The changes in chemical structure of PCL/PHB blends, as a function of organic peroxide type (DCP/BIB) and content (in range: 0–1.0 parts by weight - pbw), were characterized by Fourier...
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Enhancing Seismic Performance of Semi-rigid Connection Using Shape Memory Alloy Bolts Considering Nonlinear Soil–Structure Interaction
PublicationSteel Moment-Resisting Frames (SMRFs) have their lateral resistance for their rigid connections, while real conditions have shown that the rigidity of a connection depends on the bolts and the end-plate thickness, which may not provide the assumed rigidity in design process. In this research, the main goal is to enhance the semi-rigid connections using shape memory alloy (SMA) bolts and explore their effects on the seismic limit-state...
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Structural, thermal and physico-mechanical properties of polyurethane/brewers’ spent grain composite foams modified with ground tire rubber
PublicationIn this work, brewers’ spent grain (BSG) and ground tire rubber (GTR) waste fillers were applied as low-cost reinforcement phase in rigid polyurethane foam (PUR). PUR/BSG/GTR composites were prepared by a single step method, using polyglycerol as partial substitute of commercially available petrochemical polyols. Foaming parameters, chemical structure, dynamic mechanical properties, thermal stability, physico-mechanical properties...
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Piotr Jaskuła dr hab. inż.
PeopleI am a Faculty member (Associate Professor, Highway and Transportation Research Department) at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland).My main research interests include: pavement structures, interlayer bonding, pavement materials, recycling of road pavements, asphalt mixtures, bitumens, construction and maintenance of pavement structures.My lectures at the University include:...
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In Situ Random Microseeding and Streak Seeding Used for Growth of Crystals of Cold-Adapted beta-D-Galactosidases: Crystal Structure of betaDG from Arthrobacter sp. 32cB
PublicationThere is an increasing demand for cold-adapted enzymes in a wide range of industrial branches. Nevertheless, structural information about them is still scarce. The knowledge of crystal structures is important to understand their mode of action and to design genetically engineered enzymes with enhanced activity. The most difficult task and the limiting step in structural studies of cold-adapted enzymes is their crystallization,...
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Synthesis, spectroscopy and crystal structure determination of heteroleptic cobalt(II) silanethiolates with pyridine derivatives
PublicationCztery nowe tri-tert-butoksysilanotiolanowe kompleksy kobaltu(II) z 3- i 4-metylopirydyną zostały zsyntetyzowane i scharakteryzowane. Monometaliczne kompleksy otrzymano w reakcji bimetalicznego kompleksu [Co(SSi(OtBu)3(NH3)]2, który posłużył jako substrat kobaltu(II). Nowe związki zostały scharakteryzowane przy użyciu rentgenografii strukturalnej oraz spektroskopii UV-vis i FT-IR, a także za pomocą analizy elementarnej. Kompleksy...
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The influence of methods of potato weed control and meteorological conditions on shaping the tuber yield structure
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Gypsum dehydration in cement and its impact on air-void structure in air-entrained concrete
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