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Application of stereology for two-phase flow structure validation in fluidized bed reactors
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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 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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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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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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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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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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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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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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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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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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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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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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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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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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Shear fracture of longitudinally reinforced concrete beams under bending using Digital Image Correlation and FE simulations with concrete micro-structure based on X-ray micro-computed tomography images
PublicationThe paper presents experimental and numerical investigations of the shear fracture in rectangular concrete beams longitudinally reinforced with steel or basalt bar under quasi-static three point bending. Shear fracture process zone formation and development on the surface of beams was investigated by Digital Image Correlation (DIC) whereas thorough analyses of 3D material micro-structure, air voids, width and curvature of shear...
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The effect of high molecular weight bio-based diamine derivative of dimerized fatty acids obtained from vegetable oils on the structure, morphology and selected properties of poly(ether-urethane-urea)s
PublicationIn this work, the effect of the high molecular weight bio-based diamine on the chemical structure and selected properties of poly(ether-urethane-urea)s has been investigated. The ether-urethane prepolymer was cured using 1,4-butanediol and/or bio-based diamine. Mentioned chain extenders were used separately or in the mixture, and their different molecular weight and chemical structure resulted in obtaining materials with diversified...
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Hyperfine structure and isotope shifts in 733.2 nm mixed forbidden line of Pb I
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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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Crystal structure, hydrogen bonds, and lattice dynamics in kanemite from first-principles calculations
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Simulation of Structure Formation Processes of Dissimilar Steels Welded Joints Using an Intermediate Layer
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Numerical Estimate of the Spectral Resonance Structure Frequency Scale of Natural ULF Magnetic Field
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Effect of the template-assisted electrodeposition parameters on the structure and magnetic properties of Co nanowire arrays
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Structure–bioavailability relationship study of genistein derivatives with antiproliferative activity on human cancer cell
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Synthesis, structure and magnetic properties of neutral Ni(II) tri-tert-butoxysilanethiolate cluster
PublicationNowy klaster niklu(II) [Ni6(μ-O)6{SSi(tBuO)3}6(H2O)6(NH3)4] został otrzymany w reakcji NiCl2·6H2O z tri-tert-butoksysilanotiolu i amoniakiem w roztworze wodnym. Pomiary właściwości magnetycznych badanego związku pokazują obecność silnych antyferromagnetycznych oddziaływań pomiędzy centrami metalicznymi.
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Effect of glycols used as glycolysis agents on chemical structure and thermal stability of produced glycolysates
PublicationZaprezentowano warunki glikolizy poliuretanowych odpadów piankowych, przy użyciu różnych glikoli oraz wyniki badań budowy chemicznej glikolizatów oraz ich właściwości termicznych.
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Complementarity of Electronic and Vibrational Circular Dichroism Spectroscopy in Structure Determination of Vic-Amino Alcohols
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Vanadium complexes with salicylaldehyde-based Schiff base ligands—structure, properties and biological activity
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Effect of chemical structure and deposition method on optical properties of polyazomethines with alkyloxy side groups
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Influence of modes of thermal hardening and the subsequent cryogenic processing on structure and properties of steel 38Ni3CrMoV
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Deterioration of masonry structure investigated by a thermal camera with a qualitative assessment of thermal image processing
PublicationThermal imaging is contemporary remote sensing measurement technique, which provides an image of the temperature distribution in the measured object. The method is widely used, due to its mobility as well as the non-destructive character of the measurement. Infrared thermography is especially relevant in the inspection of insulation, what is more, it is a suitable device for detecting thermal bridges and structural changes, which...
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Application of Bayesian Multilevel Modeling in the Quantitative Structure–Retention Relationship Studies of Heterogeneous Compounds
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An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
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Anti-plane surface waves in media with surface structure: Discrete vs. continuum model
PublicationWe present a comparison of the dispersion relations derived for anti-plane surface waves using the two distinct approaches of the surface elasticity vis-a-vis the lattice dynamics. We consider an elastic half-space with surface stresses described within the Gurtin–Murdoch model, and present a formulation of its discrete counterpart that is a square lattice half-plane with surface row of particles having mass and elastic bonds different...
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Inter-governmental Collaborative Networks for Digital Government Innovation Transfer -Structure, Membership, Operation
PublicationDigital government refers to the transformation of government organizations and their relationships with citizens, business and each other through digital technology. It entails digital innovation in processes, services, organizations, policies, etc. which are increasingly developed and tested in one country and transferred, after adaptation, to other countries. The process of innovation transfer and the underlying information...
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Synthesis, structure and application of a new class of Tr-podands derived in phase-transfer catalysis
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Structure and electrochemical reactivity of new sulphur–silicon podands adsorbed on silver or gold surfaces
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Arterial structure and function in subjects with acute coronary syndrome after one-year of treatment
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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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Tubular House - Form Follows Technology, Concrete Shell Structure with Inner Thermal Insulation
PublicationThe aim of this paper is the theoretical analysis of the possibilities and limitations of using an unconventional technology and the original architectural form stemming from it – the building with external construction and internal insulation. In Central European climatic conditions, the traditional solution for the walls of heated buildings relies on using external thermal insulation. This stems from building physics: it prevents...
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Quantitative structure–retention relationships of ionic liquid cations in characterization of stationary phases for HPLC
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The structure and mechanical properties of AlMg5Si2Mn alloy after surface alloying by the use of fiber laser
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Blood–brain barrier permeability mechanisms in view of quantitative structure–activity relationships (QSAR)
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Role of MnO in manganese–borate binary glass systems: a study on structure and thermal properties
PublicationStructural and thermal properties of x MnO−(100−x)B2O3 (where x=40, 50 and 60 mol%) glass samples have been investigated with the employment of various techniques. Fourier transform infrared spectroscopy results revealed the influence of MnO on glass matrix. Decrease of B–O bond-related band intensities has been observed. MnO addition was found to introduce broken [BO2O−]n chains. Differential scanning calorimetry (DSC) measurements...