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Search results for: overlapping polaron
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Detection of the Oocyte Orientation for the ICSI Method Automation
PublicationAutomation or even computer assistance of the popular infertility treatment method: ICSI (Intracytoplasmic Sperm Injection) would speed up the whole process and improve the control of the results. This paper introduces a preliminary research for automatic spermatozoon injection into the oocyte cytoplasm. Here, the method for detection a correct orientation of the polar body of the oocyte is presented. Proposed method uses deep...
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Characteristics of La 0.8 Sr 0.2 Ga 0.8 Mg 0.2 O 3-δ -supported micro-tubular solid oxide fuel cells with LaCo 0.4 Ni 0.6-x Cu x O 3-δ cathodes
PublicationIn this study, micro-tubular solid oxide fuel cells (T-SOFCs) with extruded La0.8Sr0.2Ga0.8Mg0.2O3-δ (LSGM) electrolyte as the mechanical support and LaCo0.4Ni0.6O3-δ (LCNO) or LaCo0.4Ni0.4Cu0.2O3-δ (LCNCO) as cathodes were prepared and characterized. Partial substitution of Cu for the Ni-ion positions in the LCNO lattices was found to significantly enhance the densification and accelerate the grain growth. The porosity-corrected...
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Determinants of the primary stability of cementless acetabular cup implants: A 3D finite element study
PublicationPrimary stability of cementless implants is crucial for the surgical success and long–term stability. However, primary stability is difficult to quantify in vivo and the biomechanical phenomena occurring during the press–fit insertion of an acetabular cup (AC) implant are still poorly understood. The aim of this study is to investigate the influence of the cortical and trabecular bone Young's moduli Ec and Et, the interference...
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TOPOLOGICAL CLUES FOR PREDICTING OUTCOMES OF MULTIPLAYER ONLINE BATTLE ARENA GAMES
PublicationWith 27 million people playing League of Legends every day, e-sports became more and more important part of our everyday life. Rise of its popularity builds a demand for better understanding e-sports mechanics on a deeper level. In the article, we test a hypothesis that it is possible to predict an outcome of Multiplayer Online Battle Arena game based on topological clues only (such as area of polygon where vertices are players...
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BADANIE PRZEWODNICTWA W SZKŁACH BORANOWYCH ZAWIERAJĄCYCH JONY METALU PRZEJŚCIOWEGO
PublicationWłaściwości elektryczne szkieł żelazowo - boranowo - ołowiowych zostały zbadane za pomocą metody spektroskopii impedancyjnej. Mechanizm przewodnictwa w szkłach tlenkowych zawierających jony żelaza może być wywołany hoppingiem małych polaronów. Celem niniejszej pracy było bliższe określenie zachodzącego w nich mechanizmu przewodnictwa. Wytworzono szkła o składzie dobranym na podstawie ich zakresu szklenia: xFe2O3 - (100 - x)(B2O3...
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Spatial pattern of ASG-EUPOS sites
PublicationThe article presents the spatial pattern analysis of the ASG-EUPOS permanent GNSS stations in Poland. Using different methods and tools (nearest neighbour, Riplay’s K-function, morphology of Thiessen polygons) we proved that the station distribution model changes within scales. At short distances up to 65 km, which are typical lengths in the network, stations are irregularly dispersed. Increasing this distance to 130 km and over...
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Mieszane przewodnictwo polaronowo-jonowe szkieł tlenkowych
PublicationPrzeanalizowano klasyczny dla szkieł tlenkowych, zawierających jony metali przejściowych, polaronowy mechanizmu transportu ładunku. Uwzględniono wielofononowe oddziaływania polaronu z fononami akustycznymi i optycznymi. Otrzymane zależności wykorzystano do analizy własnych danych doświadczalnych.Zbadano mieszane przewodnictwo polaronowo-jonowe w kilku rodzinach szkieł tlenkowych zawierających tlenki metali przejściowych. Zaobserwowano...
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
PublicationAb initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces...
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Computer-aided evaluation of the railway track geometry on the basis of satellite measurements
PublicationIn recent years, all over the world there has been a period of intensive development of GNSS (Global Navigation Satellite Systems) measurement techniques and their extension for the purpose of their applications in the field of surveying and navigation. Moreover, in many countries a rising trend in the development of rail transportation systems has been noticed. In this paper, a method of railway track geometry assessment based...
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Derywatyzacja w oznaczaniu lotnych alifatycznych kwasów monokarboksylowych (LAKM)
PublicationOznaczanie indywidualnych lotnych alifatycznych kwasów monokarboksylowych w skomplikowanych próbkach przeprowadza się często z wykorzystaniem chromatografii gazowej, co nie jest łatwe ze względu na silnie polarny charakter i możliwość dysocjacji substancji o charakterze kwasowym. Chromatograficzne właściwości analitów można znacznie poprawić przeprowadzając je w pochodne, w stosunku do których układ chromatograficzny charakteryzuje...
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Zastosowanie chromatografii jonowej w analityce surfaktantów (zpc)
PublicationSurfaktanty (ang. surface active agent, SAA) stanowią grupę związków charakteryzujących się specyficznymi właściwościami fizykochemicznymi. Podstawową właściwością związków powierzchniowo czynnych jest ich zdolność rozpuszczania się w roztworach, których składnikami są substancje polarne i niepolarne. Różnorodność możliwości zastosowania związków powierzchniowo czynnych nie pozostaje bez wpływu na środowisko. Stosowanie surfaktantów...
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Low-energy positron scattering from gas-phase uracil
PublicationQuantum scattering calculations are presented for the interaction of low energy positrons with the uracil molecule, an important component of biological systems. The rotational elastic and inelastic cross sections and vibrational inelastic cross sections are reported and compared with existing experiments, indicating a general trend of the cross sections different from the experimental findings and in line with what should be expected...
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Minimization of the number of periodic points for smooth self-maps of simply-connected manifolds with periodic sequence of Lefschetz numbers
PublicationLet f be a smooth self-map of m-dimensional, m ≥ 4, smooth closed connected and simply-connected manifold, r a fixed natural number. For the class of maps with periodic sequence of Lefschetz numbers of iterations the authors introduced in [Graff G., Kaczkowska A., Reducing the number of periodic points in smooth homotopy class of self-maps of simply-connected manifolds with periodic sequence of Lefschetz numbers, Ann. Polon. Math....
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New Method for Determination of Adjustment Corrections for Crane Rail Axes
PublicationElectronic tacheometers are currently a standard instrument used in geodetic work, including also geodetic engineering measurements. One of the many applications of tacheometers in engineering geodesy are 3D control measurements of crane rail axes. This paper proposes a new method of computing adjustment corrections for crane rail axes based on 3D polar measurements performed with an electronic tacheometer. The intermediary method...
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Pre-selection and assessment of green organic solvents by clustering chemometric tools
PublicationThe study presents the result of the application of chemometric tools for selection of physicochemical parameters of solvents for predicting missing variables – bioconcentration factors, water-octanol and octanol-air partitioning constants. EPI Suite software was successfully applied to predict missing values for solvents commonly considered as “green”. Values for logBCF, logKOW and logKOA were modelled for 43 rather nonpolar solvents...
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Large‐Scale Traveling Ionospheric Disturbances Over the European Sector During the Geomagnetic Storm on March 23–24, 2023: Energy Deposition in the Source Regions and the Propagation Characteristics
PublicationMultiple Large-Scale Traveling Ionospheric Disturbances (LSTIDs) are observed in the European sector in both day-time and night-time during the magnetic storm on March 23–24, 2023. The Total Electron Content (TEC) observation from a network of GNSS receivers shows the propagation of LSTIDs with amplitudes between around 0.5 and 1 TECU originating from auroral and polar cusp regions down to southern Europe (35°N) with velocities...
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Molecular basis of the osmolyte effect on protein stability: a lesson from the mechanical unfolding of lysozyme
PublicationOsmolytes are a class of small organic molecules that shift the protein folding equilibrium. For this reason, they are accumulated by organisms under environmental stress, and find applications in biotechnology where proteins need to be stabilized or dissolved. However, despite years of research, debate continues over the exact mechanisms underpinning the stabilizing and denaturing effect of osmolytes. Here, we simulated the mechanical...
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Deterministic rendezvous of asynchronous bounded-memory agents in polygonal terrains
PublicationTwo mobile agents, modeled as points starting at differentlocations of an unknown terrain, have to meet. The terrain is a polygon with polygonal holes. We consider two versions of this rendezvous problem: exact RV, when the points representing the agents have to coincide at some time, and epsilon-RV, when these points have to get at distance less than epsilon in the terrain. In any terrain, each agent chooses its trajectory, but...
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State of the art in sample preparation for human breast milk metabolomics—merits and limitations
PublicationHuman breast milk (HBM) contains metabolites that are diverse in chemical structure and concentration. These metabolites range from high-abundance to low-abundance compounds and from polar to nonpolar. This complex nature of HBM makes HBM samples difficult to analyze, especially in global metabolomic studies for the determination and characterization of complete sets of metabolites. In this review, the state of the art in sample...
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Formation of chlorinated breakdown products during degradation of sunscreen agent, 2-ethylhexyl-4-methoxycinnamate in the presence of sodium hypochlorite
PublicationIn this study, a new degradation path of sunscreen active ingredient, 2-ethylhexyl-4-methoxycinnamate (EHMC) and 4-methoxycinnamic acid (MCA) in the presence of sodium hypochlorite (NaOCl), was discussed. The reaction products were detected using gas chromatography–mass spectrometry (GC-MS). Since HOCl treatment leads to more polar products than EHMC, application of polar extracting agents, dichloromethane and ethyl acetate/n-hexane...
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Determination of Surfactants in Environmental Samples. Part III. Non-Ionic Compounds
PublicationNon-ionic surface active agents are a diverse group of chemicals which have an uncharged polar head and a non-polar tail. They have different properties due to amphiphilic structure of their molecules. Commercial available non-ionic surfactants consist of the broadest spectrum of compounds in comparison with other types of such agents. Typically, non-ionic compounds found applications in households and industry during formulation...
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Determination of impurities in pharmaceutical products using LC-MS
PublicationPharmaceutical products can be contaminated by residues of solvents, reagents (used for the synthesis) or degradation products. Impurities in drug may pose a risk to human health and life, therefore analysis and identification of impurities in pharmaceutical products is veryimportant and inevitable.High performance liquid chromatography coupled with mass spectrometry (MS) is very useful technique for identification impurities in...
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Low-frequency noise in Au-decorated graphene–Si Schottky barrier diode at selected ambient gases
PublicationWe report results of the current–voltage characteristics and low-frequency noise in Au nanoparticle (AuNP)-decorated graphene–Si Schottky barrier diodes. Measurements were conducted in ambient air with addition of either of two organic vapors, tetrahydrofuran [(CH2)4O; THF] and chloroform (CHCl3), as also during yellow light illumination (592nm), close to the measured particle plasmon polariton frequency of the Au nanoparticle...
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Potential Skyrmion Host Fe(IO3)3: Connecting Stereoactive Lone-Pair Electron Effects to the Dzyaloshinskii-Moriya Interaction
PublicationMagnetic skyrmions, which are topologically distinct magnetic spin textures, are gaining increased attention for their unique physical properties and potential applications in spintronic devices. Here we present a design strategy for skyrmion host candidates based on combinations of magnetic spin, asymmetric building units having stereoactive lone-pair electrons, and polar lattice symmetry. To demonstrate the viability of the proposed...
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Synthetic strategies in construction of organic low molecular-weight carrier-drug conjugates
PublicationInefficient transportation of polar metabolic inhibitors through cell membranes of eukaryotic and prokaryotic cells precludes their direct use as drug candidates in chemotherapy. One of the possible solutions to this problem is application of the ‘Trojan horse’ strategy, i.e. conjugation of an active substance with a molecular carrier of organic or inorganic nature, facilitating membrane penetration. In this work, the synthetic...
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Correlation between chemical composition and the presence of selected groups of bacteria in freshwater samples collected from Isfjorden and Billefjorde
PublicationThe average concentrations of pollutants in the arctic water, snow and the atmosphere are much lower than those observed in the temperate climate. Specific conditions occurring in the polar regions have apotential to accumulate the pollutants transported from other parts of the world. In this study, attempts were made to find a correlation between selected chemical components and the bacterial population. The analysis involved...
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The microbial community, its biochemical potential, and the antimicrobial resistance of Enterococcus spp. in Arctic lakes under natural and anthropogenic impact (West Spitsbergen)
PublicationThe sustainable management of small human communities in the Arctic is challenging. In this study, both a water supply system (Lake 1) under the natural impact of a bird-nesting area, and a wastewater receiver (Lake 2) were analysed in the vicinity of the Polish Polar Station on West Spitsbergen. Microbial community composition, abundance and activity were assessed in samples of the treated wastewater, lake water and sediments...
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Functionalized polyolefins, synthesis application and industrial relevance
PublicationPolymers play a key role in our modern life full of technical advances and a continuous request for new materials with tailored properties for a low price. Their excellent mechanical properties, good processability, chemical stability and low price make polyolefins the polymers of choice for most commodity and some more specialized applications. As a result, polyolefins account for over 65% of the total world demand of plastic...
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Effective method for determining environmental loads on supporting structures for offshore wind turbines
PublicationThis paper presents a description of an effective method for determining loads due to waves, current and wind acting on the supporting structures of the offshore wind turbines. This method is dedicated to the structures consisting of the cylindrical or conical elements as well as (truncates) pyramids of polygon with a large number of sides (8 or more). The presented computational method is based on the Morison equation, which was...
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Zastosowania chromatografii wykluczania (SEC) w analityce technicznej i preparatyce – część I-sza.
PublicationW pracy scharakteryzowano założenia teoretyczne oraz mechanizm rozdzielania w warunkach chromatografii wykluczania (SEC). Przeanalizowano wady i zalety tej techniki rozdzielania. Przedstawiono przegląd zastosowań obejmujący wykorzystanie SEC w analityce technicznej oraz w preparatyce. SEC w warunkach liofilowych znajduje zastosowanie do rozdzielania mieszanin polimerów t.j. polistyren, polibutadien, poliizopren, poli(dimetylosiloksan),...
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Studies on selectivity of hydrocarbon group type separation of petroleum vacuum distillates and base oils by HPLC.
PublicationW pracy przedstawiono wyniki badań nad doborem selektywnego chromatograficznego układu HPLC, umożliwiającego rozdzielenie grupowe produktów naftowych otrzymanych z destylacji próżniowej ropy naftowej, w tym, mineralnych olejów bazowych. Stwierdzono, że konieczny układ chromatograficzny wymaga wykorzystania dwóch kolumn wypełnionych żelem krzemionkowym ze związanymi grupami nitrofenopropylowymi, połączonych szeregowo z dwiema...
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Client-side versus server-side geographic data processing performance comparison: Data and code
PublicationThe data and code presented in this article are related to the research article entitled “Analysis of Server-side and Client-side Web-GIS data processing methods on the example of JTS and JSTS using open data from OSM and Geoportal” (Kulawiak et al., 2019). The provided 12 datasets include multi-point and multi-polygon data of different scales and volumes, representing real-world geographic features. The datasets cover the area...
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Effective method for determining environmental loads on supporting structures for offshore wind turbines
PublicationThis paper presents a description of an effective method for determining loads due to waves and current acting on the supporting structures of the offshore wind turbines. This method is dedicated to the structures consisting of the cylindrical or conical elements as well as (truncates) pyramids of polygon with a large number of sides (8 or more). The presented computational method is based on the Morison equation, which was originally...
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Influence of a lipid bilayer on the conformational behavior of amphotericin B derivatives - A molecular dynamics study.
PublicationAmphotericin B (AmB) is an effective but very toxic antifungal antibiotic. In our laboratory a series of AmB derivatives of improved selectivity of action was synthesized and tested. To understand molecular basis of this improvement, comparative conformational studies of amphotericin B and its two more selectivederivatives were carried out in an aqueous solution and in a lipid membrane. These molecular simulation studies revealed...
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Retention modeling of some saccharides separated on an amino column.
PublicationUsing an amino column (Supelcosil LC-NH2) and different mixtures of acetonitrile-water, quantitative structure-retention relationship models are discussed. These models are based on computed molecular descriptors representing numerically structured features of some saccharides. The obtained results are underlining the lipophilicity/hydrophilicity balance, and how this is controlling the separation of the saccharides. The resulting...
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<i>N,N,N</i>-Trimethyl-N-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5- yl)ammonium 4-methylbenzenesulfonate sesquihydrate.
PublicationThe structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydrophobic and polar character, stabilized by C-H...O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O-C(methine) bonds. A comparison to related compounds is presented. The tosylate-O atoms were disordered over two...
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Fluctuation-Enhanced Sensing of Organic Vapors by Ink-Printed MoS2 Devices under UV Irradiation
PublicationThis work presents the results of fluctuationenhanced sensing (FES) of selected organic gases by MoS2 sensor fabricated via a simple ink printing method. We demonstrate that low-frequency noise measured under UV irradiation (275 nm) is more sensitive to different gases than measured in the dark. The noise at 1 Hz under UV light increased 3.3, 3.5, 1.6, and 2.9 times for chloroform, tetrahydrofuran, acetonitrile, and acetone ambiances, respectively....
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Ln2(SeO3)2(SO4)(H2O)2 (Ln=Sm, Dy, Yb): A Mixed‐Ligand Pathway to New Lanthanide(III) Multifunctional Materials Featuring Nonlinear Optical and Magnetic Anisotropy Properties
PublicationBottom-up assembly of optically nonlinear and magnetically anisotropic lanthanide materials involving precisely placed spin carriers and optimized metal-ligand coordination offers a potential route to developing electronic architectures for coherent radiation generation and spin-based technologies, but the chemical design historically has been extremely hard to achieve. To address this, we developed a worthwhile avenue for creating...
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Selective adsorption of BTEX on calixarene-based molecular coordination network determined by 13C NMR spectroscopy
PublicationBenzene, toluene, ethylbenzene, and xylenes (BTEX), a class of volatile organic compounds, are harmful pollutants but also very important precursors in organic industrial chemistry. Among different approaches used for the BTEX treatment, the adsorption technology has been recognized as an efficient approach because it allows to recover and reuse both adsorbent and adsorbate. However, the selective adsorption of the components is...
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Evaluation of Gas Chromatography Stationary Phases Based on Morpholinium Ionic Liquids by McReynolds Constants and Activity Coefficients at Infinite Dilution
PublicationIn this work, four ionic liquids (ILs) based on the N-alkyl-N-methylmorpholinium cation ([Mor1,R], in which R = 2, 4, 8, or 10) and bis (trifluoromethanesulfonyl)imide anion were synthesized. Using GLC, a number of parameters describing the sorption properties of the investigated ILs were determined. The values of Kovats indices, McReynolds constants, and activity coefficients at infinite dilution were the basis for the evaluation...
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Metoda oceny bezpieczeństwa na przejściach dla pieszych w pobliżu szkół
PublicationDużym zagrożeniem dla pieszych jest przekraczanie jezdni. Najczęstszym sposobem próby minimalizacji ryzyka z tym związanego jest stosowanie przejść dla pieszych. Jednak często przejścia nie spełniają warunków, które w pełni gwarantowałyby pieszemu bezpieczeństwo. Dorosły uczestnik ruchu jest w stanie obiektywnie ocenić, czy jest dostatecznie widoczny na przejściu, czy samochód zbliżający się do niego będzie w stanie zahamować....
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Dynamic Bayesian Networks for Symbolic Polyphonic Pitch Modeling
PublicationSymbolic pitch modeling is a way of incorporating knowledge about relations between pitches into the process of an- alyzing musical information or signals. In this paper, we propose a family of probabilistic symbolic polyphonic pitch models, which account for both the “horizontal” and the “vertical” pitch struc- ture. These models are formulated as linear or log-linear interpo- lations of up to fi ve sub-models, each of which is...
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TB11 test for short w-beam road barrier
PublicationFEM (Finite Element Method) is well-suited and widely used tool for simulating a range of phenomena: from these with simple and static behaviour, up to those complicated, highly nonlinear and involving many contacts. In present paper we use one of the advantages of FEM: parametric study could be easily performed and is more economical than series of in-situ tests. If recommended practices is carefully followed, results obtained...
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Wyłączniki ochronne różnicowoprądowe.- Część 1
PublicationWyłączniki ochronne różnicowoprądowe mają za sobą już ponad pół wieku dojrzałego rozwoju, który sprawił, że stały się niezbędnym wyposażeniem niemal każdej nowoczesnej instalacji elektrycznej. Mają dwojakie zastosowanie w ochronie przeciwporażeniowej, a ponadto zapobiegają pożarom wywoływanym przez zwarcia doziemne. W niniejszej monografii przedstawiono ewolucję ich koncepcji i konstrukcji w ciągu minionych dziesięcioleci, zwracając...
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Photophysics of Soret-Excited Tin(IV) Porphyrins in Solution
PublicationThe photophysics of low-chlorin tin(IV) tetraphenylporphyrin dihydroxide, a core building block for axially substituted supramolecular tin porphyrin constructs, has been studied in a variety of hydrogen-bonding, nonpolar, and aprotic polar solvents using steady-state, nanosecond, and femtosecond time-resolved emission, and femtosecond time-resolved absorption methods. In hydrogen-bonding solvents the metalloporphyrin exists as...
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Nuclear Magnetic Resonance Metabolomics Reveals Qualitative and Quantitative Differences in the Composition of Human Breast Milk and Milk Formulas
PublicationCommercial formula milk (FM) constitutes the best alternative to fulfill the nutritional requirements of infants when breastfeeding is precluded. Here, we present the comparative study of polar metabolite composition of human breast milk (HBM) and seven different brands of FM by nuclear magnetic resonance spectroscopy. The results of the multivariate data analysis exposed qualitative and quantitative differences between HBM and...
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Contamination of Arctic Lakes with Persistent Toxic PAH Substances in the NW Part of Wedel Jarlsberg Land (Bellsund, Svalbard)
PublicationThe expansion of glacier‐free areas in polar regions favours the appearance of lakes in the non‐glaciated parts of glacier basins. This paper presents the differentiation of organic compound concentrations in fifty‐four Arctic lakes collected in four locations (Logne Valley, in the vicinity of the Scott, Renard and Antonia glaciers). We cover meteorological measurements, chemical analysis of sixteen dioxin‐like compounds (Polycyclic...
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Merging Proline:Xylitol Eutectic Solvent in Crosslinked Chitosan Pervaporation Membranes for Enhanced Water Permeation in Dehydrating Ethanol
PublicationThe scope of this research aims at merging a new deep eutectic mixture (DES) into a biopolymer-based membrane for a pervaporation application in dehydrating ethanol. Herein, an L-proline:xylitol (at 5:1) eutectic mixture was successfully synthesized and blended with chitosan (CS). A complete characterization of the hybrid membranes, in terms of morphology, solvent uptake, and hydrophilicity, has been conducted. As part of their...
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Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions
PublicationThe biology and chemistry of proteins and peptides are inextricably linked with water as the solvent. The reason for the high stability of some proteins or uncontrolled aggregation of others may be hidden in the properties of their hydration water. In this study, we investigated the effect of stabilizing osmolyte–TMAO (trimethylamine N-oxide) and destabilizing osmolyte–urea on hydration shells of two short peptides, NAGMA (N-acetyl-glycine-methylamide)...
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Localization and Orientation of Xanthophylls in a Lipid Bilayer
PublicationXanthophylls (polar carotenoids) play diverse biological roles, among which are modulation of the physical properties of lipid membranes and protection of biomembranes against oxidative damage. Molecular mechanisms underlying these functions are intimately related to the localization and orientation of xanthophyll molecules in lipid membranes. In the present work, we address the problem of localization and orientation of two xanthophylls...