Wyniki wyszukiwania dla: COASTAL AQUIFERS
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Interplay between Aryl···Perfluoroaryl and Hydrogen Bonding Interactions in Cocrystals of Pentafluorophenol with Molecules of Trigonal Symmetry
PublikacjaCocrystals of seven star-shaped triaryl compounds with pentafluorophenol (pfp) were prepared and structurally characterized by the single-crystal X-ray diffraction method. Cocrystallization of pfp with planar (or almost planar) compounds gave six 3:1 molecular complexes with well-defined layered structures. The layers are composed of alternating pfp3 trimers, linked by hydrogen bonding, and triaryl molecules held together in planes...
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Intermolecular Hydrogen Bonding Directed by Aryl–Perfluoroaryl π–π Stacking Interactions
PublikacjaThe crystal structures of five compounds capable of forming self-complementary hydrogen bonds but crystallizing as catemers or creating more complex crystal structures were compared with their complexes prepared by cocrystallization with perfluoroaryl compounds. The results of X-ray diffraction revealed that in all the cases the π–π stacking interactions caused reorganization of hydrogen bonds and induced creation of the expected...
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Analysis of the interfacial energy of GaAs-Si hetrostructures
PublikacjaPrzeprowadzono obliczenia numeryczne energii powierzchni heterogranicy GaAs-Si z zastosowaniem półempirycznego modelu czteroparametrycznego Acklanda. Pokazano zależność energii heterogranicy od orientacji podłoża Si. Minima energetyczne otrzymano dla orientacji Si równych (011), (133), (112) i (113) co wskazuje ich zastosowanie do epitaksjalnego wzrostu warstw GaAs.
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Structure of EstA esterase from psychrotrophic Pseudoalteromonas sp. 643A covalently inhibited by monoethylphosphonate.
PublikacjaThe crystal structure of the esterase EstA from the cold-adapted bacteriumPseudoalteromonas sp. 643A was determined in a covalently inhibited form at aresolution of 1.35 A˚. The enzyme has a typical SGNH hydrolase structureconsisting of a single domain containing a five-stranded beta-sheet, with threehelices at the convex side and two helices at the concave side of the sheet, and isornamented with a couple of very short helices...
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New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds
PublikacjaNanocrystalline powders of monometallic and bimetallic imidazolates of Co, Zn, and Ag were produced by a reaction carried out in water. The powders were characterized by powder X-ray diffraction and the crystal structures of new compounds Ag2ZnIm4 and Ag2CoIm4 (Im = imidazolate) were solved. Heterometallic Co/Zn imidazolates showed the standard ZIF-8 crystal structure while Ag/Zn and Ag/Co systems were isostructural with the copper...
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Mononuclear sodium(I) and copper(I) silanethiolates
PublikacjaStericallyencumberedligand(ArO) 3 SiS − , where Ar = 2,6-diisopropylphenyl, was employed for the synthesisof a dicoordinate copper(I) complex. The ligand creates a very hydrophobic environment around the metal center as indicated by the crystal structures and FT-IR spectroscopy.
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Structural studies of a cold-adapted dimeric Beta-D-galactosidase from Paracoccus sp. 32d
PublikacjaThe crystal structure of a novel dimeric [beta]-D-galactosidase from Paracoccus sp. 32d (Par[beta]DG) was solved in space group P212121 at a resolution of 2.4 Å by molecular replacement with multiple models using the BALBES software. This enzyme belongs to glycoside hydrolase family 2 (GH2), similar to the tetrameric and hexameric [beta]-D-galactosidases from Escherichia coli and Arthrobacter sp. C2-2, respectively. It is the second...
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Engineering TADF, Mechanochromism, and Second Harmonic Up- conversion Properties in Regioisomeric Substitution Space
PublikacjaThis research article explores the distinct TADF efficiency of three donor-acceptor based regio-isomers: DPAOCN (ortho- isomer), DPAMCN (meta-isomer), and DPAPCN (para-isomer). DPAPCN exhibits maximum TADF efficiency in both solution and solid-state with an impressive reverse inter-system crossing (RISC) rate of ~ 106 s-1; the underlying cause being the minimum singlet-triplet splitting energy or ∆EST and maximum SOC (spin-orbit...
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Catena-Poly[{[mu]-[eta]5:[eta]5-1-[2-(dimethylamino)ethyl-[kappa]N]cyclopentadienyl}-lithium(I)-([mu]-1,1,3,3-tetra-tert-butyltriphosphane-[kappa]3P2:P1,P3)lithium(I)]
PublikacjaThe title compound, [Li2(C9H14N)(C16H36P3)]n, is a by-product of the reaction of [Cp(C5H4CH2CH2NMe2)ZrCl2]n with tBu2P-P(SiMe3)Li in toluene. It is a coordination polymer composed of infinite chains running along [010]. One Li(I) atom is chelated by the cyclopentadienyl ring and and the N atom of the scorpionate ligand and a P atom, whereas the other Li(I) atom is coordinated by the backside of the cyclopentadienyl ring and two...
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Synthesis and properties of HoT2Al20 (T = Ti, V, Cr) intermetallic cage compounds
PublikacjaPolycrystalline samples of HoT2Al20 (T = Ti, V, Cr) intermetallics were synthesized using a step-wise arc-melting technique. All three compounds adopt the CeCr2Al20-type crystal structure with Ho atoms positioned inside oversized icosahedral cages formed by Al atoms. The structure of HoV2Al20 compound is reported. The materials properties were studied by means of electrical resistivity, magnetic susceptibility, and specific heat...
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A Comprehensive Experimental and Theoretical Study on the[{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}2O Crystalline System
PublikacjaThe structure of tetraphosphetane zirconium complex C52H100N8OP10Zr21 was determined by single crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c, with a = 19.6452(14), b = 17.8701(12), c = 20.7963(14)Å, α = γ = 90°, β = 112.953(7)°, V = 6722.7(8)Å3, Z = 4. The electronic structure of the organometallic complex has been characterized within the framework of Quantum Chemical Topology....
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Intermetallic disordered magnet Gd2Pt1.1Ge2.9 and its relation to other AlB2 -type compounds
PublikacjaThe intermetallic germanide Gd 2 Pt 1.1 Ge 2.9 was synthesized using an arc-melting method. The crystal structure was characterized using powder x-ray diffraction, revealing a disordered ternary AlB 2 -type structure (space group P 6 / m m m , No. 191) with lattice parameters a = 4.2092 ( 1 ) Å and c = 4.0546 ( 2 ) Å . Physical properties were investigated by magnetic susceptibility and heat capacity measurements, which...
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Use of a wastewater recovery product (struvite) to enhance subtropical seagrass restoration
PublikacjaSeagrasses are in decline worldwide, and their restoration is relatively expensive and unsuccessful compared to other coastal systems. Fertilization can improve seagrass growth in restoration but can also release nutrients and pollute the surrounding ecosystem. A slow-release fertilizer may reduce excessive nutrient discharge while still providing resources to the seagrass's rhizosphere. In this study, struvite (magnesium ammonium...
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Underground Water Level Prediction in Remote Sensing Images Using Improved Hydro Index Value with Ensemble Classifier
PublikacjaThe economic sustainability of aquifers across the world relies on accurate and rapid estimates of groundwater storage changes, but this becomes difficult due to the absence of insitu groundwater surveys in most areas. By closing the water balance, hydrologic remote sensing measures offer a possible method for quantifying changes in groundwater storage. However, it is uncertain to what extent remote sensing data can provide an...
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The chemical and mechanical pressure influence on chromium luminescence
Dane BadawczeIn this study, we aim to compare the changes in the luminescence properties of Ga2O3:Cr3+ modified by Al or Sc ion substitution (chemical pressure) and hydrostatic pressure. We find the same behavior for Ga2–xAlxO3:Cr3+ and different behavior for Ga2–xScxO3:Cr3+ in terms of the optical properties under chemical and mechanical pressure. We consider Al...
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X-ray diffraction patterns of BaCe0.6Zr0.2Y0.1M0.1O3-δ (M = Fe, Pr, Tb)
Dane BadawczeThe dataset consists of three raw X-ray diffraction (XRD) files collected using a Phillips X’Pert Pro diffractometer (CuKα radiation (𝜆 = 1.541 Å), under 40 kV and 30 mA). The diffraction patterns of BaCe0.6Zr0.2Y0.1Fe0.1O3-δ (BCZYFe), BaCe0.6Zr0.2Y0.1Pr0.1O3-δ (BCZYPr), and BaCe0.6Zr0.2Y0.1Tb0.1O3-δ (BCZYTb) were collected at room temperature. Collected...
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Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
PublikacjaAbstract A series of diaminium thiosulfates, derivatives of diamines: NH2CH2CH(CH3)NH2 (1) and NH2(CH2)nNH2, n = 3-6 (2-5 respectively)and thiosulfuric acid were prepared and their structures determined by crystal X-ray diffraction analysis. Compounds 1, 2 and 4 turned out to be hydrates. The crystal structure of 1,2-proylenediaminium thiosulfate is chiral and exhibits spontaneous resolution. Crystals for both enantiomers...
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Acute Effects of Electronic and Tobacco Cigarette Smoking on Sympathetic Nerve Activity and Blood Pressure in Humans
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Synthesis and structural characterization of new cyclic siloxane with functionalized organic substituents
PublikacjaOcta(2-pyridyloxy)cyclotetrasiloxane was isolated as the product of the reaction between silicon disulfide and 2-hydroxypyridine. The new compound has been characterised by single crystal X-ray analysis, revealing a planar eight-membered ring with functionalized organic substituents on the silicon atoms.
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Methodology of the Morphometry Study on Baltic Herring
PublikacjaAcoustic techniques are used in the estimation of the abundance of Baltic herring. Investigations of the relationship between the Baltic herring individual target strength TS and the total fish length L, significant in the acoustic assessment, demonstrated its de-pendence on the study area location. It motivated the detailed analysis of the relationship between herring from the southern Baltic ICES Subdivisions 24, 25, and 26,...
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Modelling of acoustic backscattering by southern Baltic herring
PublikacjaAssessment of Baltic herring abundance can be carried out using acoustic techniques. Analysis of the relationship between the Baltic herring individual target strength, TS, and the total fish length, L, important for the acoustic assessment, showed the relationship to be dependent on the location of the study area. This finding motivated a detailed analysis of the relationship for the herring occurring in the southern Baltic...
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INCREASING THE COUNTRY'S SECURITY AND PUBLIC TRANSPORT ACCESSIBILITY BY CREATING A NETWORK OF SMALL AIRPORTS
PublikacjaIt has been shown that by creating a network of small airports, it is possible to increase the communication accessibility of large population groups and the country's security, including safety at sea. The airports mentioned above may also be located on land considered to be weak from an engineering point of view. These include, for example, wetlands, swamps, flood embankments, poor coastal belt grounds, and reclaimed land. A...
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Smart Blue Cities
PublikacjaThis paper presents the concept of Smart Cities from the perspective of those located by water, considering if there are more major differences in the way the concept is implemented in coastal cities, as opposed to those located anywhere else. It proves possible to point to such differences, in relation to the three key areas of mobility, the environment and living. Further consideration is given to specific legal and cross-cultural...
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The Examination of the Upper Layers of the Seabed by the Means of the Acoustic Methods
PublikacjaPropagation of acoustic waves in the sea, in particular in shallow sea, depends on several factors. The basic of them are source power and frequency of acoustic waves, spatial distribution inhomogeneous medium in which acoustic wave propagates, and distributions of speed of sound and density of seawater. The coastal conditions, which limit water medium from above (free surface of the sea) and from bottom (the seabed), are no less...
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A novel approach exploiting properties of convolutional neural networks for vessel movement anomaly detection and classification
PublikacjaThe article concerns the automation of vessel movement anomaly detection for maritime and coastal traffic safety services. Deep Learning techniques, specifically Convolutional Neural Networks (CNNs), were used to solve this problem. Three variants of the datasets, containing samples of vessel traffic routes in relation to the prohibited area in the form of a grayscale image, were generated. 1458 convolutional neural networks with...
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Methodology for the Correction of the Spatial Orientation Angles of the Unmanned Aerial Vehicle Using Real Time GNSS, a Shoreline Image and an Electronic Navigational Chart
PublikacjaUndoubtedly, Low-Altitude Unmanned Aerial Vehicles (UAVs) are becoming more common in marine applications. Equipped with a Global Navigation Satellite System (GNSS) Real-Time Kinematic (RTK) receiver for highly accurate positioning, they perform camera and Light Detection and Ranging (LiDAR) measurements. Unfortunately, these measurements may still be subject to large errors-mainly due to the inaccuracy of measurement of the optical...
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X-RAY DIFFRACTION STUDY OF BISMUTH LAYER-STRUCTURED MULTIFERROIC CERAMICS
PublikacjaGoal of the present research was to apply a solid state reaction route to fabricate bismuth layer-structured multiferroic ceramics described with the formula Bi5FeTi3O15 and reveal the influence of processing conditions on its crystal structure and phase composition. Simple oxide powders Bi2O3, TiO2 and Fe2O3 were used to fabricate Aurivillius-type bismuth layer-structured ferroelectrics. Pressureless sintering in ambient air was...
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La 15 Nb x Ge 9 : a superstructure of the Mn 5 Si 3 structure type with interstitial Nb atoms
PublikacjaThe crystal structure and elementary properties of La15NbxGe9 are reported. Single-crystal X-ray diffraction,from a crystallite with only 0.12 Nb/formula unit, reveals that this compound, although transition metal deficient, crystallizes in a hexagonal “15-1-9”-like structure type, space group P63mc (no. 186) with lattice parameters a = b = 15.5017(2) Å, c = 6.9173(2) Å. The physical properties were examined by specific heat and resistivity...
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Arbutin: Isolation, X-ray structure and computional studies
PublikacjaArbutin, an active component originated from Serratula quinquefolia for skin-whitening use and treating skin related allergic inflammation, was characterized by microanalysis, FTIR, UV-Vis, multinuclear NMR spectroscopy, and single crystal X-ray diffraction method. The geometries of the studied compound were optimized in singlet states using the density functional theory (DFT) method with B3LYP functional. Electronic spectra were...
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Lattice-commensurate skyrmion texture in a centrosymmetric breathing kagome magnet
PublikacjaSkyrmion lattices (SkL) in centrosymmetric materials typically have a magnetic period on the nanometer-scale, so that the coupling between magnetic superstructures and the underlying crystal lattice cannot be neglected. We reveal the commensurate locking of a SkL to the atomic lattice in Gd3Ru4Al12 via high-resolution resonant elastic x-ray scattering (REXS). Weak easy-plane magnetic anisotropy, demonstrated here by a combination...
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Seasonal and spatial differences in metal and metalloid concentrations in the snow cover of Hansbreen, Svalbard
PublikacjaMetals and metalloids in snow on glaciers, depending on the season of deposition, may come from various sources: local rock dust (erosion of the geological substratum), marine aerosol, local human activity (e.g. fuel combustion, waste incineration) and long-range atmospheric transport. Hansbreen glacier, located close to the Polish Polar Station in Svalbard, is a perfect site to study metals and metalloids: it has complex geological...
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Bromidotetrakis(2-ethyl-1H-imidazole-KN3)copper(II) bromide
PublikacjaThe CuII ion in the title complex, [CuBr(C5H8N2)4]Br, is coordinated in a square-pyramidal geometry by four N atoms of imidazole ligands and one bromide anion in the apical position. In the crystal, the ions are linked by a 3-D network of N-H---Br and CH---Br hydrogen bonds.
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Fuzzy Divisive Hierarchical Clustering of Solvents According to Their Experimentally and Theoretically Predicted Descriptors
PublikacjaThe present study describes a simple procedure to separate into patterns of similarity a large group of solvents, 259 in total, presented by 15 specific descriptors (experimentally found and theoretically predicted physicochemical parameters). Solvent data is usually characterized by its high variability, dierent molecular symmetry, and spatial orientation. Methods of chemometrics can usefully be used to extract and explore accurately...
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A comparative study of the performance of passive samplers
PublikacjaPodstawowym celem podjętych badań było porównanie pracy dozymetrów pasywnych wykorzystywanych na etapie izolacji i wzbogacania lotnych związków organicznych z powietrza atmosferycznego na terenie aglomeracji Trójmiejskiej. Jako próbniki do pobierania próbek analitów zastosowano komercyjne dozymetry pasywne typu dyfuzyjnego (Radiello i Orsa 5) oraz dozymetry typu permeacyjnego własnej konstrukcji wyposażone w półprzepuszczalną membranę...
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Fuzzy soft modeling of environmental data. A study of the impact of a Phosphatic Fertilizer Plant on the adjacent environment in Gdańsk
PublikacjaAnaliza podobieństwa obejmuje nie tylko zastosowanie logiki rozmytej, ale również wiele innych podejść matematycznych. Opracowano wiele algorytmów, których celem jest wyodrębnienie wyraźnych skupień (hard clusters) z danego zbioru danych. Prawdopodobnie najczęściej stosowanymi algorytmami są tzw. algorytmy c-średnie (c-means algorithms). Twarde c-średnie (hard c-means) służy do ostrej klasyfikacji, podczas której obiekt jest przypisany...
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Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies
PublikacjaA series of new linear trisubstituted N1-acylamidrazones have been investigated using a variety of analytical techniques and theoretical calculations to check the influence of the type of N1-acyl substituent on the resonance forms and conformational behavior in the solid state and in solution. The 1D- and 2D-NMR experiments, supported by computational studies, revealed that in solution all amidrazones exhibit conformational syn/anti...
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Superconductivity in a new intermetallic structure type based on endohedral Ta@Ir7Ge4 clusters
PublikacjaWe report the observation of superconductivity at a temperature near 3.5 K for the previously unreported compound TaIr2Ge2. In addition to being a superconductor, this material displays a new crystal structure type that contains endohedral clusters, as determined by single-crystal x-ray diffraction structure refinement; the structure is more complex than those of the commonly observed tetragonal 122 intermetallic phases. Despite...
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A comprehensive assessment of environmental pollution by means of heavy metal analysis for oysters' reefs at Hab River Delta, Balochistan, Pakistan
PublikacjaThe heavy metal pollution status of oyster reefs has been assessed with respect to ten metals pollutants in seawater, sediments, and tissues of above two oysters (soft tissues and shells) for assessing the pollution status in a short food chain in Hab River Delta. The results showed that heavy metals accumulated in M. bilineata were higher than those in M. cuttackensis. Simultaneously, the population of M. bilineata species has...
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Novel approach to ecotoxicological risk assessment of sediments cores around the shipwreck by the use of self-organizing maps
PublikacjaMarine and coastal pollution plays an increasingly important role due to recent severe accidents which drew attention to the consequences of oil spills causing widespread devastation of marine ecosystems. All these problems cannot be solved without conducting environmental studies in the area of possible oil spill and performing chemometric evaluation of the data obtained looking for similar patterns among pollutants and optimize...
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Hydrogen-bonded one-dimensional networks in 1:1 complexes of N,N`-bis(2-pi-rydyl)aryldiamines with anilic acid. Acta Cryst. Sect. C Crystal Struct.Commun.**2002 vol. 58 s. o735-o738, 4 rys. 4 tab. bibliogr. 15 poz. Jednowymiarowe sieci krystaliczne tworzone w wyniku oddziaływań wodorowych pomiędzy N,N`-bis(2-pirydylo)aryloaminami a kwasem anilowym.
PublikacjaOtrzymano związki kompleksowe kwasu anilowego z N,N`-bis(2-pirydylo)-1,4-diaminobenzenem oraz N,N`-bis(2-pirydylo)-4,4`-diaminobifenylem o stechiometrii1:1, a następnie przeprowadzono analizę rentgenograficzną monokryształów. Wobu przypadkach cząsteczki, wchodzące w skład kompleksu są powiązane ze sobąkonwencjonalnymi oddziaływaniami wodorowymi. Tym samym tworzy się jednowy-miarowa sieć krystaliczna z dziewięcioczłonowym pierścieniowym...
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DEM-FEM model of highly saturated soil motion due to seepage force
PublikacjaArtykuł poświęcono nowej propozycji rozwiązania problemu modelowania zjawiska transportu, które występuje wewnątrz wysoko-nawodnionego gruntu ziarnistego na skutek ciśnienia spływowego. Teoria oparta została na połączeniu metody elementów skończonych (FEM - Finite Element Method) - rozwiązania równań poro-elastycznych oraz metody poszczególnych elementów (DEM - Distinct Element Method), które dały podwójny model numeryczny. FEM...
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Elastic Fender-Dolphin Interaction for Economic Design of Berthing Dolphins
PublikacjaThe study addresses the question of the possible design benefits when considering the interaction between a modern marine modular rubber fender and a steel tubular pile substructure of a berthing dolphin. Absorption of the berthing kinetic energy of the vessel by a dualelasticity pile-fender berthing system is described in detail using the interactive treatment method (ITM). Application of the ITM is illustrated by a calculative...
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Postquarter-Point Case of Ship’s Side-Berthing and Its Influence on Marine Fender Pitch
PublikacjaThis paper presents a critical analysis of some selected codes and practical recommendations used as basic rules in the design procedures of modern marine fender systems. The first part of the discussion pertains to the existing equations used in calculating the eccentricity coefficient in the ship’s kinetic energy equation and the maximum allowable fender pitch (spacing) in a set of fenders installed along a quay wall. A new approach...
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<i>N,N</i>'-diphenylthiourea acetone monosolvate
PublikacjaIn the title compound, C13H12N2S·C3H6O, the phenyl rings of the thiourea molecule are in syn and anti positions in relation to the C=S bond. Two molecules are connected by N-HS=C hydrogen bonds into a centrosymmetric dimer. An additional N-HO=C hydrogen bond to the acetone solvent molecule and some weak C-H interactions reinforce the crystal structure.
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Efficient method for octahedral NH2-MIL-125 (Ti) synthesis: Fast and mild conditions
PublikacjaA new hot injection method for preparing octahedral NH2-MIL-125 (Ti) was developed. This method is six times faster and conducted under milder conditions, i.e., at 120°C in a flask, and exhibits higher crystal formation efficiency than the commonly used solvothermal method while maintaining comparable structural, optical, and photocatalytic properties.
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Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas
PublikacjaSix new 1-benzoyl-3-phenylthiourea and 1-benzoyl-3-(2-methylphenyl)thiourea complexes of mercury( II) were obtained in the reactions of the ligands with HgX2 in methanol (X = Cl, Br, I). Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organization. Coordination centers adopt more or less distorted tetrahedral geometry (five structures) or distorted trigonal...
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Lipophilicity data for some preservatives estimated by reversed-phase liquid chromatography and different copmutation methods
PublikacjaW pracy przedstawiono wyniki badań właściwości chromatograficznych wybranych 12 związków z grupy kopnserwantów. Lipofilowy charakter tych związków był oceniany na podtsawie różnych parametrów retencyjnych (log Kw, log K i inne. Zastosowano narzędzie chemometryczne do zbadania korelacji występujących pomiędzy tymi parametrami retencji chromatogfraficznej.
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Backscattering properties of southern Baltic herring
PublikacjaReliable TS(L) relationship is required to improve acoustic algorithms of abundanceestimation of Baltic herring. The relationships, empirically obtained in different parts of theBaltic Sea, produce up to 8 dB – difference in the herring TS. In order to develop an accurateTS(L) relationship, it is important to analyze factors controlling the TS variability. Thepossible impact of the regional difference...
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Multibeam Sonar Characterisation of Seafloor in the Context of Visualisation and Dissemination of Marine Data
PublikacjaThe paper presents the seafloor characterisation method based on multibeam sonar data. it relies on using three types of multibeam seafloor sensing data: 1) the grey-level sonar images (echograms) of seabed, 2) the 3D model of the seabed surface which consists of high resolution bathymetric data, 3) the set of time domain bottom echo envelopes received in the consecutive sonar beams. The classification is performed by utilisation...
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Review of Shoreline Extraction Methods from Aerial Laser Scanning
PublikacjaAutonomous technologies are increasingly used in various areas of science. The use of unmanned vehicles for hydrographic surveys in shallow coastal areas requires accurate estimation of shoreline position. This is a nontrivial task, which can be performed using a wide range of sensors and methods. The aim of the publication is to review shoreline extraction methods based solely on data from aerial laser scanning (ALS). This narrative...