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Search results for: ARENE RUTHENIUM COMPLEX
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Block Conjugate Gradient Method with Multilevel Preconditioning and GPU Acceleration for FEM Problems in Electromagnetics
PublicationIn this paper a GPU-accelerated block conjugate gradient solver with multilevel preconditioning is presented for solving large system of sparse equations with multiple right hand-sides (RHSs) which arise in the finite-element analysis of electromagnetic problems. We demonstrate that blocking reduces the time to solution significantly and allows for better utilization of the computing power of GPUs, especially when the system matrix...
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How proteins bind to DNA: target discrimination and dynamic sequence search by the telomeric protein TRF1
PublicationTarget search as performed by DNA-binding proteins is a complex process, in which multiple factors contribute to both thermodynamic discrimination of the target sequence from overwhelmingly abundant off-target sites and kinetic acceleration of dynamic sequence interrogation. TRF1, the protein that binds to telomeric tandem repeats, faces an intriguing variant of the search problem where target sites are clustered within short fragments...
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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublicationThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...
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RESIDENTIAL FUNCTION IN MULTI-CRITERIA MULTIFUNCTIONAL BUILDING SYSTEM DESIGN PROCESS
PublicationThe paper presents the multi-criteria approach in the design process of residential structure as a part of a multifunctional building system. The purpose of work was to broaden the field of multifunctional building system design process. Background for the presented work is to define the direction of architectural growth of the modern city center area where actually are built complex and large capacity structures with a great impact...
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Metoda prognozowania mocy skrawania przy przecinaniu piłami polskiego drewna sosnowego z uwzględnieniem wiązkości materiału obrabianego
PublicationW pracy zostały przedstawione wartości właściwości materiałowych tj.: wiązkość R oraz naprężenia tnące w strefie skrawania τy, dla drewna sosnowego (Pinus sylvestris L.). Badane próbki drewna pochodziły z czterech Krain Przyrodniczo - Leśnych Polski: Bałtyckiej Krainy Przyrodniczo - Leśnej (kraina A), Karpackiej Krainy Przyrodniczo - Leśnej (kraina B), Małopolskiej Krainy Przyrodniczo - Leśnej (kraina C) oraz Wielkopolsko - Pomorskiej...
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Commercial systems for automatic detection of events. Features, limitations and potential solutions
PublicationVideo Content Analysis (VCA). Motion detection. Example of complex VCA system. Commercial VCA systems and their applications. Limitations and problems. Possible solutions.
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Trans-Dichloridobis(triisopropylphosphine-kP)palladium(II)
PublicationThe title compound, [PdCl2(C9H21P)2], is a centrosymmetric mononuclear palladium(II) complex. The PdII atom, which lies on an inversion center, is in a square-planar geometry.
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Syntactic modular decomposition of large ontologies with relational database
PublicationSupport for modularity allows complex ontologies to be separated into smaller pieces (modules) that are easier to maintain and compute. Instead of considering the entire complex ontology, users may benefit more by starting from a problem-specific set of concepts (signature of problem) from the ontology and exploring its surrounding logical modules. Additionally, an ontology modularization mechanism allows for the splitting up of...
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Environmentally friendly polymer-rubber composites obtained from waste tyres: A review
PublicationThe paper is transdisciplinary. The complex overview on changes in policy and approach to waste tyres that leads to both solving environmental problem of post consumer tyres and creating environmentally friendlier novel materials are presented. It is shown that in the world, the amount of polymer wastes increases every year. Most of them are in the form of post-consumer tyres. Recycling and recovery of such tyres is a serious environmental...
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Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study
PublicationWe report the first series of homoleptic phosphido iron complexes synthesized by treating either the β-diketiminato complex [(Dippnacnac)FeCl2Li(dme)2] (Dippnacnac = HC[(CMe)N(C6H3-2,6-iPr2)]2) or [FeBr2(thf )2] with an excess of phosphides R2PLi (R = tBu, tBuPh, Cy, iPr). Reaction outcomes depend strongly on the bulkiness of the phosphido ligands. The use of tBu2PLi precursor led to an anionic diiron complex 1 encompassing a planar...
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Proces zmiany sprzedawcy energii elektrycznej w Polsce dla odbiorcy w gospodarstwie domowym
PublicationW publikacji przedstawiono proces zmiany sprzedawcy energii elektrycznej dla odbiorcy w gospodarstwie domowym, prowadzony w detalicznym segmencie rynku energii. Szczególny nacisk położono na proces bazujący na generalnej umowie dystrybucji dla usługi kompleksowej. Odniesiono się do wszystkich, istotnych regulacji mających zastosowanie do poruszanych kwestii, ze szczególnym uwzględnieniem zapisów instrukcji ruchu i eksploatacji...
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Linking Fashion and Tourism: From Body to Clothing and Lifestyle
PublicationThere are many profound links between fashion and tourism. This chapter provides a critical reflection, mainly from a philosophical, historical, and linguistic perspective, on the dynamic relationship and parallel evolution between these two sectors. It explains how their intercon nectedness form and mirror contemporary society. This chapter classifies the connections between the two, starting with the person, her body, and the...
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APIS – Agent Platform for Integration of Services
PublicationThe paper presents an approach to creating the platform for development and evaluation of complex tasks execution algorithms. Proposed solution is based on an agent paradigm where independent peers can cooperate and negotiate in order to execute specified tasks which are defined only by the final output description. Tasks are realized by the means of services exposed by different peers. In case when there is no single service fulfilling...
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Dissociative electron attachment and anion-induced dimerization in pyruvic acid
PublicationWe report partial cross sections for the dissociative electron attachment to pyruvic acid. A rich fragmentation dynamics is observed. Electronic structure calculations facilitate the identification of complex rearrangement reactions that occur during the dissociation. Furthermore, a number of fragment anions produced at electron energies close to 0 eV are observed, that cannot originate from single electron-molecule collisions....
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Socio-economic exclusion as a hindrance of economic development. A comparative study for European countries
PublicationThe paper consists of multidimentional analysis of social and economic exclusions which are treated as main barriers for economic development. This complex study covers all European countries. The timespan is set for 2004-2011
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Copper(II) complexes with substituted imidazole and chlorido ligands: X-ray, UV-Vis, magnetic and EPR studies and chemotherapeutic potential
PublicationCrystal structures, UV-Vis and EPR spectra and magnetic properties of four copper(II) complexes with chloride anions and 4-methylimidazole, 2-ethylimidazole, 2-isopropylimidazole or 2-ethyl-4-methylimidazole are described. In the solid state three of the complexes are mononuclear and one complex with 2-ethylimidazole is binuclear with bridging chlorido ions. UV-Vis spectra of the methanolic solutions of the complexes show LMCT...
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An Analysis of Elliptical-Rectangular Multipatch Structure on Dielectric-Coated Confocal and Nonconfocal Elliptic Cylinders
PublicationA rigorous analysis of the resonance frequency problem of an elliptical-rectangular microstrip structure mounted on dielectric-coated elliptic conducting cylinder, with electrically small radius, is investigated in this paper. A full-wave analysis and a moment-method calculation are employed. The analysis is carried out considering the expansion of the field as a series of Mathieu functions. The complex resonance frequencies of...
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A Note on Fractional Curl Operator
PublicationIn this letter, we demonstrate that the fractional curl operator, widely used in electromagnetics since 1998, is essentially a rotation operation of components of the complex Riemann–Silberstein vector representing the electromagnetic field. It occurs that after the wave decomposition into circular polarisations, the standard duality rotation with the angle depending on the fractional order is applied to the left-handed basis vector...
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Effectiveness of a mathematical model in simulating nonlinear mechanical behaviour of a seismic isolation system made of polymeric bearings
PublicationThe present study was focused on determining the effectives of a nonlinear mathematical model in simulating complex mechanical behaviour of a seismic isolation system made of Polymeric Bearings. The proposed mathematical model defines the lateral force as a nonlinear function of the shear displacement and the deformation velocity. The effectiveness of the proposed mathematical model was verified by comparing the seismic response...
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The Impact of Contemporary Technology on Shell Structures: Material and Light Solutions
PublicationWith the development of technology and the materials used, shell structures have developed into more complex forms. This article is a comparison between contemporary and historical shell structures. The change is an effect of the evolution in the design process that is the result of parametric design thinking. The study aims to investigate the impact of new technologies on the architectural form of shell structures. Was there any...
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Evaluation and cellular responses of modulators of TRF1/TRF2 protein’s function as potential anticancer drugs interfering with telomeric shelterin’s function
PublicationA number of proteins that interact with telomeres have been identified in human cells, indicating the high plasticity of human nucleoprotein complex organization. The most important complex is the "shelterin" complex, which consists of six proteins: TRF1, TRF2, TIN2, POT1, TPP1. The TRF1 and TRF2 directly bind to telomeric double-stranded DNA and the TIN2 protein. The TIN2 protein also binds to the TPP1 protein, stabilizing the...
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Generation and Characterization of a DNA-GCN4 Oligonucleotide-Peptide Conjugate: The Impact DNA/Protein Interactions on the Sensitization of DNA
PublicationRadiotherapy, the most common therapy for the treatment of solid tumors, exerts its effects by inducing DNA damage. To fully understand the extent and nature of this damage, DNA models that mimic the in vivo situation should be utilized. In a cellular context, genomic DNA constantly interacts with proteins and these interactions could influence both the primary radical processes (triggered by ionizing radiation) and secondary reactions,...
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Social development – a multidimensional approach to social development analysis. Country level evidence.
PublicationThe paper constitutes an extensive analysis of level of social development in multidimensional and complex way. The study covers 144 world countries. Each country is analyzed in from the perspective of 8 non-income variables in 2011.
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Interaction of cisplatin and two potential antitumoral platinum(ii) complexes with a model lipid membrane: a combined NMR and MD study
PublicationIn this study, the interaction of cisplatin (1) and two potential antitumoral Pt(II) complexes (2 and 3) with a model DMPC bilayer was investigated by multinuclear NMR spectroscopy and MD simulations in order to understand its implication for the different antitumoral properties shown by the three complexes. In particular, 31P, 13C and 2H solid state NMR experiments were performed to obtain information on the phase structure, phase...
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A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublicationThe optical properties of a new(bipyridine)2Ru(4H-imidazole) complex presenting a remarkablebroad absorption in the visible range are investigated. Thestrong overlap of the absorption with the solar radiationspectrum renders the studied complex promising as a blackabsorber and hence as a starting structure for applications inthe field of dye-sensitized solar cells. The correlations betweenstructural and electronic features for...
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Thermal decomposition of [Cd{SSi(OBut)3}(S2CNC4H8)]2 to CdS “micro-noodles”
PublicationThis work presents studies on thermal degradation of novel heteroleptic complex possessing mixed S-donor ligands, [Cd{SSi(OBut)3}(S2CNC4H8)]2 using TGA, DSC, TGA-IR, SEM and XRD methods.
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Resonance in Rectangular Microstrip Structure Loaded with a Pseudochiral Medium Layer
PublicationA rectangular microstrip structure with multilayer substrate containing dielectric and pseudochiral medium layers is studied in this paper. The effect of Omega medium layer location in the substrate and its thickness on the complex resonant frequency of the rectangular microstrip structure is investigated.
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Analysis of elementary cellular automata using the theory of conflict
PublicationThe paper contains decomposition of elementary cellular automata (ECA in short) to subsystems that are defined according to a new theory called theory of conflict (ToC in short). The decomposition is a completely new approach to analysis of ECA and complex systems in general.
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Multidimensional Monitoring System of State Machines
PublicationTechnical systems are more complex every day as their electronics and mechanics. Technical advances tend to be autonomous in its performance and perform an auto-diagnosis that allows determining an abnormality existence in a component or subsystem and deciding if the system has to be stopped or not.
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Kernel PCA in Application to Leakage Detection in Drinking Water Distribution System
PublicationMonitoring plays an important role in advanced control of complex dynamic systems. Precise information about system's behaviour, including faults detection, enables efficient control. Proposed method- Kernel Principal Component Analysis (KPCA), a representative of machine learning, skilfully takes full advantage of the well known PCA method and extends its application to nonlinear case. The paper explains the general idea of KPCA...
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Mononuclear sodium(I) and copper(I) silanethiolates
PublicationStericallyencumberedligand(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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Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] towards selected ketones
PublicationIn this work, we report a new type of reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] (1) towards ketones (BDI* = 2,6-diisopropylphenyl-β-methyldiketiminate ligand). In the reaction of 1 with acetone, cyclopentanone or cyclohexanone, a ketone moiety is inserted into Ti–Pphosphanyl or Ti–Pphosphido bonds to form complexes with a new C–P–P moiety, providing [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2-C(Me)2O}] (2a), [(BDI*)Ti(Cl){η2-OC(Me)2P(SiMe3)-PiPr2}]...
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Testing Stability of Digital Filters Using Optimization Methods with Phase Analysis
PublicationIn this paper, novel methods for the evaluation of digital-filter stability are investigated. The methods are based on phase analysis of a complex function in the characteristic equation of a digital filter. It allows for evaluating stability when a characteristic equation is not based on a polynomial. The operation of these methods relies on sampling the unit circle on the complex plane and extracting the phase quadrant of a function...
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Testing Stability of Digital Filters Using Multimodal Particle Swarm Optimization with Phase Analysis
PublicationIn this paper, a novel meta-heuristic method for evaluation of digital filter stability is presented. The proposed method is very general because it allows one to evaluate stability of systems whose characteristic equations are not based on polynomials. The method combines an efficient evolutionary algorithm represented by the particle swarm optimization and the phase analysis of a complex function in the characteristic equation....
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Hybridization of the FDTD method with use of the discrete Green's function
PublicationIn this contribution, a hybrid technique is presented which combines the finite-difference time-domain (FDTD) method and the discrete Green's function (DGF) formulation of this method. FDTD is a powerful technique for the analysis of complex penetrable objects but its application is not efficient when the computational domain includes many free-space cells. Therefore, the hybrid method was developed which is applicable to complex...
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Evolution of artificial single-cell organisms foraging for resources in a 3-dimensional environment
PublicationForaging for resources is a simple cognitive task that even one-celled biological organisms can ac- complish. We present an Artificial Life system in which artificial unicellular organisms (animats) forage for food in a 3-dimensional simulated liquid environment. The movement of animats is controlled by evolving artificial gene regulatory networks encoded in linear genomes. When an animat consumes enough food, it produces offspring...
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Digital microcontroller for sonar waveform generator
PublicationGenerating sounding signals is essential for the operation of active sonar. The system should be highly reliable. This can be achieved through architecture, communication between the devices, and a well-designed and self–testing software. The system presented in the article is responsible for the generation of hydroacoustic sounding signals, and ensures proper interaction between power amplifiers and power supplies. Thanks to its...
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How can analysts use multicriteria decision analysis?
PublicationProper decision making in multifacitated situation is very challenging task. It is especially difficult if there are many alternatives and criteria that are often contradictory. Analytical chemistry and related sciences involve many situations where decisions on complex problems are made. The support tools may be the use of MCDA (Multi-criteria Decision Analysis) algorithms. They formalize the decision process, make it transparent...
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VARIANT DESIGNING IN the PRELIMINARY SMALL SHIP DESIGN PROCESS
PublicationShip designing is a complex process, as the ship itself is a complex, technical multi-level object which operates in the air/water boundary environment and is exposed to the action of many different external and internal factors resulting from the adopted technical solutions, type of operation, and environmental conditions. A traditional ship design process consists of a series of subsequent multistage iterations, which gradually...
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Methodology for hospital design in architectural education
PublicationThe architecture of a hospital should be a response to strong user requirements. Recommendations on how to shape the environment of such facilities are highly complex, integrating guidelines from many fields of science. If contradictions between them exist, the designer is required to set priorities for spatial activities. This issue is particularly important during architectural education. The learning process should include projects...
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Analytical and bioanalytical problems associated with the toxicity of elemental sulfur in the environment
PublicationWe summarize the state of knowledge on the toxicity and the bioavailability of elemental sulfur. We also present: analytical methods used to determine the elemental sulfur content of samples with complex matrices; and, problems and difficulties encountered while using biotests for samples containing elemental sulfur.
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Advanced Hysteretic Model of a Prototype Seismic Isolation System Made of Polymeric Bearings
PublicationThe present paper reports the results of acomprehensive study designed to verify the effectiveness of an advanced mathematical model in simulating the complex mechanical behaviour of a prototype seismic isolation system made of polymeric bearings (PBs). Firstly, in order to construct the seismic bearings considered in this research, a specially prepared flexible polymeric material with increased damping properties was employed....
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The Reactivity of Phosphanylphosphinidene Complexes of Transition Metals Toward Terminal Dihaloalkanes
PublicationThe reactivities of phosphanylphosphinidene complexes [(DippN)2W(Cl)(η2-P−PtBu2)]− (1), [(pTol3P)2Pt(η2- P=PtBu2)] (2), and [(dppe)Pt(η2-P=PtBu2)] (3) toward dihaloalkanes and methyl iodide were investigated. The reactions of the anionic tungsten complex (1) with stochiometric Br(CH2)nBr (n = 3, 4, 6) led to the formation of neutral complexes with a tBu2PP(CH2)3Br ligand or neutral dinuclear complexes with unusual tetradentate...
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Automated Design of Linear Phase Filters
PublicationThis paper presents a fast technique for an automated design of microwave filters with linear phase. The proposed method exploits the cost function defined using the location of complex zeros and poles of the filter’s transfer and reflection function. The effectiveness of the proposed technique is presented with two illustrative examples.
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Synthesis of compounds with C-P-P and C=P-P bond systems based on the phospha-Wittig reaction
PublicationA reactivity study of a β-diketiminate titanium(III) phosphanylphosphido complex [MeNacNacTi(Cl){η2-P(SiMe3)-PtBu2}] (1) towards ketones such as benzophenone, 9-fluorenone, acetophenone, cyclopentanone, cyclohexanone and cycloheptanone is reported. The reactions of 1 with aromatic ketones (without α-protons) directly lead to the Ti(III) complex [MeNacNacTi(μ2-Cl)(OSiMe3)] (5) as well as Ti(IV) complexes with the pinacol condensation...
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Construction of glucosamine-6-phosphate synthase with an internal hexahistydyl fragment
PublicationL-Glutamine: D-fructose-6-phosphate aminotransferase (EC 2.6.1.16), known also as glucosamine-6-phosphate (GlcN-6-P) syntase, catalyzes the first committed step in the amino sugar biosynthetic pathway in prokaryotic and eukaryotic organisms. The enzyme carries out a complex reaction involving ammonia transfer and sugar phosphate isomerization. GlcN-6-P syntase is an important point of metabolic control of amino sugar biosynthesis...
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Comparison of the coordination geometries of Zn(II) and Cd(II) ions in complexes with water, methanol and bulky aryloxysilanethiolate ligands
PublicationZinc and cadmium complexes containing silanethiolate anions and methanol or water were synthesized and characterized by X-ray diffraction, FT-IR and NMR spectroscopy, and DFT calculations. Contrary to zinc, the cadmium ion utilizes very weak donors to complete its coordination sphere; it forms contacts to phenyl rings of the silanethiolate ligand. Two zinc analogs of the general formula [Zn{SSi(OAr)3}2(L)2] where L = CH3OH (2)...
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Mathematical Modelling of a Seismic Isolation System to Protect Structures During Damaging Earthquakes
PublicationThe present study aims to determine the effectiveness of a nonlinear mathematical model in simulating complex mechanical behaviour of a seismic isolation system to protect structures during strong and damaging earthquakes. In order to construct the Polymeric Bearings considered in this research, a specially prepared flexible polyurethane elastomer with increased damping properties has been used. The usefulness of the proposed mathematical...
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Bromidotetrakis(2-ethyl-1H-imidazole-KN3)copper(II) bromide
PublicationThe 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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Collagen type II–hyaluronan interactions – the effect of proline hydroxylation: a molecular dynamics study
PublicationHyaluronan–collagen composites have been employed in numerous biomedical applications. Understanding the interactions between hyaluronan and collagen is particularly important in the context of joint cartilage function and the treatment of joint diseases. Many factors affect the affinity of collagen for hyaluronan. One of the important factors is the ratio of 3- or 4-hydroxy proline to proline residues. This article presents...