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Wyniki wyszukiwania dla: atom-molecule interaction
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Changing by light - how the lighting of intelligent spaces can influence the urban image
PublikacjaIn the article light will be presented as a tool in the process of transforming the urban space. The reason for this use of light is the commercial aspect of space that forces it to be still competitive and profitable. Such a need gives rise to many innovative solutions in the city space, which allow transmitting information in order to attract human attention, and sometimes make it even possible to involve the user in the interaction...
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Mechanical, thermo-mechanical properties of epoxy/glass composites with submicron particles
PublikacjaIn this research the influence of submicron zinc oxide and silicon dioxide particles on mechanical, thermo-mechanical properties of epoxy matrix composites reinforced with glass fibres was investigated. Composites were fabricated using hand lay-up method. Materials contained 39-41 wt.% of glass fibres. The bending tests, dynamic mechanical analysis and tribological tests were performed on each group of composites and also for...
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Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results
PublikacjaThe interaction between sertraline hydrochloride (SRT) and randomly methylated β-cyclodextrin (RM β CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used—Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (DH), the entropy (DS) and the Gibbs free energy (DG) of binding for the examined system. Moreover, the stoichiometry coefficient...
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A non-linear direct peridynamics plate theory
PublikacjaIn this paper a direct non-local peridynamics theory for thin plates is developed. Peridynamic points are assumed to behave like rigid bodies with independent translation and finite rotation degrees of freedom. The non-local mechanical interaction between points is characterized by force and moment vectors. The balance equations including the linear momentum, the angular momentum and the energy are presented. Peridynamic deformation...
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Keystroke Dynamics Patterns While Writing Positive and Negative Opinions
PublikacjaThis paper deals with analysis of behavioural patterns in human–computer interaction. In the study, keystroke dynamics were analysed while participants were writing positive and negative opinions. A semi-experiment with 50 participants was performed. The participants were asked to recall the most negative and positive learning experiences (subject and teacher) and write an opinion about it. Keystroke dynamics were captured and...
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A study of jet impingement cooling enhancement by concave and convex heat sink shape modifications
PublikacjaThe rising demand for efficient cooling technologies is a strong driver of extensive research in this area. This trend is particularly strong in turbines and microprocessors technology. Presented study is focused on the jet impingement cooling concept, which is used in various configurations for many years. The potential of the heat sink shape modification is not yet fully explored. Available literature suggests that average Nusselt...
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Innowacja urbanistyczna w kontekście kształtowania środowiska mieszkaniowego
Publikacja.
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Green Therapy w projektowaniu ośrodków medycznych Green Therapy in complex design of health centres
PublikacjaKoncepcja przestrzenna ogrodu terapeutycznego podporządkowana jest generalnej idei otwierania się projektantów na poszukiwanie nowych możliwości poprawy samopoczucia odbiorcy - poprzez zapewnienie użytkownikom poczucia bezpieczeństwa, komfortu i odprężenia, harmonii. Dotyczy to nie tylko grupy osób chorych, które dręczone są przez niepokoje i napięcia wywołane przez niepełnosprawność czy chorobę, ale także pacjentów w różnym wieku...
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Thermoplastic polyurethanes derived from petrochemical or renewable resources: A comprehensive review
PublikacjaThermoplastic polyurethanes (TPUs) materials are obtained by the reaction of polyol (ether-, ester-, and carbonate-based diols with average molecular weight in the range from 1,000 to 3,000 g/mol) with aliphatic or aromatic diisocyanates. Synthesized materials consist of the hard and soft segments which are separated in different level. All mechanical and thermal properties of TPUs depend on the chemical structure of used monomers,...
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Stability and load bearing capacity of a braced truss under upward wind loading
PublikacjaThe paper is focused on the numerical and experimental investigation of stability of a steel truss under upward wind loading. The structure was stiffened by elastic braces situated at the top and bottom chord. Usually the lateral (translational) brace stiffness is considered. However, the rotational stiffness of braces caused by interaction between torsional stiffness of the truss top chord and bending stiffness of the roof elements...
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Stability and load bearing capacity of a braced truss under upward wind loading
PublikacjaThe paper is focused on the numerical and experimental investigation of stability of a steel truss under upward wind loading. The structure was stiffened by elastic braces situated at the top and bottom chord. Usually the lateral (translational) brace stiffness is considered. However, the rotational stiffness of braces caused by interaction between torsional stiffness of the truss top chord and bending stiffness of the roof elements...
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Thermal-FSI modeling of flow and heat transfer in a heat exchangerbased on minichanels
PublikacjaIn this paper selected numerical modelling problems for an advanced thermal-FSI ("Fluid Solid Interaction") mini-channel heat exchanger model are presented. Special attention is given to the heat transfer between the separated mediums for different mass flows. Similar modelling problems have also been discussed in the literature dedicated to numerical and theoretical modelling problems for typical heat exchangers [1, 2, 3]. Basic...
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Two kinds of oxygen vacancies in lithium titaniate doped with copper as detected by EPR
PublikacjaLithium titanate (Li1+xTi2-xO4) doped with Cu2+ ions was synthesized by sol-gel processing method. The structure and morphology are characterized by X-ray Diffraction (XRD), X-ray Photoemission Spectroscopy (XPS), Scanning Electron Microscopy (SEM) and Electron Paramagnetic Resonance (EPR). Spin Hamiltonian parameters describing Zeeman and hyperfine interaction for 63Cu2+ ions were obtained from EPR spectra simulations. The spectra...
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A dynamic vehicle-bridge model based on the modal identification results of an existing EN57 train and bridge spans with non-ballasted tracks
PublikacjaThis paper addresses the methodology of the bridge-vehicle dynamic model definition based on the free response measurements of an existing train and existing bridge spans. In the case of the railway vehicle, the methodology uses the impulse excitations of a single car by means of the wedge method. In the case of the bridge spans, free responses are collected after the passages of trains. The global modal parameters (frequencies...
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Open smart glasses development platform for AAL applications
PublikacjaThis paper describes an open platform for multi sensory electronic glasses that supports new and enhanced methods for intelligent interaction with patients, with smart objects, or to be used as new data input modalities like proximity sensor or smart textile interfaces. All the activities have been developed, investigated and evaluated within EU CHIST-ERA eGlasses project...
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Determination of Odor Intensity of Binary Gas Mixtures Using Perceptual Models and an Electronic Nose Combined with Fuzzy Logic
PublikacjaMeasurement and monitoring of air quality in terms of odor nuisance is an important problem. From a practical point of view, it would be most valuable to directly link the odor intensity with the results of analytical air monitoring. Such a solution is offered by electronic noses, which thanks to the possibility of holistic analysis of the gas sample, allow estimation of the odor intensity of the gas mixture. The biggest problem...
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Low-energy positron scattering from gas-phase benzene
PublikacjaIn this paper we are presenting calculations of the elastic cross section of positrons with gas-phase benzene for the energy range from 0.25 eV to 9.0 eV. The calculations are done with the molecular R-matrix method for positron-scattering from poly-atomic molecules using a scaling factor to scale the electron-positron interaction. The scaling factor influences the position of the poles of the R-matrix. We adjust the scaling factor...
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Space and spatial practices in times of confinement. Evidence from three European countries: Austria, France and Poland
PublikacjaIn the first half of 2020, millions of people were subjected to drastic restrictions aimed at limiting the spread of the Covid-19 disease. Austria, France and Poland have implemented a lockdown to varying degrees and for varying lengths of time. This is an unprecedented situation in Europe: until now, even in times of war, curfew measures have never been applied 24 h a day. The research presented in this article was carried out...
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Impact of the Alkyl Side Chains of Cations and Anions on the Activity and Renaturation of Lysozyme: A Systematic Study Performed Using Six Amino‐Acid‐Based Ionic Liquids
PublikacjaThe impact of the structure of ionic liquid on the activity and renaturation of lysozyme from the hen egg white (HEWL) was investigated. A set of six ionic liquids based on morpholinium cation and N-acylated amino acids as anions were exploited. The matrix used was based on two homologous series: one with N-acetyl-L-valinate [Val] as a common anion and morpholinium cation with a different number of carbon atoms in the n-alkyl chain...
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Tin Oxide Encapsulated into Pyrolyzed Chitosan as a Negative Electrode for Lithium Ion Batteries
PublikacjaTin oxide is one of the most promising electrode materials as a negative electrode for lithium-ion batteries due to its higher theoretical specific capacity than graphite. However, it suffers lack of stability due to volume changes and low electrical conductivity while cycling. To overcome these issues, a new composite consisting of SnO2 and carbonaceous matrix was fabricated. Naturally abundant and renewable chitosan was chosen...
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An Island of Connectedness: Intra-Insular and Inter-Regional Communications of Rab Island (North-East Adriatic, Kvarner Gulf), Croatia
PublikacjaDrawing from archaeological data on Prehistoric and Roman settlement patterns, and respective sepulchral features, just as on later historic and cartographic sources, in this contribution it will be shown how movement along with mobility influenced on and were an integral part of settlement dynamics on the island of Rab (NE Adriatic, Croatia). The employed approach sees the practice of movement as dependent on specific social...
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Efficiency of acoustic heating produced in the thermoviscous flow of a fluid with relaxation
PublikacjaInstantaneous acoustic heating of a fluid with thermodynamic relaxation is the subject of investigation. Among others, viscoelastic biological media described by the Maxwell model of the viscous stress tensor, belong to this type of fluid. The governing equation of acoustic heating is derived by means of the special linear combination of conservation equations in differential form, allowing the reduction of all acoustic terms in...
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Nonlinear generation of non-acoustic modes by low-frequency sound in a vibrationally relaxing gas
PublikacjaTwo dynamic equations referring to a weakly nonlinear and weakly dispersive flow of a gas in which molecular vibrational relaxation takes place. are derived. The first one governs an excess temperature associated with the thermal mode, and the second one describes variations in vibrational energy. Both quantities refer to non-wave types of gas motion. These variations are caused by the nonlinear transfer of acoustic energy into...
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Acoustic heating produced in the thermoviscous flow of a bingham plastic
PublikacjaThis study is devoted to the instantaneous acoustic heating of a Bingham plastic. The model of the Bingham plastic's viscous stress tensor includes the yield stress along with the shear viscosity, which differentiates a Bingham plastic from a viscous Newtonian fluid. A special linear combination of the conservation equations in differential form makes it possible to reduce all acoustic terms in the linear part of of the final equation...
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Non-linear behaviour of base-isolated building supported on flexible soil under damaging earthquakes
PublikacjaSeismic isolation is a strategy to reduce damage of structures exposed to devastating earthquake excitations. Isolation systems, applied at the base of buildings, lower the fundamental frequency of the structure below the range of dominant frequencies of the ground motion as well as allow to dissipate more energy during structural vibrations. The effectiveness of the base-isolated buildings in damage reduction has been confirmed...
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Multimode systems of nonlinear equations: derivation, integrability, and numerical solutions
PublikacjaWe consider the propagation of electromagnetic pulses in isotropic media taking a third-order nonlinearityinto account. We develop a method for transforming Maxwell's equations based on a complete set ofprojection operators corresponding to wave-dispersion branches (in a waveguide or in matter) with thepropagation direction taken into account. The most important result of applying the method is a systemof equations describing the...
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Acoustic heating produced in the thermoviscous flow of a Bingham plastic
PublikacjaThis study is devoted to the instantaneous acoustic heating of a Bingham plastic. The model of the Bingham plastic's viscous stress tensor includes the yield stress along with the shear viscosity, which differentiates a Bingham plastic from a viscous Newtonian fluid. A special linear combination of the conservation equations in differential form makes it possible to reduce all acoustic terms in the linear part of of the final equation...
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Comparison between measured and calculated underwater pressure of merchant ship
PublikacjaFrom 2012 The Polish Naval Academy take part in an international research project SIRAMIS, carried out in the framework of the European Defence Agency. The objective of this project is to improve the understanding of ship signature interaction with multi influence sensors in relevant and realistic scenario's. This paper describes selected results of the comparison results of sea trials and model calculations of the hydrodynamic...
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Sodium alginate decreases the permeability of intestinal mucus
PublikacjaIn the small intestine the nature of the environment leads to a highly heterogeneous mucus layer primarily composed of the MUC2 mucin. We set out to investigate whether the soluble dietary fibre sodium alginate could alter the permeability of the mucus layer. The alginate was shown to freely diffuse into the mucus and to have minimal effect on the bulk rheology when added at concentrations below 0.1%. Despite this lack of interaction...
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An advanced Thermal-FSI approach to flow heating/cooling
PublikacjaActually, two-way thermal-energy exchange between working fluid and solid material of a casing is a leading problem for modern – semi automatic – design techniques. Many questions should be solved, especially, the turbulent mode of thermal energy transport both in fluid and solid, should be re-examined and reformulated from the primary principles. In the present paper, a group of researchers from Energy Conversion Department of...
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Self-Association of Amphotericin B: Spontaneous Formation of Molecular Structures Responsible for the Toxic Side Effects of the Antibiotic
PublikacjaAmphotericin B (AmB) is a lifesaving antibiotic used to treat deep-seated mycotic infections. Both the pharmaceutical activity and highly toxic side effects of the drug rely on its interaction with biomembranes, which is governed by the molecular organization of AmB. In the present work we present detailed analysis of self-assembly of AmB molecules in different environments, interesting from the physiological standpoint, based...
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Profiling of polar ionogenic metabolites in Polish wines by capillary electrophoresis-mass spectrometry
PublikacjaThe composition of wine is determined by a complex interaction between environmental factors, genetic factors (i.e., grape varieties), and winemaking practices (including technology and storage). Metabolomics using NMR spec-troscopy, GC-MS, and/or LC-MS has shown to be a useful approach for assessing the origin, authenticity, and quality of various wines. Nonetheless, the use of additional analytical techniques with complementary...
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Removal of nonsteroidal anti-inflammatory drugs and analgesics from wastewater by adsorption on cross-linked β-cyclodextrin
PublikacjaWe present a method using the material in the form of cross-linked β-cyclodextrin (CD) showing high efficiency in the simultaneous removal of hazardous pollutants from sewage, such as diclofenac (DIC), ibuprofen (IBU), ketoprofen (KETO), naproxen (NAPR), salicylic acid (SALI) and tramadol (TRAM). The material is stable and particularly easy to regenerate. The sorbent probably remembers the shape of the contaminants, which increases...
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Export diversification and dependence on natural resources
PublikacjaLow export diversification is a risk-augmenting factor for many countries dependent on natural resources. The literature tends to focus on the growth effects of resource dependence (‘resource curse’ debate) while not much is known on how it affects the variety of non-resource exports. To quantify this effect we decompose the relative Theil index using product-level export data from 160 countries over the time period 1996–2018....
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A Comprehensive Review of Phytonutrients as a Dietary Therapy for Obesity
PublikacjaObesity is a complex medical condition mainly caused by eating habits, genetics, lifestyle, and medicine. The present study deals with traditional diets like the Mediterranean diet, Nordic diet, African Heritage diet, Asian diet, and DASH, as these are considered to be sustainable diets for curing obesity. However, the bioavailability of phytonutrients consumed in the diet may vary, depending on several factors such as digestion...
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Dynamic Execution of Engineering Processes in Cyber-Physical Systems of Systems Toolchains
PublikacjaEngineering tools support the process of creating, operating, maintaining, and evolving systems throughout their lifecycle. Toolchains are sequences of tools that build on each others' output during this procedure. The complete chain of tools itself may not even be recognized by the humans who utilize them, people may just recognize the right tool being used at the right place in time. Modern engineering processes, however, do...
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Chemical composition, antioxidant and anticancer effects of the seeds and leaves and indigo (polygonum tinctorium Ait.) Plant
PublikacjaSeeds and leaves of indigo (Polygonum tinctorium Ait.) plant were investigated and compared with another medicinal plant named prolipid for their properties such as chemical composition, antioxidant, and anticancer effects by Fourier transform infrared, three-dimensional fluorescence spectroscopy, and electrospray ionization-MS in negative mode. It was found that polyphenols, flavonoids, and flavanols were significantly higher...
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Virtual Whiteboard: A gesture-controlled pen-free tool emulating school whiteboard
PublikacjaIn the paper the so-called Virtual Whiteboard is presented which may be an alternative solution for modern electronic whiteboards based on electronic pens and sensors. The presented tool enables the user to write, draw and handle whiteboard contents using his/her hands only. An additional equipment such as infrared diodes, infrared cameras or cyber gloves is not needed. The user's interaction with the Virtual Whiteboard computer...
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Chitin and derivative chitosan-based structures — Preparation strategies aided by deep eutectic solvents: A review
PublikacjaThe high molecular weight of chitin, as a biopolymer, challenges its extraction due to its insolubility in the solvents. Also, chitosan, as the N-deacetylated form of chitin, can be employed as a primary material for different industries. The low mechanical stability and poor plasticity of chitosan films, as a result of incompatible interaction between chitosan and the used solvent, have limited its industrialization. Deep eutectic...
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CyberEye: New Eye-Tracking Interfaces for Assessment and Modulation of Cognitive Functions beyond the Brain
PublikacjaThe emergence of innovative neurotechnologies in global brain projects has accelerated research and clinical applications of BCIs beyond sensory and motor functions. Both invasive and noninvasive sensors are developed to interface with cognitive functions engaged in thinking, communication, or remembering. The detection of eye movements by a camera offers a particularly attractive external sensor for computer interfaces to monitor,...
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On dynamic modeling of piezomagnetic/flexomagnetic microstructures based on Lord–Shulman thermoelastic model
PublikacjaWe study a time-dependent thermoelastic coupling within free vibrations of piezomagnetic (PM) microbeams considering the flexomagnetic (FM) phenomenon. The flexomagneticity relates to a magnetic field with a gradient of strains. Here, we use the generalized thermoelasticity theory of Lord–Shulman to analyze the interaction between elastic deformation and thermal conductivity. The uniform magnetic field is permeated in line with...
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HCI-Based Wireless System for Measuring the Concentration of Mining Machinery and Equipment Operators
PublikacjaMaintaining stable and reliable working conditions is a matter of vital importance for various companies, especially those involving heavy machinery. Due to human exhaustion, as well as unpredicted hazards and dangerous situations, the personnel has to take actions and wisely plan each move. This paper presents a human–computer interaction (HCI)-based system that uses a concentration level measurement function to increase the safety...
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A first-principles study of electronic and magnetic properties of 4d transition metals doped in Wurtzite GaN for spintronics applications
PublikacjaWe studied the electronic and magnetic properties of wurtzite GaN (w-GaN) doped with different concentrations of the 4d transition metal ions Nb, Mo, and Ru. We incorporated spin-polarized plane-wave density functional theory within an ultrasoft pseudopotential formalism. The 4d transition metals were doped at different geometrical sites to determine the geometry with the lowest total energy and the one that induced the largest...
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublikacjaThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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The new diphosphanylphosphido complexes of tungsten(VI) and molybdenum(VI). Their synthesis, structures and properties
PublikacjaWe report on the reactivity of R2P–P(Li)–PR’2 (R = tBu, iPr, R’ = NEt2, iPr) towards diimido complexes [(dippN)2MCl2·dme] (M = Mo, W and dipp = 2,6-iPr2C6H3). A series of new complexes with diphosphanylphosphido ligands R2P–P–PR’2 were isolated. The solid-state structures of [(dippN)2M(Cl)(1,2-η-iPr2P–P– PiPr2)] (2Mo and 2W) and [(dippN)2M(Cl){1,2-η-tBu2P–P–P(NEt2)2}] (3Mo and 3W) were established by single-crystal X-ray diffraction...
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Solvent Impact on the Diversity of Products in the Reaction of Lithium Diphenylphosphide and a Ti(III) Complex Supported by a tBu2P–P(SiMe3) Ligand
PublikacjaWe present two important trends in the reactivity ofthe titanium complex [MeNacNacTi(Cl){η2-P(SiMe3)-PtBu2}](MeNacNac− = [Ar]NC(Me)CHC(Me)N[Ar]; Ar = 2,6-iPr2Ph)with nucleophilic reagents RLi (R = Ph2P,tBuO, (Me3Si)2N, andtBu2N) depending on the reaction medium. Reaction in nonpolarsolvent (toluene) leads to three main products: via an autoredoxprocess and nucleophilic substitution at the Ti-atom to afford theTi(IV) complex [MeNacNacTi(R){η2-P-PtBu2}]...
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Crystal and electronic structures of Ni(II) silanethiolates containing flexible diamine ligands
PublikacjaFive nickel(II) complexes containing aliphatic diamines and tri-tert-butoxysilanethiolate ligand have been synthesized for the purpose of studying their structural, spectral (IR, UV–Vis, HF EPR) and thermal properties. Complexes (1)–(5) have been prepared in high yield by reactions of [Ni{SSi(OtBu)3}2(NH3)(H2O)] with 1.3-propanediamine (L1), 1,6-hexanediamine (L2), or 1,7-heptanediamine (L3). The X-ray structures were determined...
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Copper(I) iodide ribbons coordinated with thiourea derivatives
PublikacjaTwo products of the reactions of CuI with 1-benzoyl-3-(4-bromophenyl)thiourea and with 1-benzoyl-3-(2-iodophenyl)thiourea have been obtained and characterized, namely poly[[[1-benzoyl-3-(4-bromophenyl)thiourea-κS]-µ3-iodidocopper(I)] acetone hemisolvate], {[CuI(C₁₄H₁₁BrN₂OS)]‧0.5C₃H₆O}ₙ, and poly-[µ₄-iodido-µ₃-iodido-[N-(benzo[d]thiazol-2-yl)benzamide-κN]dicopper(I)], [Cu₂I₂(C₁₄H₁₀N₂OS)]ₙ. Their structures, determined by single-crystal...
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Ranking of Heterogeneous Catalysts Metals by Their Greenness
PublikacjaCatalysis is very important process in industry and laboratory practice, especially from the point of green chemistry principles. However, eco-friendly character of heterogeneous catalysts, containing transition metal components has not been evaluated, yet. Therefore, we perform a comprehensive assessment of 18 heterogeneous metal catalysts (Pd, Pt, V, Co, Ni, Mo, Ru, Mn, Au, Cu, Cd, Zr, Fe, Rh, Ir, Sn, Zn, Ag) using multicriteria...
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Charge Distribution and Hyperfine Interactions in GdBa2Cu3O7 from First Principles
PublikacjaW rozdziale przedstawiono wyniki obliczeń "z zasad pierwszych" (''ab initio'') struktury elektronowej, rozkładu ładunku i struktury nadsubtelnej, w szczególności gradientu pola elektrycznego (EFG) i składnika kontaktowego pola nadsubtelnego (HFF), nadprzewodnika wysokotemperaturowego o wzorze GdBa2Cu3O7 (Gd123). Do obliczeń wykorzystano metodę FP-LAPW (full-potential linearized augmented plane wave). Efekty związane z oddziaływaniami...