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Wyniki wyszukiwania dla: metal cation complexation
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Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms
PublikacjaThe multi-mode multi-state vibronic interactions in the set of X^2B_1 - D^2A_1 electronic states of the monofluoro benzene radical cation are investigated theoretically, based on a quadratic vibronic coupling approach. The underlying ionization potentials and coupling constants are obtained from ab initio coupled-cluster calculations. Previous investigations (relying on the linear coupling approach) are extended by including all...
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Jahn-Teller and related conical intersections in the benzene radical cation and the monofluoro derivate
PublikacjaThe multi-state multi-mode vibronic interactions in the benzene radical cation and its monofluoro derivative have been investigated theoretically, based on high-level electronic structure calculations for the system parameters and a quantum treatment of the nuclear motion. The available experimental data are well reproduced. The interplay of different vibronic coupling mechanisms is pointed out leading to multiple nonadiabatic...
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The degradation of metal implants
PublikacjaThe presence of metal implants in the human body causes some dangers, which result from introducing another object into organism. There may occur a biocorrosion, which causes different modifications of implant surface.
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Site-selective cation–π interaction as a way of selective recognition of the caesium cation using sumanene-functionalized ferrocenes
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Formation of OH Radicals as Evidence of Intramolecular Hydrogen Migration in Cation-Induced Dissociation of Furan Molecules
PublikacjaWe present the experimental results on a hydrogen atom migration preceding fragmentation of the furan molecules induced by the H3+ and C+ impact. The excited OH(A2Σ+) radical has been detected among the furan decomposition products using collision-induced emission spectroscopy. However, the OH moiety is absent in the furan ring skeleton, so detecting the OH(A2Σ+→X2Π) luminescence indicates the intramolecular H atom relocation prior...
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Phosphoroorganic Metal Complexes in Therapeutics
PublikacjaThe present mini-review highlights recent developments on antitumor activity of metal-based therapeutics which have been a subject of researches for the last few decades. In 1965, Rosenberg found that during an electrolysis on platinum electrodes a complex of Pt is generated which inhibited to a great extent a binary fission in Escherichia coli bacteria. This discovery started a new chapter in medicinal chemistry and the interesting...
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Improvement of opipramol base solubility by complexation with β-cyclodextrin
PublikacjaOpipramol (OPI), a tricyclic antidepressant and anxiolytic compound, is administered orally in the form of a dihydrochloride. Salt form of the drug has a higher solubility in water and hence bioavailability and stability. A similar effect can be achieved by closing the hydrophobic part of the drug molecule in the cyclodextrin cavity. The paper presents opipramol inclusion complexes with beta-cyclodextrin (β-CD) in 1:1 molar ratio....
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Metal nanoparticles-assisted early diagnosis of diseases
PublikacjaEarly diagnosis is essential for the effective illness treatment, but traditional diagnostic approaches inevitably have major downsides. Recent advancements in nanoparticle-based biosensors have created new opportunities for accelerating diagnosis. High surface area, exceptional sensitivity, high specificity, and optical characteristics of metal and metal oxide nanoparticles have made it possible to detect a variety of health conditions...
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Superconductivity in Metal-Rich Chalcogenide Ta2Se
PublikacjaThe metal–metal bond in metal-rich chalcogenide is known to exhibit various structures and interesting physical properties. Ta2Se can be obtained by both arc-melting and solid-state pellet methods. Ta2Se crystallizes a layered tetragonal structure with space group P4/nmm (No. 129; Pearson symbol tP6). Each unit cell consists of four layers of body-centered close-packing Ta atoms sandwiched between two square nets of Se atoms, forming...
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Structure, Physicochemical and Biological Properties of an Aqua (2,2′,2′′-Nitrilotriacetato)-oxidovanadium(IV) Salt with 4-Methylpyridinium Cation
PublikacjaThe crystal structure of a nitrilotriacetate (nta) oxidovanadi-um(IV) salt with 4-methylpyridinium cation, [4-Me(Py)H]+, of [4-Me(Py)H][VO(nta)(H2O)] stoichiometry was determined. The com-plex comprises a discrete mononuclear [VO(nta)(H2O)]–coordinationentity that can be rarely found among other known compounds con-taining nitrilotriacetate oxidovanadium(IV) moieties. The complex wascharacterized by spectroscopic (IR and EPR) methods,...
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In uence of Low-Level Features Extracted from Rhythmic and Harmonic Sections on Music Genre Classi cation
PublikacjaWe present a comprehensive evaluation of the infuence of 'harmonic' and rhythmic sections contained in an audio file on automatic music genre classi cation. The study is performed using the ISMIS database composed of music files, which are represented by vectors of acoustic parameters describing low-level music features. Non-negative Matrix Factorization serves for blind separation of instrument components. Rhythmic components...
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The template synthesis and complexation properties of the methoxypyrogal-lo[4]arene
PublikacjaZaprezentowano metodę syntezy templatowej MPA. Obserwowano kompleksowanie silnych akceptorów elektronów przez MPA. Analiza widm ESI-MS wykazała właściwości kompleksujące w stosunku do kationów metali alkalicznych. Właściwości jonoforowe związku badano w membranowych elektrodach jonoselektywnych.
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Zinc(II) complexation by some biologically relevant pH buffers
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Complexation of Bioelements and Toxic Metals by Polyphenolic Compounds - Implications for Health
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Insulator to correlated metal transition in V1−xMoxO2
PublikacjaDyskutowane jest przejście typu izolatro - metal w domieszkowanym atomami Molibdenu związku V1-xMoxO2. Prezentowany jest diagram fazowy.
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Electrical Transport and Magnetic Properties of Metal/Metal Oxide/Metal Junctions Based on Anodized Metal Oxides
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Electrical Transport and Magnetic Properties of Metal/Metal Oxide/Metal Junctions Based on Anodized Metal Oxides
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Calixthioamides as ionophores for transition and heavy-metal cations
PublikacjaThere is an increasing interest in applying p-tert-butylcalix[4]arenes as sensing materials in ion-selective electrodes(ISEs). Considerable efforts were made to design calixarenes that are selective for some heavy- or transitionmetal ions to be used in ISEs for controlling and monitoring the level of such pollutants in the environment. It has been reported that introduction of softer sulfur atoms instead of oxygen atoms in calix[4]arene...
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Helicity Discrimination in Diaryl Dichalcogenides Generateded by Inclusion Complexation with Chiral Hosts
PublikacjaNiektóre z molekuł pozbawione centrum stereogenicznego mogą przyjmować chiralną konformację na skutek wewnętrznej rotacji wzdłuż odpowiedniego wiązania. Do grupy tej należą badane przez nas diarylodichalogenki; diarylodisiarczki, diarylodiselenki i diaryloditellurki. Niska bariera rotacji wokół wiązania chalogen-chalogen skutkuje szybką racemizacją molekuł tych związków w roztworze i uniemożliwia badanie czynności optycznej. Wykazaliśmy,...
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Kinetic studies of complexation reaction of polyoxaalkyl phosphates with Fe(III) in ethanol
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Studies on the charge density distribution in p-substituted phenylnitrenium cation
PublikacjaAniline and its derivatives are known to be mutagenic. This activity is caused by the formation of phenylnitrenium cations during aniline oxidation. Reactivity of the positively charged chemical species can be measured by means of s+ substituent constant. In this paper charge density distribution in p-substituted nitrenium cations and reactivity indices such as, hardness η, electronegativity χ , and electrophilicily ω were analyzed....
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Separation of effluents from regeneration of a cation exchanger by membrane distillation
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Cation diffusion coefficients in CuAgI via molecular dynamics simulations
PublikacjaPraca prezentuje wyniki analizy strukturalnej otrzymane poprzez symulacje dynamiczno-molekularne (zespół NpT, dwuciałowy potencjał Vashisty-Rahmana) superjonowego związku o składzie (1-x)Cu-xAg-I, x = 0.0, 0.25, 0.5, 0.75, 1.0). Wyznaczono wartość współczynnika dyfuzji kationów i energii aktywacji w funkcji składu szkła i temperatury. Otrzymane rezultaty porównano z danymi literaturowymi.
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NOBLE METAL MODIFIED TiO2 FOR PHOTOCATALYTIC AIR PURIFICATION
PublikacjaTiO2 was surface modified with silver, gold, palladium and platinum ion clusters to improve its photocatalytic activity. The effect of metal content, the kind of dopant used during preparation procedure on the photoactivity were investigated. in toluene removal which was used as a model volatile organic compound. Toluene, at the concentration of about 100 ppm, was irradiated over noble metal modified TiO2 using light-emitting diodes...
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Studies of the mechanism of metal metal dusting of 10CrMo9-10 steel after 10 years of operation in trhe semi-regenerative catalytic reformer
PublikacjaThe study showed that metal dusting mechanism of 10CrMo9-10 steel operated in industrial environment differs from models developed in laboratories. Significant differences lie in the fact that the models developed in laboratories only assume the formation of metastable carbide M3C, while studies have shown that the formation of M3C carbides is associated with the transformation of primary carbides and in the next stage is preceded...
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Membranes for toxic- and heavy-metal removal
PublikacjaSince time ago, membranes have greatly attracted the attention of researchers for different types of water-treatment applications, such as wastewater treatment, water purification, removal of microorganisms, chemical compounds, and heavy metals. Nowadays, one of the current challenges of research community definitely deals with the removal of toxic and heavy metals from water. In this regard, the current chapter provides enough...
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Assessment of hydrogenation of deposited metal of P 62 MR covered electrodes
PublikacjaThe determination of diffusible hydrogen content in deposited metal of P 62 MR covered electrodes for manual metal arc welding by mercury method was carried out. The test results indicate that covered electrodes 62 P MR grade generate a mean of 4.02 ml/100g of diffusible hydrogen in deposited metal, which is consistent with H5 class.
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Theoretical interpretations of photoelectron spectra of platinum atom, its cation and anion
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The Effect of Welding Conditions on Diffusible Hydrogen Content in Deposited Metal
PublikacjaThe article presents the results of a literature survey and preliminary tests which set out effects of welding conditions on the amount of diffusible hydrogen in deposited metal. Experiments were conducted by using rutile coated electrodes which generate high contents of diffusible hydrogen in deposited metal. The amount of diffusible hydrogen was determined by a glycerin test.Eleven factors were considered: the electrode angle,...
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Metal-Organic Framework (MOF)/Epoxy Coatings: A Review
PublikacjaEpoxy coatings are developing fast in order to meet the requirements of advanced materials and systems. Progress in nanomaterial science and technology has opened a new era of engineering for tailoring the bulk and surface properties of organic coatings, e.g., adhesion to the substrate, anti-corrosion, mechanical, flame-retardant, and self-healing characteristics. Metal-organic frameworks (MOFs), a subclass of coordinative polymers...
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Mixed conductivity in tungstenite-phosphate glasses containing alkali metal ions
PublikacjaThe conductivity of glasses in the 50WO3-(50-x)P2O5-xA2O (A = Na, K, Cs) system has been investigated as a function of composition. It is shown that in tungstenite-phosphate glasses containing different alkali metal ions the conductivity decreases with an increase in the alkali metal ion content. A decrease in conductivity is larger for heavier ions and reaches more than seven orders of magnitude in the case of glass containing...
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Nanostructure of the laser-modified transition metal nanocomposites for water splitting
PublikacjaAlthough hydrogen is considered by many to be the green fuel of the future, nowadays it is primarily produced through steam reforming, which is a process far from ecological. Therefore, emphasis is being put on the development of electrodes capable of the efficient production of hydrogen and oxygen from water. To make the green alternative possible, the solution should be cost-efficient and well processable, generating less waste...
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A Low-Profile Metal-backed Dipole Loaded with Closely Coupled Arc-shaped Open Stubs for On-metal Tag Design with Wide Frequency Tuning Capability
PublikacjaThis research has presented a single-layer metal-backed dipole antenna, which consists of a feedline loaded with two pairs of closely-coupled arc-shaped open stubs, for designing a metal-mountable tag that features tuning capability over a wide range of frequency. Here, the stubs can generate sufficient inductive reactance for bringing down the tag resonant frequency tunable in both the regulated UHF RFID passbands (North American...
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Optical activity of the guest azobenzene molecule generated by inclusion complexation with steroidal bile acids.
PublikacjaZsyntetyzowano krystaliczne kompleksy inkluzyjne azobenzenu z kwasami cholowym i deoksycholowym. Otrzymane związki inkluzyjne poddano badaniom przy wykorzystaniu spektroskopii dichroizmu kołowego w fazie stałej (KBr). Dodatni efekt Cottona, odpowiadający niskoenergetycznemu przejściu elektronowemu n-pi*, skorelowano z helikalnością M,M skręconej cząsteczki azobenzenu. Ponadto w celach porównawczych zmierzono dichroizm kołowy w...
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Optical activity of benzophenone and thiobenzophenone generated by spontaneous crystallization and inclusion complexation with cholic acid.
PublikacjaOtrzymano związki inkluzyjne benzofenonu i jego tioanalogu z kwasem cholowym. W zależności od stosowanej metody syntezy kompleksów inkluzyjnych benzofenonu powstawały one w dwóch różnych postaciach polimorficznych. Jedna z nich wykazuje istnienie cząsteczek gościa w czterech konformacjach, przy czym dominuje konformer o helikalności M. Struktura krystalograficzna kompleksu tiobenzofenonu z kwasem cholowym ujawniła obecność tylko...
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Studies on the complex formation between lactams and thiolactams of sparteine with copper(II) cation
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Synthesis, crystal structure and electrical properties of A-site cation ordered BaErMn2O5 and BaErMn2O6
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Recent advancements in molecularly imprinted polymers for the removal of heavy metal ions and dyes
PublikacjaContamination set off by highly toxic metal ions and dyes is a big threat to the environment and living beings. Various industries like metal plating, mining, pesticides, battery manufacturing, and dyeing release metal ions and toxic dyes directly into the water. It is necessary to remove these toxic substances from the environment. Molecular imprinting technology (MIT) got a lot of attention in the last two decades because of...
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Application of 3D printing metal powder technology in the manufacture of components with complex geometries
PublikacjaThe possibilities of using 3D printing powder technologies for making objects with complex geometries were presented. For this purpose, selected examples of elements with different geometries were used, which were built using metal powder methods – DMLS (direct metal laser sintering) / SLM (selective laser melting). Simultaneously, the indicated elements concern those areas of industry where 3D printing technology has been widely...
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Lightweight glass and metal roof structures in the 19th century. Architecture and construction.
PublikacjaThe 19th century brought new construction possibilities. The usage of metal elements in mesh structures, filled in with glass, resulted in creating entirely new types of objects. They have distinguished themselves in architecture and technical solutions. The envelope structures giving spatial interiors were arising very quickly. They have been enabling large light penetration, triggering them extremely bright. Thus these building...
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Mitigating metal-organic framework (MOF) toxicity for biomedical applications
PublikacjaMetal-organic frameworks (MOFs) are a novel class of crystalline porous materials, consisting of metal ions and organic linkers. These hybrid materials are highly porous and have a large specific surface area, making them of great interest for applications in gas separation, energy storage, biomedical imaging, and drug delivery. As MOFs are being explored for biomedical applications, it is essential to comprehensively assess their...
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Effect of underwater wet welding conditions on the diffusible hydrogen content in deposited metal
PublikacjaIn the study mercury displacement method was used for determination of diffusible hydrogen amount in deposited metal obtained during underwater wet welding with covered electrodes in laboratory conditions according to a two-level full factorial design for three factors. The factors and their levels were chosen among conditions and parameters of welding in accordance with the results of own preliminary studies. A statistical analysis...
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Influence of sludge treatment processes on heavy metal speciation
PublikacjaSludge composition is depending on sewage quality and also affected by processing methods such as thickening, stabilization and dewatering. During those processes some of sludge's undesirable properties might be reduced or enhanced.The objective of the study is the assessment of the influence of sludge processing on selected heavy metals partitioning between phases (aqueous and particle) and sludge. Sludge from the WWTP in Gdansk...
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Experimental investigation and process parameter optimization of sheet metal bending by line heating method
PublikacjaThe present study is concerned with the experimental investigation of sheet metal deforming by line heating method that incorporates the combined effect of traverse speed of the torch, thickness of the sheet metal, and the number of passes of the torch. For the numerical analysis of metal bending by line heating, the
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Bioaccumulation of metals in tissues of marine animals, Part II - metal concentrations in animal tissues
PublikacjaThe bioaccumulation of metals in an animal depends on a multitude of factors: biotic ones, like its body dimensions and mass, age, sex, diet, metabolism and position in the trophic web, as well as abiotic ones such as the distribution of metals in its environment, the salinity, temperature and pH of the water, habitat type, interactions with other metals. But it is diet that has the greatest influence on the accumulation of metals...
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Low dark current metal-semiconductor-metal photodetectors fabricated on GaN
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The 15th Workshop on Progress in Trace Metal Speciation for Environmental Analytical Chemistry
PublikacjaArtykuł jest sprawozdaniem z konferencji TRACESPEC - the 15th Workshop on progress in trace Metal Speciation for Environmental Analytical Chemistry, ktora odbyla sie we wrzesniu 2016 na Politechnice Gdańskiej. W artykule przedstawiono głowne cele i załozenia konferencji oraz opisano program naukowy.
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Buckling analyses of cylindrical metal silos containing bulk solids
PublikacjaThe paper presents quasi-static 3D buckling analysis results of thin-walled cylindrical metal silos with and without bulk solids. The behaviour of the bulk solid was described with a hypoplastic constitutive model. Non-linear analyses with geometric and material non-linearity were performed with a perfect and an imperfect silo shell. Different initial geometric imperfections were considered. The influence of internally stored bulk...
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Diffusible hydrogen content in deposited metal of multilayer welded joints
PublikacjaThe article describes manufacturing technology of multilayer joints in terms of control the diffusible hydrogen content. Diffusible hydrogen content in deposited metal for multilayer welded joints made of covered rutile electrodes or covered cellulosic and basic electrodes was determined. It was found that after four beads, the diffusible hydrogen content decreases in the case of the first technology from 36 ml/100 g to 18 ml/100...
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Positron binding to alkali-metal hydrides: The role of molecular vibrations
PublikacjaThe bound vibrational levels for J=0 have been computed for the series of alkali-metal hydride molecules from LiH to RbH, including NaH and KH. For all four molecules the corresponding potential-energy curves have been obtained for each isolated species and for its positron-bound complex (e+XH). It is found that the calculated positron affinity values strongly depend on the molecular vibrational state for which they are obtained...