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Search results for: TRANSITION METAL COMPLEXES
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Surpassing the Line: Urban-Oriented Strategies in the Development of Business Complexes in Poland
PublicationDevelopment trends regarding the business-related urban complexes seem to evolve from the “big-box” towards the more “multi-use” types of structures. Within it, the special role is reserved for places, which—due to economic, political, and geographical reasons—have not been previously considered as major business hubs. Only recently, places like cities in Central and Eastern Europe have become attractive locations for business...
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Phase transition of a dimorphic fungus Penicillium marneffei
PublicationPenicillium marneffei is a pathogenic fungus that afflicts immunocompromised individuals who live or travel in Southeast Asia. This species is unique, because it is the only dimorphic member of the genus Penicillium. Dimorphism results from a process, termed phase transition, which is regulated by temperature of incubation. At room temperature, the fungus grows filamentously (mould phase), but at body temperature (37°C), a uninucleate...
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GROWTH AND STRUCTURAL CHANGES IN TRANSITION COUNTRIES: THE CHICKEN OR THE EGG?
PublicationThe objective of this study is to test empirically the relationship between structural changes (changes in gross value added and employment) and economic growth. We used a panel Granger-causality analysis based on annual data for eight transition countries, covering the period 1995–2011. The main finding is that the causality relations analysed are heterogeneous processes and are identified more often...
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Similarities and differences in d6 low-spin ruthenium, rhodium and iridium half-sandwich complexes: synthesis, structure, cytotoxicity and interaction with biological targets
PublicationIn this paper, we discussed the similarities and diferences in d6 low-spin half-sandwich ruthenium, rhodium and iridium complexes containing 2,2′-biimidazole (H2biim). Three new complexes, {[RuCl(H2biim)(η6 -p-cymene)]PF6}2·H2O (1), [(η5 - Cp)RhCl(H2biim)]PF6 (2), and [(η5 -Cp)IrCl(H2biim)]PF6 (3), were fully characterized by CHN, X-ray difraction analysis, UV–Vis, FTIR, and 1 H, 13C and 15N NMR spectroscopies. The complexes exhibit...
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Charge transfer and formation of complexes in the He+ collisions with the furan molecules
PublicationCharge transfer and formation of the collision complexes have been studied experimentally in fragmentation of the furan molecules in collisions with He+ cations. The excited atomic and diatomic fragments of furan have been identified using collision-induced luminescence spectroscopy. Charge transfer ionization of the furan molecules has been observed in production of helium atoms in the excited 1s4d 1D2, 3D1,2,3 states. The fragmentation...
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Global energy transition: From the main determinants to economic challenges regions
PublicationDynamic global energy transition has been accelerating for the last decade. Interestingly, the energy transition is multidimensional and concerns both the dimensions of technique/ technology and the economic, social, institu-tional, and legal spheres (Shuguang et al., 2022; Tzeremes et al., 2022; Ram-zan et al., 2022; Tzeremes et al., 2022). The literature also points to the signif-icant impact of the digitization of the global...
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Transition curve with smoothed curvature at its ends for railway roads
PublicationIn the paper, in view of a railway ballasted track, a new concept of transition curve of linear form of curvature along its length and smoothed extreme regions is presented. For this purpose use has been made of an original, universal method for identifying transition curves by means of differential equations. Some general curvature equations for three regions investigated have been determined to be followed by appropriate parametric...
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Styrene epoxidation over heterogeneous manganese(III) complexes
PublicationThe manganes(III) complex functionalised with 2,3-dihydropyridazine has been encapsulated in the supercages of the NaY zeolite using two different procedures, flexible ligand and in situ complex. The parent zeolite and the encapsulated manganese(III) complexes were screened as catalysts for styrene oxidation by using t-BOOH as the oxygen source in acetonitrile. Under the optimized conditions, the catalysts exhibited moderate activity...
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Metal nanoparticles-assisted early diagnosis of diseases
PublicationEarly 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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Local properties of organic coatings close to glass transition temperature
PublicationAcrylic coating applied on copper substrate has been investigated at different temperatures starting from the ambient one up to the level above the glass transition temperature. Its local topographic and electric properties have been examined with the atomic force microscopy (AFM) based approach including dc current mapping and local impedance spectroscopy. The local findings have been compared with the information from global...
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Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment
PublicationWe present the results for CAPRI Round 54, the 5th joint CASP-CAPRI protein assembly prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo-trimers, 13 heterodimers including 3 antibody–antigen complexes, and 7 large assemblies. On average 70 CASP and CAPRI predictor groups, including more than 20 automatics servers, submitted models for each target. A total of 21 941 models submitted by these groups...
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Silver(I) complexes with nitrile ligands: New materials with versatile applications
PublicationIn the present study, the structure, thermal stability, conductive properties, and antimicrobial activity of silver(I) complexes with nitrile ligands were investigated. For the construction of the materials, 2-cyanopyridine (2-cpy), 4-cyanopyridine (4-cpy), 1,2-dicyanobenzene (1,2-dcb), and 1,3-dicyanobenzene (1,3-dcb) were used in addition to the silver nitrite and nitrate. Four new compounds were isolated and structurally characterized:...
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Syntheses, Structures and Reactivity of Terminal Phosphido Complexes of Iron(II) Supported by a β-Diketiminato Ligand
PublicationWe report the synthesis of the first series of terminal phosphido iron complexes supported by a β‐diketiminato ligand (Dippnacnac) and their catalytic activity in dehydrocoupling of secondary phosphines. Anionic and neutral mono‐ or diphosphido complexes were obtained from the reaction of [(Dippnacnac)FeCl2Li(dme)2] with the R2PLi (R = iPr, tBu, Cy, Ph) phosphides by tuning the stoichiometric ratio, polarity of the solvent, and...
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Ionic thermoelectric effect in Cu2-δSe during phase transition
PublicationThe ionic Seebeck coefficient was studied in copper selenide with Cu1.99Se, Cu1.95Se and Cu1.8Se stoichiometry which was synthesized with a melt crystallization method. To measure the ionic Seebeck coefficient of copper ions, 0.15C6H12N4CH3I + 0.85CuI solid-state electrolyte was prepared. Electrolyte layers were pressed with copper selenide powder into a sandwich-like structure. At the temperature of 410 K, the materials have ionic...
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Probing the Magnetic Anisotropy of Co(II) Complexes Featuring Redox-Active Ligands
PublicationCoordination complexes that possess large magnetic anisotropy (otherwise known as zero-field splitting, ZFS) have possible applications in the field of magnetic materials, including single molecule magnets (SMMs). Previous studies have explored the role of coordination number and geometry in controlling the magnetic anisotropy and SMM behavior of high-spin (S = 3/2) Co(II) complexes. Building upon these efforts, the present work...
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Exploring novel Cd(ii) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology
PublicationA series of four Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde (L) with different inorganic anions within or outside the coordination sphere of general formula: [CdCl2 L2 ] (1), [CdBr2 L 2] (2), [CdI2L 2] (3), and [CdL4 ](PF6 )2 ·3H2 O (4) was synthesized through one-step and two-step reactions, respectively. All complexes were obtained as colorless crystals without the need for recrystallization and exhibited solubi- lity...
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Group 11 complexes with a phosphanylphosphaalkene ligand: preparation and stability study
PublicationThe reactivities of two selected phosphanylphosphaalkenes, Ph2C=P-PtBu2 (1a) and (p-MeO-Ph)2C=P-PtBu2 (1b), toward CuCl, AgCl and (tht)AuCl (tht = tetrahydrothiophene) were investigated. As a result, new phosphanylphosphaalkene dimeric and monomeric complexes were formed (Cu and Ag dimeric and Au monomeric). All obtained products were air and moisture stable and light insensitive.
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Anticancer Study on IrIII and RhIII Half-Sandwich Complexes with the Bipyridylsulfonamide Ligand
PublicationTwo non-platinum compounds, organometallic half-sandwich complexes [(η 5 -Cp)IrCl(L)]PF 6 (1) and [(η 5 -Cp)RhCl(L)]PF 6 (2) were prepared by treating pentamethylcyclopentadienyl chloride dimers of iridium(III) or rhodium(III) with the obtained 4-amino-N-(2,2'-bipyridin-5- yl)benzenesulfonamide ligand (L) and ammonium hexafluorophosphate. The crystal structures of ligand (L) and complexes 1 and 2 were obtained and then analyzed. Coordination...
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On the fast BSS transition algorithms in the IEEE 802.11r local area wireless networks
PublicationHandover performance is critical to support multimedia services that are becoming increasingly available over the wireless devices. The high transition delay can be unaccepted for such services or can be a source of disruption on the session. On the other side, IEEE 802.11 standard is being extended with new functionalities. Security and QoS features, included in recent IEEE 802.11-2007 standard, add management frames that are...
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Formation of polyphosphorus ligands mediated by zirconium and hafnium complexes
PublicationThe reactions of R2P–P(SiMe3)Li (R = tBu, iPr, iPr2N) with [Cp2MCl2] (M = Zr, Hf), [Cp∗CpZrCl2] and [CpZrCl3] yielded polyphosphorus (mainly hexaphosphorus) compounds which can be viewed as intermediates between R2P–P(SiMe3)Li and derivatives of 1,2,3,4-tetraphosphabicyclo[1.1.0] butane. Thus R2P–P(SiMe3)Li can act as a building block for the formation of the P2 ligand and the R2P–P(P2) and R2P–P(P2)P–PR2 moieties. Solid state...
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Heteroleptic tri-tert-butoxysilanethiolate complexes of manganese(II) - thermal studies
PublicationThe thermal behavior of Mn(II) silanethiolate series [Mn(SR)2L(MeOH)n], where R=SSi(OBut)3, L=heterocyclic nitrogen base and n=0, 1 or 2 has been comparatively investigated using differential scanning calorimetry (DSC), thermogravimetry (TG) and TG-infrared spectoscopy (IR) techniques. The TG curves indicate the differences in the thermal decomposition due to presence of distinct N-donor ligands and labile MeOH molecules coordinated...
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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublicationWe report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s ^2S_{1/2}) + Rb(7s ^2S_{1/2}) atomic limit. Several new features...
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublicationAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Structural analysis and physico-chemical characterization of mononuclear manganese(II) and polynuclear copper(II) complexes with pyridine-based alcohol
PublicationTwo novel manganese(II) and copper(II) complexes, mononuclear [Mn(H2O)2(2-(CH2)2OHpy)2](NO3)2 (1) and polynuclear [Cu(SO4)(2-(CH2)2OHpy)2]n (2), based on 2-(hydroxyethyl)pyridine (2-(CH2)2OHpy) were synthesised and fully characterised using X-ray structure analysis as well as spectroscopic, magnetic and thermal methods. Both central metal ions Mn(1) and Cu(1) are coordinated by two N,O-donor 2-(CH2)2OHpy ligands and possess an...
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Silver complexes stabilized by large silanethiolate ligands – crystal structures and luminescence properties
PublicationBulky silanethiolate and disiladithiolate ligands were applied to synthesize one mononuclear and three trinuclear silver complexes including two cyclic “microclusters” and a linear tri-nuclear silanethiolate complex. All obtained compounds are characterized by X-ray diffraction and FT-IR. NMR and emission spectroscopies were used where possible. The first trinuclear anionic silver thiolate is structurally characterized. The influence...
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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublicationWe present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)3]2+ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization...
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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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First Copper(I) and Silver(I) Complexes Containing Phosphanylphosphido Ligands
PublicationThree new complexes with phosphanylphosphido ligands, [Cu4{μ2-P(SiMe3)-PtBu}4](1), [Ag4{μ2-P(SiMe3)-PtBu2}4](2) and [Cu{η1-P(SiMe3)-PiPr2}2]–[Li(Diglyme)2] (3) were synthesized and structurally characterized by X-ray diffraction, NMR spectroscopy, and elemental analysis. Complexes 1 and 2 were obtained in the reactionsof lithium derivative of diphosphane tBu2P-P(SiMe3)Li·2.7THF withCuCl and [iBu3PAgCl]4, respectively....
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Mathematical modeling and prediction of pit to crack transition under cyclic thermal load using artificial neural network
PublicationThe formation of pitting is a major problem in most metals, which is caused by extremely localized corrosion that creates small holes in metal and subsequently, it changes into cracks under mechanical load, thermo-mechanical stress, and corrosion process factors. This research aims to study pit to crack transition phenomenon of steel boiler heat tubes under cyclic thermal load, and mathematical modeling...
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Synthesis, Characterization and Biological Investigations of Half-Sandwich Ruthenium(II) Complexes Containing Benzimidazole Moiety
PublicationHalf-sandwich Ru(II) complexes belong to group of biologically active metallo-compounds with promising antimicrobial and anticancer activity. Herein, we report the synthesis and characteri- zation of arene ruthenium complexes containing benzimidazole moiety, namely, [(η6-p-cymene)RuC l(bimCOO)] (1) and [(η6-p-cymene)RuCl2(bim)] (2) (where bimCOO = benzimidazole-2-carboxylate and bim = 1-H-benzimidazole). The compounds were characterized...
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Syntheses and structures of the first terminal phosphanylphosphido complexes of molybdenum(IV)
PublicationThe reactions of R2P-P(SiMe3)Li (R = tBu, iPr2N) with [Cp2MoCl2] yield terminal phosphanylphosphido complexes formally via the insertion of the phosphinidene P-atom into the C - H bond of a cyclopentadienyl ring and the migration of the hydrogen atom or SiMe3 moiety to the molybdenum centre. Solid state structures of [Cp(C5H4P-PtBu2)MoH], [Cp(C5H4P-PtBu2)Mo(SiMe3)] and [Cp{C5H4P-P(NiPr2)2}Mo(SiMe3)] were established by single crystal...
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Experimental comparison of the transition speed of a hydrodynamic journal bearing lubricated with oil and magnetorheological fluid
PublicationA journal bearing test bench is used to find the transition speed between the hydrodynamic and mixed lubrication regimes for a modified magnetorheological (MR) fluid. It is shown that the transition speed of the bearing can be reduced by applying a local magnetic field near minimum film when it is lubricated with the MR fluid, and that this will only marginally increase friction. The lubricating performance of the MR fluid is compared...
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Assestment of the anti-cancer activity of the copper complexes with imidazole and pivalato ligands
PublicationDespite the development of science and technology progress so far there have not been found effective drugs for cancer. Many coordination compounds were investigated due to their antitumor potential. The most known cis-diamminedichloroplatinum(II) is used as anti-cancer therapeutic agent. The copper complexes are the coordination compounds possessing anti-tumour properties. Their capability to kill cancer cells is mainly linked...
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Aggregation properties of some zirconium phosphate loaded with dirhenium(III) complexes
PublicationOne of the important areas of modern science is the selection of the right forms of drug delivery. Layered inorganic nanoparticles, such as zirconium phosphate, have proven themselves well in this area. The study of the properties of these systems and methods of their preparation makes it possible to determine a rational technology of their manufacture, storage conditions as well as suggest a possible mechanism of therapeutic action....
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Analytical studies on ascosin, candicidin and levorin multicomponent antifungal antibiotic complexes. The stereostructure of ascosin A2
PublicationIn the class of polyene macrolides, there is a subgroup of aromatic heptaenes, which exhibit the highest antifungal activity within this type of antibiotics. Yet, due to their complex nature, aromatic heptaenes were not extensively studied and their potential as drugs is currently underexploited. Moreover, there are many inconsistencies in the literature regarding the composition and the structures of the individual components...
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Targ Węglowy as the keystone of two ring road complexes of Gdańsk city centre
PublicationThe urban structure of Gdansk city centre is determined by two ring road complexes. The first of them, the Gdansk Ring, has been created as a result of a city defortification at the turn of the 19th and 20th centuries and has been destroyed in the end of World War Two with the rest of Gdansk. The second, the Main Town Green Belt, has been formed in place of the medieval fortification system of the city’s most important historical...
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NOBLE METAL MODIFIED TiO2 FOR PHOTOCATALYTIC AIR PURIFICATION
PublicationTiO2 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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Large magnetoresistance and first-order phase transition in antiferromagnetic single-crystalline EuAg4Sb2
Publicationpresent the results of a thorough investigation of the physical properties of single crystals using magnetization, heat capacity, and electrical resistivity measurements. High-quality single crystals, which crystallize in a trigonal structure with space group , were grown using a conventional flux method. Temperature-dependent magnetization measurements along different crystallographic orientations confirm two antiferromagnetic...
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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
PublicationThe 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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Low-energy electron scattering from molecular hydrogen: Excitation of the X1Σg+ to b3Σu+ transition
PublicationWe present time-of-flight differential cross-section measurements and convergent close-coupling calculations of differential cross sections for the electron-impact excitation of the X 1 g + → b 3 u + transition in molecular hydrogen. A part of this work was recently published [M. Zawadzki et al., Phys. Rev. A 97, 050702(R) (2018)]. In this work, agreement between theory and experiment is excellent overall, and marks a transition...
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Membranes for toxic- and heavy-metal removal
PublicationSince 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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Directions of Energy Transition of Uzbekistan
PublicationThe aim of the paper is to present the changes in the Uzbekistan energy market over the past few years. Uzbekistan is self-sufficient in terms of energy resources, the exploitation of which will last for many years. In 2019, the government adopted the "Concept Note ensuring electricity supply in Uzbekistan in 2020-2030" strategy, which announced the modernization of gas and coal power plants and the construction of new energy facilities,...
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Histaminol and Its Complexes with Copper(II) - Studies in Solid State and Solution
PublicationHistaminol [4(5)-(B-hydroxyethyl)imidazole, 4-(1H-imidazol-2-yl)ethanol, L] is an analogue of histamine and its minor metabolite. So far its properties have not been studied in detail due to the synthetic difficulties. Here, the structure and acid-base properties of histaminol, as well as the results of studies on its copper(II) complexes in solid state and aqueous solution are reported. Stability constants of the histaminol–CuII...
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Potential energy curves, transition and permanent dipole moments of KRb
PublicationWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
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X-ray and UV Radiation Damage of dsDNA/Protein Complexes
PublicationRadiation and photodynamic therapies are used for cancer treatment by targeting DNA. However, efficiency is limited due to physico-chemical processes and the insensitivity of native nucleobases to damage. Thus, incorporation of radio- and photosensitizers into these therapies should increase both efficacy and the yield of DNA damage. To date, studies of sensitization processes have been performed on simple model systems, e.g.,...
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Assessment of hydrogenation of deposited metal of P 62 MR covered electrodes
PublicationThe 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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The unstable thermoelectric effect in non-stoichiometric Cu2Se during the non-equilibrium phase transition
PublicationThe superionic α ↔ β phase transition in Cu1.96Se thermoelectric material is investigated by means of thermal analysis (DSC) and measurements of Seebeck coefficient and electrical conductivity. Results of the DSC measurements with 1–10 K/min heating and cooling rates show that the material is close to the equilibrium phase composition during the transformation. However, the kinetic limitation of the process exists, which is indicated...
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Metal (Mo, W, Ti) Carbide Catalysts: Synthesis and Application as Alternative Catalysts for Dry Reforming of Hydrocarbons—A Review
PublicationDry reforming of hydrocarbons (DRH) is a pro-environmental method for syngas production. It owes its pro-environmental character to the use of carbon dioxide, which is one of the main greenhouse gases. Currently used nickel catalysts on oxide supports suffer from rapid deactivation due to sintering of active metal particles or the deposition of carbon deposits blocking the flow of gases through the reaction tube. In this view,...
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublicationThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...