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Search results for: S-H---O=C HYDROGEN BOND
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Structure and thermoelectric properties of Bi–Te alloys obtained by novel method of oxide substrates reduction
PublicationA novel method of thermoelectric materials fabrication has been developed. Oxide reagents have been melted at high temperature in air, quenched, milled to powder and reduced in hydrogen to form Bi–Te alloys. Structural and thermoelectric properties of samples have been investigated depending on initial composition and temperature of reduction process. Sample 25Bi2O3–75TeO2 reduced at 340 °C for 10 h has been found to be a p-type...
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Influence of pyrolysis atmosphere on the lithium storage properties of carbon-rich polymer derived SiOC ceramic anodes
PublicationPolymer derived carbon-rich SiOC ceramics are prepared from polysiloxane precursors through a pyrolysis process at 1000 °C using pure argon and argon/hydrogen mixture as pyrolysis atmosphere. The precursor is synthesized from a linear (Si–H)-containing polysiloxane cross-linked with divinylbenzene using hydrosilylation reaction in the presence of a platinum catalyst. Pyrolysis in Ar/H2 mixtures, compared to the treatment under...
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Analiza oddziaływań w kryształach związków zawierających w strukturze pierścień pirydynowy
PublicationMożliwość tworzenia się wiązań wodorowych jest kluczowym parametrem z punktu widzenia inżynierii kryształu, ponieważ wiązania wodorowe mają bezpośredni wpływ na strukturę oraz trwałość sieci krystalicznej. Głównym celem niniejszej rozprawy doktorskiej była analiza porównawcza wiązań wodorowych występujących w układach, zawierających w strukturze pierścień pirydynowy. Badane układy podzielono na: (1) układy ze związkami krzemosiarkowymi...
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Preliminary studies of seamless flux cored wires stored in extreme conditions
PublicationIn the paper preliminary experimental studies of flux cored wires moisturized under controlled conditions are described. Three seamless wires of different grades have been placed in environmental chamber and moisturized in extremely adverse conditions (temperature T = 60° C, relative humidity H = 90%) for 240 hours. During this time measurements of weight gain and observations of surface of wires have been carried out. Also diffusible...
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<i>N,N,N</i>-Trimethyl-N-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5- yl)ammonium 4-methylbenzenesulfonate sesquihydrate.
PublicationThe structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydrophobic and polar character, stabilized by C-H...O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O-C(methine) bonds. A comparison to related compounds is presented. The tosylate-O atoms were disordered over two...
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Negative thermal expansion and antiferromagnetism in the actinide oxypnictide NpFeAsO
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Biowodór, „paliwo przyszłości”, dotychczasowe metody otrzymywania , porównanie metod otrzymywania
PublicationWodór jest ważnym pierwiastkiem w przemyśle chemicznym. Biowodór wydaje się być użytecznym odnawialnym nośnikiem energii, który mógłby zastąpić paliwa kopalne. Największym problemem wodoru jest jego rzadkie występowanie w czystej formie molekularnej H 2 . Dlatego otrzymanie biowodoru w objętościach opłacalnych ja ko surowiec czy biopaliwo wiedzie przez bioodpady „przesycone” wodorem. Każdy związek...
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Photochemical and thermal reaction of intermediates in the phenylnitrene rearangment inside a hemicarcerand
PublicationBroadband irradiation (λ > 320 nm) of hemicarceplex H1 between −74 °C and −84 °C, produces encapsulated didehydroazepine (2), triplet phenylnitrene (3PN), 2-azabicyclo[3.2.0]hepta-1,3,6-triene (6), and 4-azaspiro[2.4]hepta-1,4,6-triene (7). The highly strained anti-Bredt imine 6 is formed from 2 via a photochemical four-electron electrocyclization. Under the irradiation conditions, 6 rearranges further to azaspirene 7. In addition,...
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Formation of OH Radicals as Evidence of Intramolecular Hydrogen Migration in Cation-Induced Dissociation of Furan Molecules
PublicationWe 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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M-BDC (M = Co and/ or Fe) MOFs as effective catalysts for hydrogen generation via hydrolysis of sodium borohydride
PublicationMono- (Co-BDC, Fe-BDC) and bimetallic FeCo-BDC Metal-Organic Frameworks are successfully synthesized by the solvothermal method in DMF at 150 °C within 15 h and tested as catalysts for sodium borohydride hydrolysis. The materials are characterized by FTIR, PXRD, TGA, ICP-OES, H2-TPR, BET model, and SEM-EDS. The catalytic activity of these materials is studied for dehydrogenation of sodium borohydride in water at various temperatures...
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Bulk properties and electronic structure of PuFeAsO
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Configurational and Conformational Preferences in Stereoselective Acylations of N-Methyl-1,3-diaminopropane with Acyl Chlorides
PublicationEvidence for a stereoinduction profile of the reaction of N-methyl-1,3-diaminopropane with acyl chlorides was provided. A possibility to engage in intramol. CH2···HN and Cl···H-N interactions and the proton migration process to the methylamino group leads to the E secondary amides carrying the N···H+···N or N-H···N bridges, that show unusual spectroscopic images. Empirical relations between the ΔδC chem. shift differences,...
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The Backbone Coloring Problem for Bipartite Backbones
PublicationLet G be a simple graph, H be its spanning subgraph and λ≥2 be an integer. By a λ -backbone coloring of G with backbone H we mean any function c that assigns positive integers to vertices of G in such a way that |c(u)−c(v)|≥1 for each edge uv∈E(G) and |c(u)−c(v)|≥λ for each edge uv∈E(H) . The λ -backbone chromatic number BBCλ(G,H) is the smallest integer k such that there exists a λ -backbone coloring c of G with backbone H satisfying...
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(2R)-N-{3-[Bis(methylsulfanyl)methyleneamino]-propionoyl}bornane-10,2-sultam
PublicationW strukturze związku tytułowego występują słabe oddziaływania C-H...S oraz C-H...O.
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Improving osteoblasts cells proliferation via femtosecond laser surface modification of 3D-printed poly-ε-caprolactone scaffolds for bone tissue engineering applications
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Optimal backbone coloring of split graphs with matching backbones
PublicationFor a graph G with a given subgraph H, the backbone coloring is defined as the mapping c: V(G) -> N+ such that |c(u)-c(v)| >= 2 for each edge uv \in E(H) and |c(u)-c(v)| >= 1 for each edge uv \in E(G). The backbone chromatic number BBC(G;H) is the smallest integer k such that there exists a backbone coloring with max c(V(G)) = k. In this paper, we present the algorithm for the backbone coloring of split graphs with matching backbone.
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Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules
PublicationElimination of the excited hydrogen atoms H(n), n = 4–7, and hydrogen migration in formation of the excited NH(A 3Π) free radicals in the photodissociation of pyridine, C5H5N, molecules have been studied over the 17.5–70 eV photon energy range. In the measurements the photon-induced fluorescence spectroscopy technique has been applied. Both fragments are produced through excitation of pyridine molecules into higher-lying superexcited...
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Book Chapter in the Prime Archives in Chemistry: 2nd Edition (dissemination of knowledge)
PublicationTo cite a chapter in a book include: Jaroslaw Spychala. The CON−H….+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway. In: VSR Rajasekhar Pullabhotla, editor. Prime Archives in Chemistry: 2nd Edition. Hyderabad, India: Vide Leaf. 2022. https://doi.org/10.1155/2022/1707245
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Hydrogen production from ethanol In nitrogen microwave plasma At atmospheric pressure
PublicationHydrogen seems to be one of the most promising alternative energy sources. It is a renewable fuel as it could be produced from e.g. waste or bio-ethanol. Furthermore hydrogen is compatible with fuel cells and is environmentally clean. In contrast to conventional methods of hydrogen production such as water electrolysis or coal gasification we propose a method based on atmospheric pressure microwave plasma. In this paper we present...
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Influence of cooling rate and additives on low-temperature properties of asphalt mixtures in the TSRST
PublicationThe paper presents the results and analysis of low-temperature properties of asphalt mixtures according to Thermal Stress Restrained Specimen Test (TSRST) and Indirect Tensile Test methods. Different groups of bitumen were investigated: neat, SBS-modified and highly SBS-modified. Influence of cooling rates (1 C/h, 3 C/h, 5 C/h and 10 C/h) and additives (aramid fibres and crumb rubber) was identified as well. Moreover, for each...
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Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: Assessment in two blind tests
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Reliability and types of diagnosis in the process of diesel engine operation
PublicationThe article presents complexity of the problem concerning development of diagnosis with defined reliability by a diagnosing system (SDG) on technical condition of marine combustion engines, especially main engines. It was shown that development of the final diagnosis, the so-called initial operation diagnosis, on the operational usability (fDG on PEx) of a main engine in particular, is not possible without prior development of...
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Application of atmospheric pressure microwave plasma source for hydrogen production from ethanol
PublicationIn contrast to conventional technologies of hydrogen production like water electrolysis or coal gasification we propose a method based on the atmospheric pressure microwave plasma. In this paper we present results of the experimental investigations of the hydrogen production from ethanol in the atmospheric pressure plasma generated in waveguidesupplied cylindrical type nozzleless microwave (915 MHz and 2.45 GHz) plasma source (MPS)....
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9-(2,6-dichlorophenoxycarbonyl)10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-dichlorophenyl acridine-9-carboxylate
PublicationMetodą rentgenowskiej analizy strukturalnej oznaczono struktury obu tytułowych związków. W ich trójskośnych kryształach występują odpowiednio: układy oddziaływań elektrostatycznych, C-H...O i π-π lub C-H...Cl, π-π i oddziaływań dyspersyjnych.
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Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach
PublicationCrystal structures of (H2m4na)NO3 (1), (H2m4na)HSO4 (2), (H2m4na)2SiF6 (3) and (H2m4na)2SiF6*2H2O (4), where 2m4na = 2-methyl-4-nitroaniline, are presented. Two layers of interactions occur in the structures, N—H...O/F hydrogen bonds and interactions with the nitro group. Although diverse, hydrogen-bonding patterns are compared with each other by means of interrelations among elementary graph-set descriptors and descriptors of hydrogen-bonding...
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Characterization of structural, thermal and mechanical properties of bismuth silicate glasses
Publicationhe influence of heating and reduction processes on the structural, thermal and mechanical properties of bismuth-silicate glasses has been investigated. Two compositions of glasses: 40Bi2O3–60SiO2 (Bi0.57Si0.43Ox) and 27Bi2O3–73SiO2 (Bi0.43Si0.57Ox) were fabricated by a typical melt quenching technique. Then the reduction in hydrogen at 380 °C for 20, 42 or 67 h was performed. It was found that a 50 μm-thick layer was formed on...
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A note on fast approximate backbone coloring of split graphs with star--like backbones
PublicationDla grafu G = (V, E) z wyróżnionym podgrafem H, kolorowanie szkieletowe jest zdefiniowane jako odwzorowanie c spełniające |c(u) - c(v)| > 1 dla każdej krawędzi z E(H) oraz |c(u) - c(v)| > 0 dla każdej krawędzi z E(G). W pracy przedstawiono 1-przybliżony algorytm kolorowania szkieletowego split grafów ze skojarzeniem w szkielecie o złożoności O(|V|) oraz 1-przybliżony algorytm dla split grafów z rozłącznymi gwiazdami w szkielecie.
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Biotransformation of abused synthetic cannabinoids, JWH-018 and JWH-073, by human cytochromes P450 and UDP-glucuronosyltransferases
PublicationZwiązki oznaczone symbolami JWH-018 i JWH-073 są syntetycznymi pochodnymi kanabinoidów, obecnymi w preparatach o działaniu psychoaktywnym (K2/Spice). Wcześniejsze badań wykazały, że u osób przyjmujących tzw. ''legalną marihuanę'', głównymi produktami biotransformacji obecnymi w moczu były hydroksylowe pochodne obu związków, jak również ich glukuronidy. W związku z tym celem prowadzonych badań było określenie roli poszczególnych...
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2,4,6-Trimethylbenzamide.
PublicationAnaliza rentgenograficzna monokryształu 2,4,6-trimetylobenzamidu wykazała, że cząsteczki imidu oddziałują ze sobą poprzez wiązania wodorowe typu N-H...O=C tworząc motyw C(4). Takie uporządkowanie cząsteczek w sieci krystalicznej jest dodatkowo stabilizowane poprzez słabe oddziaływanie typu N-H...pi pomiędzy atomem syn-H grupy amidowej a pierścieniem aromatycznym. Wzajemne ułożenie grupy amidowej i pierścienia aromatycznego jest...
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New source of the thermostable alpha-glucosidase suitable for single stepstarch processing
PublicationZbadana wewnątrzkomórkowa termostabilna alfa-glukozydaza z Thermus thermo-philus przejawia największą aktywność w 85 C przy pH 6.2. Aktywność enzymu po 5 h inkubacji w 75 C (pH 6.2) prawie nie ulega zmianie a okres połowicznej inaktywacji w 85 C wynosi 2 h. Właściwości te wskazują na przydatność wymienionego enzymu w jednoetapowej hydrolizie skrobi.
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A Probe into the Corrosion Behavior of a WE43B Magnesium Alloy in a Simulated Body Fluid using Dynamic Electrochemical Impedance Spectroscopy
PublicationWE43B is one of the newest Mg alloys with practical application in biomedical implant technology. This work attempts to scrutinize the corrosion characteristics of WE43B alloy in a simulated body fluid (SBF) at a typical body temperature. The dynamic-electrochemical impedance spectroscopy with the capacity to track changes on surfaces in a dynamic corrosive system is used in combination with other classical techniques namely, linear...
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Central nervous system involvement in mantle cell lymphoma: clinical features, prognostic factors and outcomes from the European Mantle Cell Lymphoma Network†
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Influence of hydrogen on a nanocrystalline high-entropy oxide with application potential in hydrogen technologies
PublicationThe influence of hydrogen on a (Co0⋅2Cu0⋅2Mg0⋅2Ni0⋅2Zn0.2)O HEO with a rock salt structure was studied. Two forms of this HEO (nanopowder and sinter) were prepared via mechanochemical synthesis (MS) and additional heat treatment, respectively. The chemical stability of the synthesized samples in a pure hydrogen atmosphere was investigated using Sievert’s technique. High-pressure hydrogenation at 250 ◦C had no noticeable effect...
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Crystal fields, disorder, and antiferromagnetic short-range order in Yb0.24Sn0.76Ru
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Fungal co-culture improves the biodegradation of hydrophobic VOCs gas mixtures in conventional biofilters and biotrickling filters
PublicationThe present study systematically evaluated the potential of Candida subhashii, Fusarium solani and their consortium for the abatement of n-hexane, trichloroethylene (TCE), toluene and α-pinene in biofilters (BFs) and biotrickling filters (BTFs). Three 3.2 L BFs packed with polyurethane foam and operated at a gas residence time of 77 s with an air mixture of hydrophobic volatile organic compounds (VOCs) were inoculated with C. subhashii,...
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Effect of Some Sulphur Additives on The Degradation of 9Cr-1Mo Steel After Its 10 Years Service in The CCR Platforming Unit
PublicationThe work shows the results of the tests of 9Cr-1Mo steel, which was for 10 years operated in the CCR platforming unit in Group Lotos SA in Gdańsk, and then in the laboratory was sulphidised during 166 h at a temperature of 600 °C. Sulphidation was performed in a mixture of H2-H2S gases at the vapour pressure of sulphur 4.1·10-14 atm, so the order of magnitude of vapour pressure was less than that of the dissociation pressure of...
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Synthesis and hydrogen evolving catalysis of a panchromatic photochemical molecular device
PublicationA dinuclear hydrogen evolution photocatalyst [(tbbpy)2Os(tpphz)PtI2](PF6)2 (tbbpy = 4,4′-tert-butyl-2,2′-bipyridine; tpphz = tetrapyrido[3,2-a:2′,3′-c:2′′,3′′-h:2′′′,3′′′-j]phenazine) is synthesized in order to make use of the broader range of visible light absorption mitigated by the osmium center. In a first step, the activity of the complex for hydrogen evolution is investigated by evaluating the role of different electron donors...
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10-Methyl- and 9,10-dimethyl acridinium methyl sulfate
PublicationThe title compounds, C(14)H(12)N(+).CH(3)O(4)S(-), (I), and C(15)H(14)N(+).CH(3)O(4)S(-), (II), respectively, crystallize with the planar 10-methylacridinium or 9,10-dimethylacridinium cations arranged in layers, parallel to the twofold axis in (I) and perpendicular to the 2(1) axis in (II). Adjacent cations in both compounds are packed in a 'head-to-tail' manner. The methyl sulfate anion only exhibits planar symmetry in (II)....
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MOF/TiO2 erythrocyte-like heterostructures decorated by noble metals for use in hydrogen photogeneration and pollutant photodegradation
PublicationVarious metal–organic framework (MOF)/TiO2 heterostructures can be obtained by the partial hydrolysis or calcination of Ti-based MOFs. By adjusting the hydrolysis and calcination steps of NH2-MIL-125 (Ti), a novel photoactive material composed of a MOF (NH2-MIL-125 (Ti)) and TiO2, with a unique “erythrocyte” shape, was developed. Furthermore, modification of the composition prepared by the partial hydrolysis of NH2- MIL-125 (Ti)...
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Hydrogen-bonded one-dimensional networks in 1:1 complexes of N,N`-bis(2-pi-rydyl)aryldiamines with anilic acid. Acta Cryst. Sect. C Crystal Struct.Commun.**2002 vol. 58 s. o735-o738, 4 rys. 4 tab. bibliogr. 15 poz. Jednowymiarowe sieci krystaliczne tworzone w wyniku oddziaływań wodorowych pomiędzy N,N`-bis(2-pirydylo)aryloaminami a kwasem anilowym.
PublicationOtrzymano związki kompleksowe kwasu anilowego z N,N`-bis(2-pirydylo)-1,4-diaminobenzenem oraz N,N`-bis(2-pirydylo)-4,4`-diaminobifenylem o stechiometrii1:1, a następnie przeprowadzono analizę rentgenograficzną monokryształów. Wobu przypadkach cząsteczki, wchodzące w skład kompleksu są powiązane ze sobąkonwencjonalnymi oddziaływaniami wodorowymi. Tym samym tworzy się jednowy-miarowa sieć krystaliczna z dziewięcioczłonowym pierścieniowym...
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Highly Occupied Surface States at Deuterium-Grown Boron-Doped Diamond Interfaces for Efficient Photoelectrochemistry
PublicationPolycrystalline boron-doped diamond is a promising material for high-power aqueous electrochemical applications in bioanalytics, catalysis, and energy storage. The chemical vapor deposition (CVD) process of diamond forma-tion and doping is totally diversified by using high kinetic energies of deu-terium substituting habitually applied hydrogen. The high concentration of deuterium in plasma induces atomic arrangements and steric...
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Performance of the PEM fuel cell module. Part 2. Effect of excess ratio and stack temperature
PublicationThe paper describes a fuel cell based system performance under different thermal conditions. The system could be fed with bottled hydrogen or with very high purity hydrogen obtained from reforming of methanol. The system is based on two fuel cell units (1.2 kW each, produced by Ballard Power Systems Inc. and called Nexa), DC/DC converter, DC/AC inverter, microprocessor control unit, load unit, bottled hydrogen supply system and...
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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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Investigation of the structural and thermal properties of aluminum-rich Ca–Al–Si–O–N glasses
PublicationIn this paper, we investigate the structure and thermal properties of aluminum-rich transparent Ca–Al–Si–O–N glasses. The obtained glasses were prepared by a traditional melt-quenching technique at 1650 °C using AlN as the nitrogen source. The obtained glasses have a nAl/nSi>1 and contain up to 17 eq.% of N. The structure of the glasses was characterized by X-ray diffraction, X-ray photoelectron spectroscopy, infrared, and Raman...
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Morphology changes in Fe-Cr porous alloys upon high-temperature oxidation quantified by X-ray tomographic microscopy
PublicationThe effect of high-temperature oxidation at 850 C (10 h, 30 h, 100 h) and 900 C (10 h) on porous (30 % porosity) ferritic stainless steel (Fe22Cr) has been investigated using synchrotron tomographic microscopy, which allowed for visualisation, separation and quantitative analysis of the metallic core, closed pores, open pores and oxide scale phase. The same regions within the samples were investigated before and after oxidation...
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The Protein Folding Problem
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Electrochemistry/mass spectrometry (EC/MS) for fast generation and identification of novel reactive metabolites of two unsymmetrical bisacridines with anticancer activity.
PublicationThe development of a new drug requires knowledge about its metabolic fate in a living organism, regarding the comprehensive assessment of both drug therapeutic activity and toxicity profiles. Electrochemistry (EC) coupled with mass spectrometry (MS) is an efficient tool for predicting the phase I metabolism of redox-sensitive drugs. In particular, EC/MS represents a clear advantage for the generation of reactive drug transformation...
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Urchin-like TiO2 structures decorated with lanthanide-doped Bi2S3 quantum dots to boost hydrogen photogeneration performance
PublicationThe formation of heterojunctions between wide- and narrow-bandgap photocatalysts is commonly employed to boost the efficiency of photocatalytic hydrogen generation. Herein, the photoactivity of urchin-like rutile particles is increased by decorating with pristine as well as Er- or Yb-doped Bi2S3 quantum dots (QDs) at varied QD loadings (1–20 wt%) and doping degrees (1–15 mol%), and the best hydrogen evolution performance is achieved at...
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Recent improvements in prediction of protein structure by global optimization of a potential energy function
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A novel (Ti/Ce)UiO-X MOFs@TiO2 heterojunction for enhanced photocatalytic performance: Boosting via Ce4+/Ce3+ and Ti4+/Ti3+ redox mediators
PublicationTitanium-substituted cerium-oxo-based UiO MOFs with terephthalate linkers modified by various groups (–Br, –NH2, –NO2) or their derivatives (N-heterocyclic or biphenyl groups) were combined with titanium dioxide in a multistep route to obtain a core-shell-like architecture. DFT simulations showed that Ce- and bimetallic Ti/Ce- MOFs exhibited different charge compensation. Extended characterization revealed the formation of heterojunctions between...