Практикум по общей и неорганической химии : учебно-методическое пособие
Editor-in-chief: Istomin S.
Compiler: Zakharov M., Istomin S., Mazo G., Розова М. Г.
, , et al., Electrochimica Acta 2020 Vol. 351 P. 136465
A major challenge in the design of electrochemical biodevices is to achieve fast rates of electron exchange between proteins and electrodes. In this work, we show that a significant increase in the direct electron transfer rate between a graphite electrode and Tobacco Peroxidase takes place when a surface exposed leucine, located in the vicinity of ...
Added: July 22, 2020
The impact of atomic defects on high-temperature stability and electron transport properties in Sr2Mg1−xNixMoO6–δ solid solutions
, , et al., Journal of Alloys and Compounds 2021 Vol. 883 Article 160821
The computational modeling within a density functional theory was applied for simulations of electronic spectra and calculations of structural and energy characteristics of the cubic double perovskite oxides Sr2Mg1−xNixMoO6–δ, where x = 0, 0.5, and 1. The oxygen stoichiometric molybdates are antiferromagnetic semiconductors with an energy gap near 2 eV. The energy-based arguments show that ...
Added: June 23, 2021
Development of surface-sulfonated graft anion-exchange membranes with monovalent ion selectivity and antifouling properties for electromembrane processes
, , Journal of Membrane Science 2020 Vol. 612 P. 118408
This communication describes the development of anion-exchange membrane (AEM) with a modified surface possessing monovalent ion selectivity and antifouling properties. Modified AEMs series was obtained by the formation of an oppositely-charged thin layer utilizing the surface sulfonation of the grafted AEMs. The creation of the interface layer leads to a significant increase in the Cl/SO4 ...
Added: August 30, 2020
, , et al., Chemistry - A European Journal 2020 Vol. 26 P. 12188-12193
Two novel cerium(IV) phosphates were obtained: cerium(IV) hydroxidophosphate, Ce(OH)PO4, and cerium(IV) oxidophosphate, Cе2O(PO4)2, which were shown to complement the classes of isostructural compounds M(OH)PO4 and R2O(PO4)2, where M = Th, U and R = Th, U, Np, Zr. Cе2O(PO4)2 oxidophosphate is formed by elimination of H2O from the crystal structure of Ce(OH)PO4 during its thermal ...
Added: July 2, 2020
, , et al., ChemistrySelect 2020 Vol. 5 No. 39 P. 12243-12249
Energetic compounds 1–6, consisting of one or two furazan rings linked by azo or azoxy bridges and one or two nitro‐NNO‐azoxy substituents, were synthesized by nitration of the corresponding tert‐butyl‐NNO‐azoxy precursors with NO2BF4. Novel methods for the synthesis of 3,4‐bis(tert‐butyl‐NNO‐azoxy)furazan (7) and bis‐4,4′‐(tert‐butyl‐NNO‐azoxy)‐3,3′‐azoxyfurazan (21) were elaborated. The nitro‐NNO‐azoxy compounds obtained display high calculated detonation performance (vD=8.07–9.40 km s−1 and PC‐J=27.4–43.4 GPa) that ...
Added: October 17, 2020
, , et al., undefined 2020 Vol. 3 No. 5 P. 4690-4698
Electrochemical reduction of carbon dioxide (CO2RR) is promoted by ionic liquid (IL) co-catalysts, and several mechanisms have been proposed to explain their role. Due to the complexity of the CO2RR and the limited number of active IL co-catalysts, a consensus on the precise role of ILs has not been reached, and it is not possible ...
Added: October 29, 2020
, , Polymer Science - Series C 2018 Vol. 60 No. Supplement 1 P. 148-159
Theoretical models of the conformational behavior of flexible polymer chains in mixed solvents enunciated in the world literature during the last decade are critically reviewed. Models describing different mechanisms of coil-to-globule transitions in a good solvent induced by cosolvent addition are highlighted. Special attention is given to the analysis of theoretical approaches to describing the ...
Added: November 30, 2018
Computation of drug solvation free energy in supercritical CO2: alternatives to all-atom computer simulations
, , et al., Fluid Phase Equilibria 2021 Vol. 544-545 Article 113096
Despite the modern level of development of computational chemistry methods and technological progress, fast and accurate determination of solvation free energy remains a huge problem for physical chemists. In this paper, we describe two computational schemes that can potentially solve this problem. We consider systems of poorly soluble drug compounds in supercritical carbon dioxide. Considering that the biggest contribution ...
Added: June 1, 2021
Bari: Digilabs Pub., 2021
ASYS, the AIPEA School for Young Scientists. ASYS was successfully convened at the Andalusian Institute of Earth Sciences (CSIC-UGR, Granada, Spain) on July 15 and 16, 2017, under the supervision of Dr. Claro Ignacio Sainz Díaz, researcher of this centre, and in close connection to the 16th International Clay Conference in Granada (ICC 2017). Young and not so-young ...
Added: September 5, 2021
, , , Coordination Chemistry Reviews 2021 Vol. 426 P. 1-23
Abstract In this review we summarize the results of recent studies of the mechanisms of magnetoelectric effect in mixed-valence molecules. Consideration of fairly different systems and emerging situations is united by a common physical concept of spin-dependent electric polarizability in a wide class of such systems. In many-electron dimers, which are on the borderline between ...
Added: September 10, 2021
, , et al., Journal of Alloys and Compounds 2021 Vol. 859 Article 157782
MgPd2 is an intermetallic compound with a reversible hydrogen uptake near ambient conditions. Hydrogenation occurs near room temperature at pressures below 0.1 MPa to form a hydrogen-rich MgPd2H0.88 phase. In this work, hydrogen sorption isotherms were measured at 283 K ≤ T ≤ 328 K as well as at a cryogenic temperature of 77 K and pressure values up ...
Added: November 5, 2020
, , et al., Физика и техника полупроводников 2017 Т. 51 № 8 С. 1028-1030
Thermoelements for thermoelectric coolers from fine-crystalline materials based on antimony and bismuth chalcogenide solid solutions of p- and n-type conductivities, obtained by hot pressing and extrusion from powders, made by melt spinning, were studied. Calculations of modules’ properties were performed in the range of 100−400K, taking into account temperature dependencies of thermoelectric parameters of legs, and the parameters of thermoelectric legs’ matching ...
Added: October 30, 2019
A General and Facile Approach for the Electrochemical Reduction of Carbon Dioxide Inspired by Deep Eutectic Solvents
, , et al., ChemSusChem 2019 Vol. 12 No. 8 P. 1635-1639
Deep eutectic solvents (DESs) were applied to the electrochemical CO2 reduction reaction (CO2RR). Choline‐based DESs represent a non‐toxic and inexpensive alternative to room‐temperature ionic liquids (RTILs) as additives to the system or as electrolyte. Following the study on choline‐based DESs this approach was generalized and simple and organic‐soluble systems were devised based on the combination of ...
Added: October 29, 2020
Heavy-Atom Antiferromagnet GdBiTe: An Interplay of Magnetism and Topology in a Symmetry-Protected Topological Semimetal
, , et al., Chemistry of Materials 2021 Vol. 33 No. 7 P. 2420-2435
Magnetic topological semimetals (MTSs) are quantum materials highly desirable for spintronics. We report the synthesis, the crystal structure, the chemical bonding analysis, the magneto(transport) properties, and the bulk and surface electronic structures of GdBiTe. It is a high-Z isostructural analogue of the archetypical nodal-line TS ZrSiS and a recently discovered MTS LnSbTe (Ln = Ce, ...
Added: April 30, 2021
Synthesis of Diazanorcaradienes and 1,2-Diazepines via the Tandem [4+2]-Cycloaddition/Retro-[4+2]-Cycloaddition Reaction between Methoxycarbonylcyclopropenes and Dimethoxycarbonyltetrazine
, , et al., European Journal of Organic Chemistry 2019 Vol. 2019 No. 26 P. 4133-4138
The reaction of di(methoxycarbonyl)tetrazine with substituted cycloprop-2-ene-1-carboxylates gives a series of 3,4-diazanorcaradienes and 1,2-diazepines. The influence of the nature of cyclopropenes and the reaction conditions on its selectivity was investigated. The addition of nucleophiles to norcaradienes was studied and a rare example of the “walk” rearrangement in this class of compounds was revealed. ...
Added: October 12, 2019
Push-pull molecules bearing a hydrazonocyclopentadiene acceptor moiety: from the synthesis to organic photovoltaic applications
, , et al., Mendeleev Communications 2019 Vol. 29 No. 3 P. 304-306
First representatives of a novel class of compounds containing an electron-accepting hydrazonocyclopentadiene moiety, π-conjugated phenylene spacer, and electron-donating triphenylamine moiety have been synthesized. Investigation of their optical, electrochemical and photovoltaic properties revealed a high potential of the hydrazonocyclopentadiene acceptor moiety in the design of donor-acceptor compounds for organic photovoltaics. ...
Added: October 14, 2020
Rotating ring-disk electrode as a quantitative tool for the investigation of the oxygen evolution reaction
, , et al., Electrochimica Acta 2018 Vol. 286 P. 304-312
In this work we analyze the applicability limits of the rotating ring-disk electrode (RRDE) technique for quantifying the amount of oxygen produced during the oxygen evolution reaction (OER). We utilize a state-of-the art IrO2 oxide as a carbon-free OER catalyst and La1xSrxMn0.5Co0.5O3d, x . 0.25 and 0.5 perovskites, which are studied in the presence of carbon. RRDE experiments ...
Added: May 29, 2019
Reply to Comment on ‘Nonlocal statistical field theory of dipolar particles in electrolyte solutions’
, Journal of Physics: Condensed Matter 2019 Vol. 31 P. 078002-078003
We reply to the comment on our paper by Budkov (2018 J. Phys.: Condens. Matter 30 344001). ...
Added: January 4, 2019
Radiation-induced chemistry in the C2H2–H2O system at cryogenic temperatures: a matrix isolation study
, , et al., Monthly Notices of the Royal Astronomical Society 2020 Vol. 491 No. 4 P. 5140-5150
Investigations of the low-temperature radiation-induced transformations in the C2H2–H2O system are relevant to the chemistry occurring in interstellar and cometary ices. In this work, we applied a matrix isolation technique to study the radiation-driven evolution of this system at molecular level in order to get new mechanistic insight. The 1:1 C2H2⋅ ⋅ ⋅H2O complexes were prepared in ...
Added: January 21, 2021
Novel anion exchange membrane with low ionic resistance based on chloromethylated/quaternized‐grafted polystyrene for energy efficient electromembrane processes
, , , Journal of Applied Polymer Science 2020 Vol. 137 No. 19 P. 48656
A novel anion-exchange membrane has been manufactured by chloromethylation and subsequent quaternization of polystyrene within a graft copolymer films based on UV-oxidized polymethylpentene. Particular attention is given to the kinetics of chloromethylation and the influence of the reaction conditions on the properties of the anion-exchange membranes. By means of variation of the polystyrene content and ...
Added: February 27, 2020
Structure of the carboxypeptidase B complex with N-sulfamoyl-L-phenylalanine - a transition state analog of non-specific substrate
, , et al., Journal of Biomolecular Structure and Dynamics 2018 Vol. 36 No. 4 P. 956-965
Carboxypeptidase B (EC 22.214.171.124) (CPB) is commonly used in the industrial insulin production and as a template for drug design. However, its ability to discriminate substrates with hydrophobic, hydrophilic, and charged side chains is not well understood. We report structure of CPB complex with a transition state analog N-sulfamoyl-L-phenylalanine solved at 1.74 angstrom. The study ...
Added: January 28, 2019
, , et al., Nature Communications 2020 Vol. 11 Article 1484
The rapid progress in mass-market applications of metal-ion batteries intensifies the development of economically feasible electrode materials based on earth-abundant elements. Here, we report on a record-breaking titanium-based positive electrode material, KTiPO4F, exhibiting a superior electrode potential of 3.6 V in a potassium-ion cell, which is extraordinarily high for titanium redox transitions. We hypothesize that such ...
Added: February 10, 2021
, М.: ЛЕНАНД, 2020
Within the presented monograph for the first time statistical approaches, based on the self-consistent field theory, were presented for the theoretical description of the thermodynamic properties of the ion-molecular systems (electrolyte solutions, ionic liquids, dielectric polymers and metal-organic frameworks) in the bulk solution and at the interfaces with the account for their molecular structure. In ...
Added: November 18, 2019
, , et al., Current opinion in Electrochemistry (United States) 2019 Vol. 14 P. 23-31
Transition metal oxides are attractive noble metal-free catalysts of the oxygen reduction for application at the cathode of alkaline membrane fuel cells or metal-air batteries. However, despite of a rapidly increasing number of publications devoted to the oxygen electrocatalysis on transition metal oxides, a clear picture regarding the relations between their structure and composition on the one hand and electrocatalytic activity on the other hand is lacking. ...
Added: June 2, 2019