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Analysis of the dependence of dimethylmalonate complexes structure on the nature of heterometals by the example of Co(II) и Cd(II) compounds with K and Ba atoms
Journal of Molecular Structure. 2022. Vol. 1256. Article 132532.
Gogoleva N., Zorina-Tikhonova E., Khapaeva P., Shmelev M., Kiskin M.
A series of cobalt(II) and cadmium(II) compounds comprising dimethylmalonate anions combined with potassium and barium ions have been synthesized. The compounds obtained are coordination polymers with 3D structure (1) or 2D structure (2–4). It has been shown that, depending on the nature of heterometals, the type of coordination of dimethylmalonic acid by d-metal atoms changes: from bischelate type (2) and chelate type combined with bridging type (1, 2), to complexes that do not contain six-membered chelate rings with d-metal atoms (3 and 4). Topological analysis of the compounds synthesized showed that the topological motif of structures 1, 2, and 4 is represented by new 4,5,6-coordinated networks, while that of 3 is a new 4,6-coordinated network.
Makarov D. M., Kalikin N., Fashchevsky K. A. et al., Electrochimica Acta 2026 Vol. 579 Article 150159
Machine learning (ML) has become a powerful tool for accelerating the development of carbon-based supercapacitors;
however, most published models assume that a single predictive framework can describe both conventional
porous carbons and hybrid carbon electrodes. Here, we test this assumption using a comprehensive
benchmark dataset and an extended literature-curated dataset enriched with synthesis- and electrolyte-related
descriptors. Three ML algorithms ...
Added: October 13, 2026
Shi R., Yu Y., Chibisov A., International Journal of Hydrogen Energy 2025 Vol. 107 P. 52–62
Cyanide containing wastewater can cause livestock death and reduce agricultural production and electrochemical reduction of cyanide (CNRR) is a promising way to eliminate its harm and turn waste into valuable products. However, the reaction mechanism and function of electrocatalysts for CNRR have not been fully understood yet. Herein we identify a two-dimensional (2D) conductive copper-organic ...
Added: October 11, 2026
Zhukov A., Chen F., Zeng Y. et al., Nanoscale 2026 Vol. 18 No. 36 P. 19223–19253
Colloidal semiconductor nanocrystals have emerged as promising materials for next-generation light-emitting diodes (LEDs) owing to their solution processability, tunable emission wavelengths, narrow emission linewidths, and high photoluminescence quantum yields. Among them, anisotropic nanocrystals, including one-dimensional nanorods (NRs) and two-dimensional nanoplatelets (NPLs), offer additional opportunities for controlling transition dipole moment orientation and light out-coupling efficiency. These ...
Added: October 2, 2026
Мальцева В. Е., Ananyev I., Milevskii N. et al., Molecular Systems Design and Engineering 2026 Vol. 11 No. 7 P. 691–704
The use of hydrophobic deep eutectic solvents (DESs) as extractants for metal ion separation is largely due to the ease of their preparation and the possibility of modifying them depending on the composition of the metal mixture to be separated. However, the most common approach to DES modification involves the replacement of the extractant, while ...
Added: October 2, 2026
Мальцева В. Е., Ananyev I., Golubev A. V. et al., Russian Journal of Inorganic Chemistry 2026 Vol. 71 P. 724–736
Two voluminous polymer silver(I) salts of perchlorinated dodecoborate clusters, {[(Me2CO)Ag(μ-Me2CO)2Ag(Me2CO)][μ-B12Cl12]}n (1) and {[DMFAg(μ-DMF)2AgDMF][μ-B12Cl12]}n (2) were synthesized. The 35Cl nuclear quadrupole resonance (NQR) spectroscopy supplemented with the X-ray diffraction data was applied for identifying and analyzing noncovalent interactions Cl···X in these salts. Whereas in X-ray diffraction, noncovalent interactions are associated with the presence of the shortened ...
Added: October 2, 2026
Мальцева В. Е., Rozhkov A., Ananyev I. et al., Inorganic Chemistry 2026 Vol. 65 No. 22 P. 12484–12496
Despite the well-established importance of chalcogen bonding in crystal engineering and supramolecular chemistry, experimental charge density data for TeII-centered chalcogen bonds have remained entirely absent, leaving the electronic nature of these interactions uncharacterized at the level of directly measured electron density. Here, we report the first high-resolution X-ray diffraction (HRXRD) study of TeII-centered chalcogen bonds, ...
Added: October 2, 2026
Ostovari Moghaddam A., Mehrabi-Kalajahi S., Solizoda I. A. et al., Metals and Materials International 2026 P. 1–9
Off-stoichiometric boron-doped chemically complex intermetallic alloys (CCIMAs) have recently emerged as a new avenue for overcoming the low temperature brittleness of ordered superlattices. However, their behavior at high temperatures remains unexplored. In this study, a novel (Ni39.6Co29.3Cr10Al15.8Ta3.3Nb2)98.5B1.5 CCIMA was prepared and its oxidation resistance over a wide temperature range (500 °C–950 °C) was studied. The ...
Added: October 1, 2026
Kashpurovich I., Oleynichenko A., Stegailov V., Supercomputing Frontiers and Innovations 2026 Vol. 13 No. 1 P. 52–73
We report a high-performance implementation of the resolution-of-the-identity Hartree–Fock method that fully exploits the permutational symmetry of three-center electron repulsion integrals (ERI). The present implementation adopts a hybrid MPI+OpenMP parallelization strategy. Two different algorithmic approaches (with and without the pre-transformation of ERIs) are compared. A custom data layout introduced previously is employed. Designed to efficiently ...
Added: September 28, 2026
Li Y., Han J., Zaman N. et al., ACS Applied Materials & Interfaces 2026 Vol. 18 No. 39 P. 54241–54251
The development of lead sulfide (PbS) quantum dot (QD) photodetectors for short-wave infrared (SWIR) applications has been fundamentally limited by the thermodynamic instability of large PbS QD facets, which leads to aggregation and epitaxial fusion. In this work, robust thermodynamic stabilization was achieved by introducing methylammonium chloride (MACl) in PbS QD surface passivation, as validated ...
Added: September 26, 2026
Lukacheva S., Zakharova E., Makhaneva A. et al., Journal of Solid State Chemistry 2025 Vol. 345 Article 125223
A new gallium-rich intermetallic Ti2-xNi3Ga9 was synthesized by high-temperature techniques as bulk samples and single crystals. The composition and structure of the compound were established by a combination of single-crystal and powder X-ray analysis and energy-dispersive X-ray spectroscopy. The obtained intermetallic compound crystallizes in its own structure type and has a narrow homogeneous region of ...
Added: February 23, 2026
Matiukhina A., Ekaterina N. Zorina-Tikhonova, Daniil O. Blinou et al., Journal of Magnetism and Magnetic Materials 2025 No. 614 Article 172650
The interaction of Co(NO3)2⋅6H2O and MI2CO3 (MI = Rb or Cs) with dimethylmalonic acid (H2Me2mal) leads to
the formation of 3D polymeric compounds: {[Co4Rb8(Me2mal)8(H2O)8]⋅5H2O}n (1) and {[CoCs2(Me2mal)2
(H2O)4]⋅H2O}n (2), respectively. The structures of 1 and 2 were characterized using X-ray diffraction analysis
and IR spectroscopy. Each complex contains CoII atoms arranged in four vertex polyhedra. Both compounds
exhibit field-induced ...
Added: February 20, 2025
Boykova I., Yuzikhin O., Novikova I. et al., Microorganisms 2023 Vol. 11 No. 3 Article 764
Streptomycetes produce a huge variety of bioactive metabolites, including antibiotics, enzyme inhibitors, pesticides and herbicides, which offer promise for applications in agriculture as plant protection and plant growth-promoting products. The aim of this report was to characterize the biological activities of strain Streptomyces sp. P-56, previously isolated from soil as an insecticidal bacterium. The metabolic complex was ...
Added: January 20, 2025
Дюканов П. А., Kozhukhov M., Popov D. et al., Успехи прикладной физики 2024 Т. 12 № 4 С. 334–342
The paper considers options for the design of an n-channel junction-gate field-effect transistor, integrated into a high-voltage complementary bipolar technological process with isolation by a reverse-biased p-n junction. Criteria for the selection of transistor models according to electrophysical parameters are formulated. Taking into account the criteria, the instrument-technological modeling on bulk silicon substrates was carried ...
Added: September 12, 2024
Mikhail Yu. Romashikhin, , in: Proceedings 2024 International Russian Smart Industry Conference (SmartIndustryCon), 25-29 March 2024.: Sochi: IEEE, 2024. P. 104–108.
This article describes the implementation of regular topologies for networks-on-chip. The complexity of network development and its main parameters depend on the choice of topology. The rationale for the influence of topology on network bandwidth is given. Software that automates the generation of configuration files (bitstream) for the implementation of networks-on-chip with different topologies and ...
Added: May 13, 2024
Pankov R., Prima D., Kostyukovich A. et al., Dalton Transactions 2023 Vol. 52 No. 13 P. 4122–4135
Pd/NHC complexes (NHCs – N-heterocyclic carbenes) with electron-withdrawing halogen groups were prepared by developing an optimized synthetic procedure to access imidazolium salts and the corresponding metal complexes. Structural X-ray analysis and computational studies have been carried out to evaluate the effect of halogen and CF3 substituents on the Pd–NHC bond and have provided insight into ...
Added: February 14, 2024
Gavrilov S., Gavrilin I., Martynova I. et al., Batteries 2023 Vol. 9 No. 9 Article 445
Germanium–cobalt–indium nanostructures were synthesized via cathodic electrodeposition
from aqueous complex solutions of Ge (IV) and Co (II) with drop-like indium crystallization centers.
This approach features simplicity, avoids heating and allows using cheaper GeO2 instead of pure
Ge as starting material. Further, in this case, target nanostructures grow directly upon the substrate.
Various analytical methods (scanning electron microscopy, transmission electron ...
Added: January 25, 2024
Krenke A., Sandlerskiy R., Baibar A. et al., Известия РАН. Серия биологическая 2023 № 7 С. 93–108
A brief review of the main models for emergence of boundaries and, in a particular case, integrity, arising from the theory of nonlinear volumetric systems. Based on the fundamental value of Kotelnikov’s reference and, accordingly, the general theory of awareness about identifying a characteristic border feature, as frequency of sampling functions in incidence along with ...
Added: December 9, 2023
Komarova A., Dmitry S. Perekalin, Organometallics 2023 Vol. 42 No. 13 P. 1433–1438
There is a common assumption that replacement of the classical catalyst based on rare and expensive noble metals by the catalysts based on earth-abundant metals will dramatically reduce the costs of organic synthesis. Herein we demonstrate that it may not be true, mainly because sophisticated organic substrates and modern reagents are often as expensive as ...
Added: August 11, 2023
Mandal R., Barsu N., Garai B. et al., Chemical Communications 2021 Vol. 57 No. 91 P. 12167–12170
A new protocol is developed for the mono- and bis-ortho-C–H alkynylation of easily accessible benzamide derivatives using alkynyl bromides at room temperature by merging cobalt and photocatalysts. The diverse reactivity of various alkynyl bromides towards the C–H alkynylation and competing C–H/N–H bond annulation reactions has been demonstrated to give the corresponding products in good yields ...
Added: January 24, 2023
Orlova E., Sorokin T., Antipin A. et al., Crystal Growth & Design 2023 Vol. 23 No. 1 P. 473–479
Cadmium-doped lanthanum and praseodymium oxymolybdates were synthesized as single crystals and polycrystalline samples. X-ray diffraction analysis confirmed that Cd cations replace rare-earth atoms in the oxymolybdate structure (sp. gr. I4̅c2), shifting from the main position to a distance of approximately 0.6 A. It is shown that in the temperature range of 20−600 °C, Cd doped ...
Added: December 5, 2022
A. N. Krenke, R. B. Sandlersky, A. S. Baybar et al., Известия РАН. Серия биологическая. 2023 Vol. 50 No. 1 P. S85–S99
Four main models of the appearance of boundaries (in a particular case, integrity), arising from the theory of nonlinear dynamic systems, are considered briefly. On the basis of Kotelnikov’s fundamental sampling theorem and, accordingly, general information theory, the character of a distinguished boundary as a function of the sampling frequency in a spatial series with a ...
Added: December 2, 2022
Tatiana L. Kulova, Skundin A., Gavrilin I. M. et al., Batteries 2022 Vol. 8 No. 8 Article 98
Nanostructure composites Ge-Co-P with brutto-composition CoGe2P0.1, or CoGe2@GeP were manufactured via electrolysis of aqueous electrolyte. Such composites are able to reversible insertion of lithium and sodium with specific capacities up to 855 and 425 mAh/g, respectively. The main advantage of the composites consists in their excellent cycleability. ...
Added: November 25, 2022
Antonina A. Arkhipova, Ivanov S., Zhuravitskii S. et al., Nanophotonics 2022 Vol. 11 No. 16 P. 3653–3661
We report the experimental observation of the periodic switching of topological edge states between two dimerized fs-laser written waveguide arrays. Switching occurs due to the overlap of the modal fields of the edge states from topological forbidden gap, when they are simultaneously present in two arrays brought into close proximity. We found that the phenomenon ...
Added: October 17, 2022
Letellier C., Stankevich N., Rössler O., International Journal of Bifurcation and Chaos in Applied Sciences and Engineering 2022 Vol. 32 No. 2 Article 2230004
Characterizing accurately chaotic behaviors is not a trivial problem and must allow to determine the properties that two given chaotic invariant sets share or not. The underlying problem is the classification of chaotic regimes, and their labeling. Addressing these problems corresponds to the development of a dynamical taxonomy, exhibiting the key properties discriminating the variety ...
Added: February 24, 2022