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Porphyrinylphosphonate-Based Metal–Organic Framework: Tuning Proton Conductivity by Ligand Design
Chemistry - A European Journal. 2021. Vol. 27. P. 1598–1602.
Enakieva Y., Sinelshchikova A., Grigoriev M., Chernyshev V., Kovalenko K., Stenina I., Yaroslavtsev A. B., Gorbunova Y., Tsivadze A.
A novel metal–organic framework [Zn3(Ni-H2TPPP)(Ni-H4TPPP)(Ni-H5TPPP)·7(CH3)2NH2·DMF·7H2O]
(where Ni-HxTPPP (x=2,4,5) are partially deprotonated [5,10,15,20-tetrakis(3-(phosphonatophenyl)-porphyrinato(
2-))]nickel(II) species), IPCE-2Ni, with outstanding proton conductivity (1.0V10@2 Scm@1 at 75 8C and 95%
relative humidity) has been obtained. The high concentration of free phosphonate groups and compensating dimethylammonium cations bound by hydrogen bonds in the unique crystal structure of IPCE-2Ni is a key factor responsible for the observed high proton conductivity, which is one order of magnitude higher than for the corresponding MOF based on 5,10,15,20-tetrakis(4-(phosphonatophenyl)porphyrinato(2-))]nickel(II) IPCE-1Ni and comparable with that of leaders among MOFs.
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
Рыжкин М. И., Рыжкин И. А., Синицын В. В. et al., Письма в Журнал экспериментальной и теоретической физики 2025 Т. 122 № 1-2 С. 109–115
The frequency dependence of the proton conductivity of ice and water is theoretically investigated in a wide frequency range. The electric field of the inhomogeneous distribution of proton current carriers and their finite mass are taken into account. The first factor is responsible for the difference in the behavior of the transverse and longitudinal conductivities, ...
Added: January 17, 2026
Tarasova N., Bedarkova A., Animitsa I. et al., International Journal of Hydrogen Energy 2023 Vol. 48 No. 59 P. 22522–22530
Proton-conducting electrochemical devices such as protonic ceramic fuel cells and pro- tonic ceramic electrolysis cells play a major role in the creation of eco-friendly “green” energy systems. The most studies of proton-conducting materials for these devices are barium cerate zirconates. The layered perovskites are novel class of proton-conducting materials. In this paper, the possibility of ...
Added: December 18, 2025
Tarasova N., Abakumova E., Kuznetsova T. et al., Ceramics International 2024 Vol. 50 No. 20 P. 40445–40452
The search for novel functional ceramic materials with targeted properties is currently very important. Complex oxides with perovskite or perovskite-related structure are being considered for the production of electrochemical devices for the hydrogen energy ecosystem. Layered perovskites including based on BaLaInO4 are promising materials for proton-conducting electrolyte of solid oxide fuel cells. The idea of ...
Added: December 18, 2025
Zhigileva E., Enakieva Y., Chernyshev V. et al., Dalton Transactions 2024 Vol. 53 No. 39 P. 16345–16354
Post-synthetic modification of proton-conducting metal–organic frameworks (MOFs) by loading small molecules
capable of generating protons into pores is an efficient approach for developing a new type of material
with improved ionic conductivity. Herein, the synthesis, characterization and proton conductivity of a novel
electroneutral MOF based on palladium(II) meso-tetrakis(4-(phosphonatophenyl))porphyrinate, IPCE-1Pd, are
reported. The exposure of the obtained framework to imidazole ...
Added: January 21, 2025
Zhigileva E. A., Enakieva Y. Y., Sinelshchikova A. A. et al., Dalton Transactions 2023 Vol. 52 No. 24 P. 8237–8246
Hydrogen-bonded organic frameworks (HOFs) possessing high crystallinity, simple synthetic procedure and easy regeneration provide high efficiency as multifunctional systems, including applications as proton conductors. Porphyrinylphosphonates having acidic moieties, which can form multiple hydrogen bonds, together with tunable physical–chemical properties of a macrocycle may significantly improve the proton conductivity of such materials. Herein, the synthesis, characterization ...
Added: January 21, 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
Ulyana M. Zavorotnaya, Gudkov Y., Ponomarev I. et al., Ionics 2025 Vol. 31 P. 1891–1907
Impedance spectroscopy was used to study proton conductivity changing of pre-dried sulfonated perfluorinated and hydrocarbon (polynaphtoleimide) membranes over time during their hydration. For this purpose, commercial perfluorinated membranes Nafion 212, Nafion 211, Gore 18 and hydrocarbon co-polynaphthoyleneimide (co-PNIS) membranes with different hydrophobicity blocks (ODAS/MDAC and ODAS/MDOT) synthesized in this work were used. It was found ...
Added: January 15, 2025
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
Baldin E., Lyskov N., Vorobieva G. et al., Energies 2023 Vol. 16 No. 15 Article 5637
We report a study of nanophases in the La2O3–MO3 (M = Mo, W) systems, which are known to contain a variety of good oxygen-ion and proton conductors. Mechanically activated La2O3 + MO3 (M = Mo, W) mixtures and the final ceramics have been characterized by differential scanning calorimetry (DSC) and X-ray diffraction (XRD) with Rietveld ...
Added: July 31, 2023
Gogoleva N., Zorina-Tikhonova E., Khapaeva P. et al., Journal of Molecular Structure 2022 Vol. 1256 Article 132532
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 ...
Added: January 24, 2023
Рыжкин М. И., Рыжкин И. А., Кашин А. М. et al., Письма в Журнал экспериментальной и теоретической физики 2020 Т. 112 № 7-8(10) С. 531–538
The pressure dependence of the proton conductivity of water ice is studied theoretically. It is shown that the decrease in the hydrogen bond length leads to the decrease in the formation energy of ionic defects and to the increase in the formation energy of bond defects. As a result, the partial conductivity of ionic defects, ...
Added: October 31, 2022
Zavorotnaya U., Igor I. Ponomarev, Volkova Y. et al., Materials 2020 Vol. 22 No. 13 Article 5297
The sulfonated polynaphthoyleneimide polymer (co-PNIS70/30) was prepared by copolymerization of 4,4′-diaminodiphenyl ether-2,2′-disulfonic acid (ODAS) and 4,4’-methylenebisanthranilic acid (MDAC) with ODAS/MDAC molar ratio 0.7/0.3. High molecular weight co-PNIS70/30 polymers were synthesized either in phenol or in DMSO by catalytic polyheterocyclization in the presence of benzoic acid and triethylamine. The titration reveals the ion-exchange capacity of the polymer ...
Added: October 20, 2022
Yurova P., Yaroslavtsev A. B., Ashrafi A. et al., Reactive and Functional Polymers 2021 Vol. 165 Article 104959
Perfluorinated sulfonic acid (PFSA) polymer membranes are widely used as ion-conducting electrolytes in
energy-conversion devices. The development of novel hybrid materials containing inorganic dopants offers the
route towards optimization of the performance of the PFSA membranes. In this work, the effect of ultrasonic (US)
treatment of the PFSA solutions in the presence of SiO2 nanoparticles on the characteristics ...
Added: September 16, 2022