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Of all publications in the section: 111
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Article
Kotov V.Yu, Buikin P. A., Rudenko A. Y. et al. Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya. 2018. Vol. 44. No. 6. P. 373-379.

The following bromobismuthates of organic cations (dipyridinoalkane derivatives) are synthesized and characterized: (4-NH2PyC5)BiBr5 (I), (2-MePyC2)BiBr5 (II), (2-NH2PyC10)BiBr5 center dot 0.65H(2)O (III), (2-NH2PyC10)(4)H5O2(BiBr6)(3) (IV), (2-NH2PyD6)(2)KBi2Br11 (V), (2-NH2PyC6)H3OBiBr6 center dot 2.33H(2)O (VI), and (2-NH2PyC6)(3)(BiBr6)(2) center dot CH3CN (VII). Three compounds obtained (I-III) contain the zigzag 1D chain (BiBr5) (n) . A new type of 1D chains, (KBi2Br11) (n) , is found in the structure of compound V. Pseudo-1D chains of BiBr6 (3-) anions can be observed in the 3D structures of compounds IV, VI, and VII. The crystallographic data were deposited with the Cambridge Crystallographic Data Centre (CIF files CCDC 1569478 (I)-1569484 (VII), respectively)

Added: Oct 17, 2018
Article
Minyaev M. E., Dmitrii M. Roitershtein, Vinogradov A. A. et al. Acta Crystallographica Section E: Structure Reports Online. 2018. Vol. E-74. P. 1058-1062.

The title compounds, C9H12O6 and C10H14O6, were formed by careful hydrolysis of the corresponding diethyl esters. Their single crystals were grown from an ethyl acetate/hexane mixture. Crystals of both compounds have monoclinic (P21) symmetry with a single molecule in the asymmetric unit. Both crystal structures are very similar and display four –CO—OH  O C(OH)– hydrogen bonds, forming a two-dimensional double-layered framework.

Added: Feb 17, 2019
Article
Galenko E. E., Galenko A. V., Novikov M. S. et al. ChemistrySelect. 2017. Vol. 2. No. 25. P. 7508-7513.

New β‐diazopyrrole and β‐triazenylpyrrole derivatives were synthesized from isoxazoles and pyridinium salts in two and three steps, respectively. The apoptotic/necrotic difference for these compounds was estimated on THP‐1 cell line. The most effective of the panel is methyl 3‐diazo‐2‐(2,4‐dimethylphenyl)‐4‐phenyl‐3H‐pyrrole‐5‐carboxylate which demonstrated cytotoxic activity from the lowest concentration of 3.3 μM with a steep rise of the apoptotic effect and the largest apoptotic/necrotic difference within the range of 3.3 to 33 μM. Moreover, this diazopyrrole showed the highest sum total of apoptotic and necrotic AUCs within the same low range of concentrations. Methyl 2‐(4‐bromophenyl)‐3‐diazo‐4‐(3‐methoxyphenyl)‐3H‐pyrrole‐5‐carboxylate and methyl 5‐(4‐bromophenyl)‐3‐(3‐methoxyphenyl)‐4‐(piperidin‐1‐yl/morpholin‐4‐yldiazenyl)‐1H‐pyrrole‐2‐carboxylates were found to be quite promising compounds which deserve further cytophysiological and mechanistic research using different cell lines.

Added: Jun 25, 2019
Article
Matveeva S. G., Shushakov A. A., Pozdnyakov I. P. et al. Photochemical and Photobiological Sciences. 2018. Vol. 17. No. 9. P. 1222-1228.

It is known that both cis,fac-[RuCl2(DMSO)(3)(H2O)] (1a) and trans,cis,cis-[RuCl2(DMSO)(2)(H2O)(2)] (2a) complexes, which are formed on the dissolution of trans and cis-isomers of [RuCl2(DMSO)(4)] in water, demonstrate light-induced anticancer activity. The first stage of 1a photochemistry is its transformation to 2a occurring with a rather high quantum yield, 0.64 +/- 0.17. The mechanism of the 1a 2a phototransformation was studied by means of nanosecond laser flash photolysis and ultrafast pump-probe spectroscopy. The reaction occurs in the picosecond time range via the formation and decay of two successive intermediates interpreted as Ru(ii) complexes with different sets of ligands. A tentative mechanism of phototransformation is proposed.

Added: Oct 31, 2018
Article
Vitalii Yu. Kotov, Ilyukhin A. B., Birin K. P. et al. New Journal of Chemistry. 2016. Vol. 40. No. 12. P. 10041-10047.

A new organic inorganic hybrid material (C15H14N4)BiBr5 center dot H2O with an optical band gap of 2.24 eV, having 1-D chains of bromobismuthate anions in its composition, has been obtained from an aqueous solution and characterized. The partial replacement of Br by I resulted in the formation of a thermally stable (<155 degrees C) black compound (C15H14N4)BiBrI4 center dot H2O with an optical band gap of 1.70 eV, which can be proposed as a promising light-harvesting material for dye-sensitized solid-state solar cells. Further replacement of Br by I results in the formation of red-orange colored (C15H14N4)BiI5 with a band gap of 2.10 eV.

Added: Oct 17, 2018
Article
Terpilowski M., Khmelevskoy D. A., Shchegolev B. F. et al. Biofizika. 2019. Vol. 64. No. 3. P. 374-380.

Red blood cells of rats were exposed to the earth’s magnetic field and an attenuated magnetic field in the presence of tert-butyl hydroperoxide to induce oxidative stress. Spectral analysis within the wavelength range of 500–700 nm was used to estimate the concentration of three forms of hemoglobin: oxyhemoglobin, methemoglobin, and hemichrome, released during erythrocyte hemolysis. The concentration of reactive oxygen species was determined in samples by spin trapping using electron paramagnetic resonance. It was found that after 4 h of incubation at high tert-butyl hydroperoxide concentrations (>700 μM), red blood cells that were exposed to an attenuated magnetic field released considerably more (p < 0.05) hemoglobin, mostly methemoglobin. After 24 h of incubation at low tert-butyl hydroperoxide concentrations (≤350 μM), erythrocytes that were exposed to the earth’s magnetic field released relatively more (p < 0.001) hemoglobin, with methemoglobin as a major form of total hemoglobin. Red blood cells exposed to the attenuated magnetic field generated more oxygen radicals than cells exposed to the earth’s magnetic field. Under certain oxidative stress conditions, the attenuated magnetic field can impair the functional state of red blood cells and provoke cell death. However, low concentrations of reactive oxygen species can neutralize attenuated magnetic field effects.

Added: Sep 4, 2019
Article
Golubenko D. V., Karavanova Y. A., Melnikov S. S. et al. Journal of Membrane Science. 2018. Vol. 563. P. 777-784.

This paper addresses hybrid ion exchange membranes fabricated by the synthesis of amorphous zirconium phosphate (dopant contents from 0.5 to 24 wt%) directly in the pore and channel system of heterogeneous cation-exchange membrane RALEX® CM (by in situ technique). The incorporation of zirconium phosphate nanoparticles into the membrane system of pores and channels leads to the displacement of the pore water. As a result, the cation transport numbers increase. The hybrid materials thus obtained are characterized by increased ionic resistance and enhanced monovalent ion selectivity. The former effect was eliminated by fabrication of a surface-modified membrane. The relative simplicity of modification, together with the benefits of the hybrid materials make them promising for some membrane processes. Using 31P MAS NMR and elemental analysis, considerable difference between the zirconium phosphate composition inside and outside the membrane was found.

Added: Jan 9, 2019
Article
Roitershtein D., Savchenko M. S., Lyssenko K. A. et al. New Journal of Chemistry. 2017. Vol. 41. P. 13663-13672.
Added: Oct 19, 2018
Article
Heindl C., Peresypkina E., Virovets A. V. et al. Angewandte Chemie - International Edition. 2017. Vol. 56. No. 43. P. 13237-13243.

Pentaphosphaferrocenes [CpRFe(η5-P5)] (1) and CuI halides are excellent building blocks for the formation of discrete supramolecules. Herein, we demonstrate the potential of Cu(CF3SO3) for the construction of the novel 2D polymer [{Cp*Fe(μ4,η5:1:1:1-P5)}{Cu(CF3SO3)}]n (2) and the unprecedented nanosphere (CH2Cl2)1.4@[{CpBnFe(η5-P5)}12{Cu(CF3SO3)}19.6] (3). The supramolecule 3 has a unique scaffold beyond the fullerene topology, with 20 copper atoms statistically distributed over the 30 vertices of an icosidodecahedron. Combinatorics was used to interpret the average disordered structure of the supramolecules. In this case, only two pairs of enantiomers with D5 and D2 symmetry are possible for bidentate bridging coordination of the triflate ligands. DFT calculations showed that differences in the energies of the isomers are negligible. The benzyl ligands enhance the solubility of 3, enabling NMR-spectroscopic and mass-spectrometric investigations.

Added: Oct 12, 2019
Article
Gordievskaya Y., Budkov Y., Kramarenko E. Soft Matter. 2018. Vol. 14. P. 3232-3235.

The effect of an interplay between electrostatic and excluded volume interactions on the conformational behavior of a dipolar chain has been studied theoretically and by means of molecular dynamics simulations. Every monomer unit of the dipolar chain comprises a dipole formed by a charged group of the chain and an oppositely charged counterion. The counterion is assumed to freelymove around the chain but keeping the distance between oppositely charged ions (the dipole length) fixed. The novelty of the developed mean-field theory is that variations of the dipole parameters (the dipole length and the counterion size) have been accounted for in both electrostatic and excluded volume contributions to the total free energy of the dipolar chain. It has been shown that conformational transitions between swollen and collapsed states of the chain can be induced by fine-tuning the balance between electrostatic and excluded volume interactions. In particular, in lowpolar media not only globule but also extended coil conformations can be realized even under strong electrostatic attraction. The results ofMD simulations of a dipolar chain with variable dipolar length support theoretical conclusions.

Added: Apr 23, 2018
Article
Kuchuk E., Muratov K., Perekalin D. et al. Organic and Biomolecular Chemistry. 2019. Vol. 17. P. 83-87.

A new class of anthracene complexes with a metal coordinated at the central ring was applied in catalysis for the first time. As a result, a simple and efficient protocol for reductive amination that involves CO as a reducing agent has been developed. The rhodium complex [(cyclooctadiene)Rh(C10H4Me2(OMe)4)]+ (1 mol%) catalyses such reactions under mild conditions (40–130 °C) and produces a variety of amines in good yields (74–95%) without affecting the functional groups. The protocol is acceptable for all combinations of aldehydes (aromatic and aliphatic), ketones (aromatic and aliphatic) and amines (aromatic and aliphatic; primary and secondary).

Added: Jun 26, 2019
Article
Зелина Е., Неволина Т., Скворцов Дмитрий et al. Journal of Organic Chemistry. 2019. P. 1-15.

A straightforward protocol toward pharmacologically relevant (het)areno[x,y-b]pyrrolo[1,2-d][1,4]diazepines in good-to-high yields has been described. The designed approach consists of an acid-promoted furan ring opening in easily accessible N-(2- furylethyl)-2-nitroanilines or their heterocyclic analogues followed by the reductive cyclization of the corresponding nitro-1,4-diketones.

Added: Oct 1, 2019
Article
Roitershtein D., Minyaev M. E., Komarov P. D. et al. Organometallics. 2019. Vol. 38. No. 15. P. 2892-2901.

Complexes [(1,2,4-Ph3C5H2)2NdCl2K(THF)2]2 (Nd1), {[1,2-Ph2-4-(4-MeOC6H4)C5H2]2NdCl2K(THF)2}2 (Nd2), {[1,2-Ph2-4-(2-MeOC6H4)C5H2]2NdCl2[K(THF)4]}(THF)0.5 (Nd3), and [(1,2,4-Ph3C5H2)2TbCl2K]2 (Tb1) have been synthesized, studied by X-ray diffraction analysis, and used in coordinative chain transfer polymerization (CCTP) of ethylene upon activation by alkyl magnesium derivatives. The complexes Nd1 and Tb1 exhibiting similar molecular structures and the same core type have demonstrated similar catalytic activities. Two types of alkylating/chain transfer agents, namely, di-n-butyl magnesium and heteroleptic complex (BHT)Mg(THF)2nBu Mg1 (BHT = 2,6-di-tert-butyl-4-methylphenoxide), have been studied in this reaction. We have found that (BHT)Mg(PE) products (PE is an oligoethylene chain) are being formed at a relatively high rate while using Mg1 at 40 °C in the solution polymerization of ethylene; the oligomeric products comprise more than 40 ethylene fragments, unlike Mg(PE)2 derivatives, which are obtained from MgnBu2 and contain about 20 ethylene fragments. Luminescence spectroscopy study of the reaction mixtures, while initiating the complex Tb1 by MgnBu2 or Mg1, confirmed the structural proximity and high symmetry of the catalytic complexes for both types of Mg reagents. These experimental results reaffirmed the hypothesis about the CCTP mechanism, suggesting the formation of trinuclear LnMg2 catalytic species. Within this mechanism, we can explain the increase in the polymerization degree (Pn) when Mg1 is used by growing a single oligoethylene chain (PE) per a Mg atom to form (μ-BHT)2Mg2(PE)2 species, whereas application of MgnBu2 provides the growth of two PE chains to form the Mg2(PE)4 product with lower solubility.

Added: Aug 13, 2019
Article
Budkov Y. Journal of Physics: Condensed Matter. 2019.

In this paper, we formulate a field-theoretical model of dilute salt solutions of electrically neutral spherical colloid particles. Each colloid particle consists of a 'central' charge that is situated at the center and compensating peripheral charges (grafted to it) that are fixed or fluctuating relative to the central charge. In the framework of the random phase approximation, we obtain a general expression for electrostatic free energy of solution and analyze it for different limiting cases. In the limit of infinite number of peripheral charges, when they can be modelled as a continual charged cloud, we obtain an asymptotic behavior of the electrostatic potential of a point-like test charge in a salt colloid solution at long distances, demonstrating the crossover from its monotonic decrease to damped oscillations with a certain wavelength. We show that the obtained crossover is determined by certain Fisher-Widom line. For the same limiting case, we obtain an analytical expression for the electrostatic free energy of a salt-free solution. In the case of nonzero salt concentration, we obtain analytical relations for the electrostatic free energy in two limiting regimes. Namely, when the ionic concentration is much higher than the colloid concentration and the effective size of charge cloud is much bigger than the screening lengths that are attributed to the salt ions and the central charges of colloid particles. The proposed theory could be useful for theoretical description of the phase behavior of salt solutions of metal-organic complexes and polymeric stars.

Added: Oct 12, 2019
Article
Cruchter T., Медведев М. Г., Shen X. et al. ACS Catalysis. 2017. Vol. 7. No. 8. P. 5151-5162.

Herein, we report about the design, synthesis, and application of a nucleophilic octahedral chiral-only-at-metal iridium(III) complex. We demonstrate that the enantiopure form of this complex serves as an efficient catalyst for the asymmetric Steglich rearrangement of O-acylated azlactones (up to 96% ee and 99% yield) and the related asymmetric Black rearrangement of O-acylated benzofuranones (up to 94% ee and 99% yield). We provide insight into the mechanisms of these two acyl migration reactions and the catalyst’s manner of chiral recognition with crystal structures of the active catalyst and a catalysis intermediate analog, as well as with quantum chemical calculations based on them. Furthermore, we demonstrate that the presented catalyst also efficiently catalyzes the asymmetric reaction between aryl alkyl ketenes and 2-cyanopyrrole to give the corresponding α-chiral N-acyl pyrroles (up to 95% ee and 99% yield).

Added: Oct 12, 2019
Article
Runikhina S., Usanov D., Chizhov A. et al. Organic Letters. 2018. Vol. 20. No. 24. P. 7856-7859.

We developed a ruthenium-catalyzed reductive ester synthesis from aldehydes or ketones and carboxylic acids using carbon monoxide as a deoxygenative agent. Multiple factors influencing the outcome of the reaction were investigated. Best results were obtained for commercially available and inexpensive benzene ruthenium chloride; as low as 0.5 mol % of the catalyst is sufficient for efficient reaction. Competitive studies demonstrated that the presence of even 1000 equiv of alcohol in the reaction mixture does not lead to the corresponding ester, which clearly indicates that the process is not a simple reductive esterification but a novel type of Ru-catalyzed redox process.

Added: Jun 25, 2019
Article
Vitalii Yu. Kotov, Ilyukhin A. B., Sadovnikov A. A. et al. Mendeleev Communications. 2017. Vol. 27. No. 3. P. 271-273.

A new organic-inorganic hybrid material composed of O-D bromobismuthate anions and bis(4-cyano-1-pyridino)pentane cations was synthesized and characterized. The replacement of Br with I resulted in a decrease in the optical band gap from 2.88 eV for (C17H18N4)(2)Bi2Br10 to 1.59 eV for (C17H18N4)BiI5. Thus, (C17H18N4)BiI5 can be proposed as a candidate material for solid state solar cells.

Added: Oct 17, 2018
Article
Vitalii Yu. Kotov, Ilyukhin A. B., Korlyukov A. A. et al. New Journal of Chemistry. 2018. Vol. 42. No. 8. P. 6354-6363.

Three hybrid 1,1'-(1,n-alkanediyl)bis(4-methylpyridinium) iodobismuthates 1 - 3  were prepared by a facile solution route and showed thermal stability in air up to 230°C. The structures of solid 1 and 3 contain zero-dimensional anions, and the structure of 2 contains one-dimensional linear anionic chains [BiI5]n2n-. Photoluminescence (PL) in the spectral range between 600 and 750 nm was observed for 1 and 2. DFT calculations and optical studies confirmed that compounds 13 are semiconductors with band gaps of 1.73−2.10 eV, which corresponds with their intense black (for 2) or red (for 1 and 3) colors. The optical absorption of 2 in the red spectral range is primarily due to charge transfer from the I5p orbitals at the top of the valence band to the Bi6p orbitals at the bottom of the conduction band.

Added: Oct 17, 2018
Article
Chusov D., Tsygankov A., Makarova M. Mendeleev Communications. 2018. Vol. 28. No. 2. P. 113-122.

Carbon monoxide as an example of reducing agent, in contrast to classical reducing agents (hydrogen and metal hydrides), can provide very high atom precision for reductive addition of substrates with various functional groups. This enables synthesis of new compounds with unique structures and properties.

Added: Jun 26, 2019
Article
Bonnefont A., Ryabova A. S., Schott T. 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. This short review discusses challenges facing researchers seeking to understand electrocatalysis of the oxygen reduction reaction on transition metal oxides.

Added: Jun 2, 2019
Article
Medvedev M., Novikov F., Bushmarinov I. et al. Mendeleev Communications. 2017. Vol. 27. No. 5. P. 500-502.

Investigation of charge delocalization (redistribution) in a SpnF-catalyzed reaction that proceeds through overlapping Diels–Alder and bis-pericyclic mechanisms has shown that it is better represented as a nonpolar cycloaddition rather than a cationic rearrangement.

Added: Nov 7, 2018