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Nucleophilic ring opening of imidazolone activated donor–acceptor cyclopropanes with alcohols
Mendeleev Communications. 2021. Vol. 31. No. 5. P. 657–658.
Ikonnikova V., Zhigileva E., Kuleshov A., Shirokova V., Baranov M., Mikhaylov A. A.
Imidazolone-activated donor–acceptor cyclopropanes
undergo alcohol-assisted ring opening under the co-action of
p-toluenesulfonic acid. Under the optimized conditions,
cyclopropanes and alcohols are coupled in 1,3-fashion with
the retention of heterocyclic fragment. Substrates with
aromatic donor groups provide the addition products in
75–99% yields as mixtures of two diastereomers.
Садртдинова Г. И., Nifantiev I., Vinogradov A. et al., Russian Chemical Reviews 2025 Vol. 94 No. 9 P. 1 – 55
The reactivity of polar vinyl monomers, unsaturated compounds containing functional groups, depends on the presence or absence of conjugation between the C=C bond and the neighbouring unsaturated moieties or donor heteroatoms. Conjugated polar vinyl monomers (acrylates, vinyl ethers, etc.) (co)polymerize upon free-radical initiation. The reaction is widely used to produce numerous polymer materials that qualitatively differ ...
Added: May 12, 2026
Ilya Nifant’ev, Komarov P., Guzelia Sadrtdinova et al., Polymers 2024 Vol. 16 No. 5 Article 681
Silica-supported chromium oxide catalysts, also named Phillips chromium catalysts (PCCs), provide more than half of the world’s production of high- and medium-density polyethylenes. PCCs are usually prepared in the Cr(VI)/SiO2 form, which is subjected to reductive activation. It has been explicitly proven that CO reduces Cr(VI) to Cr(II) species that initiate ethylene polymerization; ethylene activates ...
Added: May 12, 2026
Гущина В. А., Russian Journal of Inorganic Chemistry 2024 Vol. 69 No. 6 P. 940–948
Currently, ABX3 nanoparticles (NPs) based on lead halides attract the attention due to their unique optical properties and a wide range of applications. The preparation of NPs with lead as a partial or complete replacement is particularly interesting because of the toxicity of this chemical element and most of its compounds. In this study, we propose a ...
Added: May 6, 2026
Krasnov L., Malikov D., Kiseleva M. et al., Journal of Medicinal Chemistry 2026 Vol. 69 No. 8 P. 8838–8851
In this work, we developed a straightforward data-driven approach to predict the cytotoxicity of metal complexes based entirely on their (metal + ligands) composition. To this end, we have manually curated MetalCytoToxDB─a comprehensive experimental database comprising 26,500 IC50 values for 7050 metal complexes against 754 cell lines from 1921 articles. Based on these, machine learning ...
Added: April 23, 2026
Novikov A., Inorganic Chemistry Communications 2026 Article 116670
The reaction of copper(I) phenylacetylide [PhC ≡ CCu]n with the 2-pyridylphosphines (tBu2PyP and Ph2PyP) offers a straightforward route to structurally diverse clusters. With tBu2PyP, a trinuclear cluster [Cu3(C ≡ CPh)3(tBu2PyP)3] featuring a Cu3 triangular was isolated. Surprisingly, the reaction of [PhC ≡ CCu]n with Ph2PyP yields two isomeric clusters [Cu4(C ≡ CPh)4(Ph2PyP)4] with tetrahedral or zigzag-arranged Cu4 cores. Upon prolonged storage in acetonitrile, the tetrahedral Cu4 cluster converts to ...
Added: April 22, 2026
Kopoleva E., Sergey A. Tsymbal, Kuchur O. et al., Drug Delivery and Translational Research 2026 P. 1–16
Multidrug resistance (MDR) remains one of the principal challenges in cancer chemotherapy, necessitating new strategies to restore drug efficacy. In this study we developed and characterize a redox-responsive nanoplatform based on trithiocyanuric acid and polyethylene glycol (TTCA-PEG NPs) as a potential tool to overcome MDR and provide a biocompatible delivery system for conventional antitumor drugs. ...
Added: April 20, 2026
Khramtsova E. E., A. S. Novikov, Dmitriev M. V., Russian Journal of Organic Chemistry 2026 Vol. 62 Article 12
The dipolar [3+2]-cycloaddition reactions of 3-aroylpyrrolo[2,1-c][1,4]benzothiazine-1,2,4-triones with diarylnitrones lead to the formation of benzo[b]isoxazolo[5',4':2,3]pyrrolo[1,2-d][1,4]thiazines. The reac- tion proceeds stereoselectively to form exclusively the (2aS*,3R*,5aS*) diastereomers. Density functional theory computations for the model reaction showed that the (2aS*,3R*,5aS*) diastereomers are both kinetically and thermodynamically preferred over the alternative (2aS*,3S*,5aS*) diastereomers. At room temperature in solution, the ...
Added: April 19, 2026
Doronin S. V., Budkov Y., Current Opinion in Electrochemistry 2026 Vol. 57 Article 101853
The electric double layer (EDL) governs charge distribution at electrode–electrolyte interfaces, controlling reaction kinetics and energy storage performance. This mini review surveys the evolution of EDL theory—from the classical Gouy-Chapman-Stern framework to modern coupled quantum-continuum schemes that integrate electronic structure with statistical mechanics. We show how modified Poisson–Boltzmann (mPB) formu-lations incorporating finite ion size, dielectric ...
Added: April 19, 2026
Makarov D. M., Kalikin N., Gurikov P. et al., Journal of Supercritical Fluids 2026 Vol. 235 Article 106979
Supercritical CO2 (scCO2 ) is an environmentally friendly solvent, but its low polarity limits the solubility of polar compounds. Cosolvents are commonly used to enhance solvation capability, yet comprehensive datadriven studies are scarce. We compiled the largest dataset to date — 4401 experimental solubility records with 22 cosolvents for 93 nonionic solutes, plus 4855 records ...
Added: April 19, 2026
Nikolai N. Kalikin, Petr E. Brandyshev, Yury A. Budkov, Journal of Chemical Physics 2026 Vol. 164 No. 15 Article 154904
This study presents a mean-field theory for zwitterionic polymer solutions confined within attractive slit-like nanopores. Building upon our prior model for self-coacervation [Budkov et al., Soft Matter 19, 3281–3289 (2023)], we demonstrate that strong electrostatic dipole–dipole correlations between monomeric units, coupled with attraction to pore walls, can induce capillary-driven liquid–liquid phase separation inside the pore—a ...
Added: April 18, 2026
Metlina D., Metlin M., Korshunov V. et al., Dalton Transactions 2025 Vol. 54 No. 9 P. 3812–3826
We synthesized and investigated a new series of Sm3+ 1,3-diketonate complexes with CnF2n+1-homologous thiophene-containing ligands. A clear correlation was found between the number of fluorine atoms in the 1,3-diketone's carbon chain and the luminescent properties of the samarium(III) complexes. The ligand modification method employed facilitates targeted and significant enhancements in the photoluminescence quantum yield (PLQY). ...
Added: March 24, 2026
Polikovskiy T., Gontcharenko V., Korshunov V. et al., Materials Chemistry Frontiers 2025 Vol. 9 No. 23 P. 3443–3459
Conventional thermal sensors often face limitations due to their reliance on direct contact and restricted measurement ranges, leading to the emergence of novel techniques like luminescence thermometry. However, sensitivity of luminescent thermometers is limited by the only used Boltzmann-based Mott–Seitz model, which is imperfect. To overcome this, we complemented Mott–Seitz model applying machine learning algorithms, ...
Added: March 24, 2026
Chowde Gowda C., Alexey Kartsev, Tiwari N. et al., Small 2024 Vol. 20 No. 47 Article 2405197
A vast majority of electrical devices have integrated magnetic units, which generate constant magnetic fields with noticeable vibrations. The majority of existing nanogenerators acquire energy through friction/mechanical forces and most of these instances overlook acoustic vibrations and magnetic fields. Magnetic two-dimensional (2D) tellurides present a wide range of possibilities for devising a potential flexible energy ...
Added: March 16, 2026
Chowde Gowda C., Alexey Kartsev, Tiwari N. et al., Journal of Materials Chemistry C 2024 Vol. 12 No. 46 P. 18691–18703
Two-dimensional (2D) chromium telluride Cr2Te3 exhibits strong ferromagnetic ordering with high coercivity at low temperatures and paramagnetic behavior when approaching room temperature. The spin states of monolayer Cr2Te3 show ferromagnetic ordering in the ground state. In situ Raman analysis reveals a reversible structure transformation and hence proves ferromagnetic to paramagnetic transition during low-temperature heating cycles (0–25 °C). The magnetic ...
Added: March 16, 2026
Xu Z., Guo Z., Zhang P. et al., Journal of Materials Chemistry A 2025 Vol. 13 No. 41 P. 35284–35291
GeTe is a promising mid-temperature thermoelectric material that exhibits excellent thermoelectric performance. However, the rhombohedral-to-cubic phase transition occurring near 700 K causes a change in the coefficient of thermal expansion, leading to internal stresses in the device and affecting its working efficiency. In this work, we reported the alloying of Ge0.81Mn0.15Bi0.04Te with AgSbTe2 to further reduce ...
Added: March 16, 2026
Лебедев И. С., Кудрявцев А. В., Карцев А. И. et al., Журнал радиоэлектроники 2025 № 11 Статья 30
n this paper, the effect of doping on the electronic and magnetic properties of a monolayer compound Cr(ClxF1-x)3 is studied based on a first-principles calculation. The densities of electronic states, the values of the band gap, the constants of the crystal lattice and the difference in total energies for ferromagnetic and antiferromagnetic configurations at different mutual ...
Added: March 16, 2026
Shchetinin I., Nikolenko P., Nizamov T. et al., Ceramics International 2026 Vol. 52 No. 3 P. 3500–3511
In this work, we comprehensively investigated the influence of Indium doping on the structure, magnetic and functional properties of strontium M-type hexaferrites SrFe12-xInxO19 nanoparticles (where x = 1.7, 1.8, 2.0). Colloidally stable SrFe12-xInxO19 nanoparticles (∼10 nm) were synthesized using a combination of the citrate method and high-energy ball milling. We demonstrate that doping reduces both the specific saturation magnetization and, ...
Added: March 16, 2026
Starkov V., Gosteva E., Alexey Kartsev et al., Molecules 2026 Vol. 31 No. 3 Article 499
This paper demonstrates the results of constructive technological research on the development of a catalyst with a Ni/PSi@Pt structure. This catalyst eliminates the use of gold in the structure of μ-FC electrodes. This work uses the main technological solutions for the formation of a gold-containing “core–shell” structure on the inner surface of pores. Comparative data ...
Added: March 16, 2026
Ilin E., Frolov N., Seferyan M. et al., Bioorganic Chemistry 2025 Vol. 167 Article 109175
The ongoing rise of resistant bacterial pathogens poses a significant threat to current antibacterials' effectiveness putting millions of people's lives at risk. However, modern machine learning (ML) tools promise to tip the scales in the never-ending development of antimicrobial agents' pipelines. Herein we present a novel approach for quaternary ammonium compounds (QACs) antibacterial activity prediction ...
Added: March 16, 2026
Mitin D. M., Pavlov A., Fedorov F. S. et al., Sensors and Actuators, B: Chemical 2024 Vol. 417 Article 136095
We report the approach to designing the hybrid gas sensor based on the array of vertically-oriented InAs nanowires and gas-permeable film made of single-walled carbon nanotubes (SWCNTs). We probe the sensor performance at room temperature towards isopropyl alcohol analyte, whose highest occupied molecular orbital energy to be in-between the Fermi levels of SWCNTs and InAs, to check the main contributing mechanism. Our theoretical analysis revealed ...
Added: January 30, 2025
Evgeniya Podyacheva, Afanasyev O., Vasilyev D. et al., ACS Catalysis 2022 Vol. 12 No. 12 P. 7142–7198
Borrowing hydrogen or the hydrogen autotransfer amination is a powerful approach to create single C–N bonds, starting from stable and readily available substrates: amines and alcohols. It is considered as one of the most atom-efficient and green methods to synthesize complex amines. Herein, we attempted to arrange the array of the existing data in a ...
Added: September 6, 2022
Mikhaylov A. A., Novikov R., Khomutova Y. et al., Synlett 2014 Vol. 25 No. 16 P. 2275–2280
1,1-Cyclopropane diesters with donor substituents undergo formal [3+3] cycloaddition with various silyl nitronates under Yb(OTf)3 catalysis in the presence of a proton scavenger to give target N-silyloxy tetrahydro-1,2-oxazines in 56–98% yield. The reasons determining the reaction diastereoselectivity are discussed. The resulting tetrahydro-1,2-oxazines are transformed into pyrroline-N-oxides via a novel TfOH-promoted silanol elimination reaction. ...
Added: September 30, 2020
Mikhaylov A. A., Dilman A., Novikov R. et al., Tetrahedron Letters 2016 Vol. 57 No. 1 P. 11–14
The first successful synthesis of 1H-2,3-benzoxazine 3-oxides has been described. The efficiency of the approach is provided by the C–C-coupling of 2-(2-bromoaryl)cyclopropane-1,1-dicarboxylates with primary nitroalkanes catalyzed by Pd(dba)2/JohnPhos system followed by in situ recyclization of the intermediates. Several representative transformations allowing selective modification of the nitronate as well as malonate functionalities in the resulting compounds are demonstrated. ...
Added: September 30, 2020
Kuleshov A., Solyev P., Volodin A. et al., Chemistry of Heterocyclic Compounds (Latvia) 2020 Vol. 56 No. 1 P. 108–111
4-Arylidene-1H-imidazol-5(4H)-ones react with N-benzylazomethine methylide under trifluoroacetic acid catalysis to form 9-aryl-1,3,7- triazaspiro[4.4]non-1-en-4-ones in 66–95% yields as one diastereomer in each case. ...
Added: September 29, 2020