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Investigation of the photochemical behavior of allomaltol-containing 2-aminothiazole derivatives
Organic and Biomolecular Chemistry. 2025. Vol. 23. No. 17. P. 4172–4185.
Migulin A. V., MIlyutin C V, Lichitsky B. V., Korobkov S. M., Komogortsev A. N.
In the present communication, a comprehensive study of the photochemical behavior of terarylenes with a 2-aminothiazole bridge unit and an allomaltol substituent was performed. It was shown that for the considered substrates, two types of photoprocesses can be realized. By controlling the structure of the starting material, the photoprocess can be directed toward the 6π-electrocyclization of the 1,3,5-hexatriene system or the ESIPT-induced contraction of the pyranone ring. Relying on data from DFT calculations and UV-vis spectroscopy, the key features of the observed phototransformations were discussed. The investigated thiazole-containing terarylenes were utilized as a scaffold for the construction of photoacid generators (PAGs). Based on the performed research, a synthetic methodology was developed leading to series of 23 novel polycyclic photoproducts and a set of thiazole-containing salts with a quinoxaline part.
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
Telegina L., Strelkova T., Ezernitskaya M. et al., Journal of Organometallic Chemistry 2020 Vol. 926 Article 121465
A series of 3-cymantrenylalkylisothioureas (2) was synthesized. DFT calculations showed that
compounds 2 in solutions are dimers. The photolysis of 2 was studied by IR, UV-vis and NMR spectroscopic
methods. Irradiation of compounds 2 results in the formation of two type chelates, in which the manganese atom is
coordinated to the S (3) or N (4) atoms of ...
Added: March 6, 2021
Фельдман В. И., Рязанцев С. В., Каменева С. В., Russian Chemical Reviews 2021 Vol. 90 P. 1145–1165
Recent progress in observational astronomy and astrophysics has stimulated the intensive laboratory studies aimed at elucidation of the mechanisms of evolution of molecular matter in interstellar space and various space objects. One of the most intriguing and rapidly developing areas of these studies is the so-called "cold astrochemistry" devoted to the complex processes occurring in ...
Added: February 28, 2021
Glebov E., Bakulina O. D., Shushakov A. A. et al., Mendeleev Communications 2020 Vol. 30 No. 3 P. 322–324
The photophysical and photochemial properties of dipyrido[3,2-a:2′,3′-c]phenazine (dppz) in acetonitrile have been investigated by laser flash photolysis and ultrafast pump-probe spectroscopy. The excitation of dppz to the first singlet excited state was followed by vibrational cooling with solvent relaxation for ∼3 ps and then intersystem crossing for ∼50 ps. Spectral and kinetic characteristics of the triplet excited ...
Added: January 18, 2021
Glebov E., Pozdnyakov I., Semionova V. V. et al., Mendeleev Communications 2020 Vol. 30 No. 1 P. 61–63
Early processes in photochemistry of 2,3-bis(2,5-dimethylthiophen-3-yl)cyclopent-2-enone were explored using the ultrafast pump-probe spectroscopy. The photocyclization occurs from the antiparallel conformation of an open form on a time scale of 7 ps, while the parallel conformation exhibits an intersystem crossing within 130 ps. The mechanism and timescales were revealed as typical of other thiophene-containing diarylethenes. ...
Added: January 18, 2021
Shushakov A. A., Matveeva S. G., Pozdnyakov I. et al., Photochemical and Photobiological Sciences 2020 Vol. 19 P. 1222–1229
It is known that trans,cis,cis-[RuCl2(DMSO)2(H2O)2] (1a) complexes, which are formed upon dissolution of trans-[RuCl2(DMSO)4] in water, demonstrate light-induced cytotoxicity. The mechanistic study of 1a photochemistry has been performed using ultrafast pump–probe spectroscopy, laser flash photolysis and stationary photolysis. The first stage of 1a photochemistry is the photoexchange of a DMSO ligand to a water molecule; its quantum yield is wavelength-dependent (estimating ...
Added: January 18, 2021