Russian Journal of General Chemistry最新文献_第2页

Synthesis, Structure and Modeling of Antitumor Activity of Cu(II) Complexes Based on Acenaphthenequinone Bis-Pyrimidylhydrazone 苊醌双嘧啶腙类Cu（II）配合物的合成、结构及抗肿瘤活性模拟

IF 1 4区化学

Russian Journal of General Chemistry Pub Date : 2026-09-30 DOI: 10.1134/S1070363226601882

Andrey D. Domchenkov, Yulia P. Tupolova, Leonid D. Popov, Ilvia A. Levitskaya, Viktor D. Nekrasov, Elmira B. Kaimakan, Vladimir A. Lazarenko, Pavel A. Knyazev, Igor N. Shcherbakov

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Modern Approaches to the Synthesis of Azo Derivatives of CH-Acids (Mini-Review) ch -酸偶氮衍生物的现代合成方法（综述）

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Russian Journal of General Chemistry Pub Date : 2026-09-25 DOI: 10.1134/S1070363226602036

Nikolai O. Sonin, Elizaveta V. Bulgakova, Dmitry M. Egorov

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Synthesis, Structure, and Antimicrobial Activity of Tetrahydrochromeno[2,3-d]pyrimidine Derivatives 四氢色[2,3-d]嘧啶衍生物的合成、结构及抗菌活性研究

IF 1 4区化学

Russian Journal of General Chemistry Pub Date : 2026-09-25 DOI: 10.1134/S1070363226602097

Elena S. Makarova, Anastasia M. Uryadova, Sergey I. Filimonov, Anna A. Romanycheva, Anton A. Shetnev

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Design of Myricetin Oxygen Bridged Molecular Materials and Their Performance in Adsorption of Hydroxyl Radical 杨梅素氧桥分子材料的设计及其对羟基自由基的吸附性能

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Russian Journal of General Chemistry Pub Date : 2026-09-25 DOI: 10.1134/S1070363226603145

Dongmei Luo, Wenzhang Li, Tianyao Fu, Jinmu Wu, Qiuyu Zhang

{"title":"Design of Myricetin Oxygen Bridged Molecular Materials and Their Performance in Adsorption of Hydroxyl Radical","authors":"Dongmei Luo, Wenzhang Li, Tianyao Fu, Jinmu Wu, Qiuyu Zhang","doi":"10.1134/S1070363226603145","DOIUrl":"10.1134/S1070363226603145","url":null,"abstract":"The direct bridging of Myricetin (MYR) molecules via oxygen atom to construct molecular adsorbents for hydroxyl radical (•OH) scavenging have been designed herein. Density functional theory (DFT) calculations were performed on B3LYP, M062X, PBE0, and WB97XD levels to systematically investigate O-bridged MYR-based molecular adsorbents. Full geometry optimization, interaction energy, Mulliken charge population, and frontier molecular orbital analysis were carried out across five candidate phenolic hydroxyl sites (C52, C56, C54, C42, and C33) to comprehensively evaluate their •OH adsorption and scavenging performance. The results indicated that surface phenolic hydroxyl group donates its hydrogen atom to •OH to get H2O while the adsorbent itself is oxidized to a carbonyl group. No secondary pollution is generated from the scavenger to the products. Sites C56 and C54 were identified as universally efficient active sites, exhibiting excellent performance across all bridging systems and computational levels, with C–O bond lengths markedly shortened from approximately 1.36 Å (single bond) to approximately 1.25 Å (double bond), negative ΔG values, and symmetric, stable electronic structures confirmed by density of states analysis. The O-bridged system was identified as a promising •OH scavenging material with its optimal reaction consistency, thermodynamic spontaneity, and electronic structural stability. These findings preliminarily elucidate the structure-activity relationship of MYR-bridged molecular materials and establish a theoretical foundation for subsequent experimental synthesis and performance verification.","PeriodicalId":761,"journal":{"name":"Russian Journal of General Chemistry","volume":"96 10","pages":""},"PeriodicalIF":1.0,"publicationDate":"2026-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149035405","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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TMSCl–DMSO Mediated Synthesis and Biological Evaluation of Functionalized 1,2,4-Thiadiazoles and Bis(pyrid-2-yl)disulfides TMSCl-DMSO介导的功能化1,2,4-噻二唑和双（吡啶-2-基）二硫化物的合成和生物学评价

IF 1 4区化学

Russian Journal of General Chemistry Pub Date : 2026-09-25 DOI: 10.1134/S1070363226602681

Anastasiia E. Likhoman, Polina G. Dahno, Alexey A. Dolganov, Nicolai A. Aksenov, Inna V. Aksenova, Mikhail A. Staroselov, Petr V. Miroshnichenko, Victor V. Dotsenko

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Stereospecific Synthesis of Bis-Homoconduritol-A via Bicyclic Bis-Epoxide Ring Opening 双环双环氧化合物开环立体定向合成双均棕榈醇- a

IF 1 4区化学

Russian Journal of General Chemistry Pub Date : 2026-09-24 DOI: 10.1134/S1070363226603091

Latif Kelebekli

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Smectic Mesomorphism and Photoluminescence of a Series of Lanthanide Mesogens 一系列镧系系中胚层的近晶中胚性和光致发光

IF 1 4区化学

Russian Journal of General Chemistry Pub Date : 2026-09-24 DOI: 10.1134/S1070363226602577

Aleksandr S. Krupin, Andrey A. Knyazev, Yuriy G. Galyametdinov

{"title":"Smectic Mesomorphism and Photoluminescence of a Series of Lanthanide Mesogens","authors":"Aleksandr S. Krupin, Andrey A. Knyazev, Yuriy G. Galyametdinov","doi":"10.1134/S1070363226602577","DOIUrl":"10.1134/S1070363226602577","url":null,"abstract":"A series of new coordination compounds of tris(β-diketonates) of lanthanides(III) with 1,10-phenanthroline containing anisometric ligands with long hydrocarbon substituents was synthesized and characterized. The composition and structure of the complexes were confirmed by elemental analysis and mass spectrometry. By polarized optical microscopy, it was established that the complexes of Eu(III), Gd(III), Tb(III), Ho(III), and Er(III) exhibit smectic C mesomorphism with a mesophase existence temperature range of 18–35°C, whereas Pr(III), Nd(III), Sm(III), and Yb(III) complexes do not exhibit liquid-crystalline properties. A model of molecular packing in the smectic C phase was proposed based on small-angle X-ray scattering data. The spectral-luminescent properties of the obtained coordination compounds were studied in the visible and near-infrared ranges. For the Eu(III), Sm(III), and Tb(III) complexes, the excited-state lifetimes were determined to be 394, 38, and 367 μs, respectively. It was shown that the orientation of liquid-crystalline films of the Eu(III) complex leads to an increase in luminescence intensity by 26% and allows the intensity of polarized emission to be controlled (a 1.5-fold change) by varying the polarization plane of the exciting light. The obtained bifunctional materials are considered as promising tunable sources of polarized luminescence for optoelectronics, photonics, and biomedical applications.","PeriodicalId":761,"journal":{"name":"Russian Journal of General Chemistry","volume":"96 10","pages":""},"PeriodicalIF":1.0,"publicationDate":"2026-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149035068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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DFT Analysis of Halonium Salt-Catalyzed Michael Addition of Indole to an Enone: σ-Hole Activation versus Hidden Brønsted Acid Catalysis 卤盐催化吲哚与烯酮Michael加成反应的DFT分析：σ-空穴活化与隐藏Brønsted酸催化

IF 1 4区化学

Russian Journal of General Chemistry Pub Date : 2026-09-24 DOI: 10.1134/S1070363226602140

Aleksey V. Kovalenko, Alexandra A. Sysoeva

{"title":"DFT Analysis of Halonium Salt-Catalyzed Michael Addition of Indole to an Enone: σ-Hole Activation versus Hidden Brønsted Acid Catalysis","authors":"Aleksey V. Kovalenko, Alexandra A. Sysoeva","doi":"10.1134/S1070363226602140","DOIUrl":"10.1134/S1070363226602140","url":null,"abstract":"The catalytic activity of structurally related halogen-bond donors is commonly expected to increase with halogen polarizability, following the order Cl < Br < I. However, cyclic diarylbromonium salts were previously reported to promote the Michael addition of indole to an enone much more efficiently than the corresponding iodolium analogue. In this work, DFT calculations were used to assess whether this unusual Br > I trend can be explained by intrinsic σ-hole activation. Catalyst–substrate pre-association, halonium-assisted transition states, method-dependent activation barriers, and a simplified Brønsted acid-assisted pathway were analyzed for dibenzochlorolium, dibenzobromolium, and dibenziodolium cations. The calculations indicate that halonium cations can stabilize the key C–C bond-forming transition state through directional X···O halogen bonding, but the calculated Br/I differences are small and sensitive to the computational protocol. QTAIM, NBO, and DLPNO-CCSD(T)-based analyses further support the assignment of these contacts as halogen bonds and show that the intrinsic X···O interaction strength follows the expected order I > Br > Cl. In contrast, the simplified protonated-enone model gives a substantially lower barrier for the rate-determining C–C bond-forming step than the halogen-bond-assisted pathways. These results suggest that the high apparent activity of the bromonium salt should not be attributed solely to intrinsically stronger halogen-bond activation, but may involve a contribution from hidden Brønsted acid catalysis associated with partial catalyst decomposition.","PeriodicalId":761,"journal":{"name":"Russian Journal of General Chemistry","volume":"96 10","pages":""},"PeriodicalIF":1.0,"publicationDate":"2026-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149035368","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dual-Function Heterocyclic Phosphonates: Luminescent Scaffolds for Butyrylcholinesterase Inhibition 双功能杂环膦酸盐：抑制丁基胆碱酯酶的发光支架

IF 1 4区化学

Russian Journal of General Chemistry Pub Date : 2026-09-24 DOI: 10.1134/S1070363226603728

Anastasia S. Skrylkova, Dmitry M. Egorov, Anastasia V. Egorova, Ilya E. Kolesnikov, Gulia I. Bikbaeva, Aleksandra S. Levshakova, Sofia A. Malakhova, Anna G. Pilip, Mariia I. Fokina, Alina A. Manshina

{"title":"Dual-Function Heterocyclic Phosphonates: Luminescent Scaffolds for Butyrylcholinesterase Inhibition","authors":"Anastasia S. Skrylkova, Dmitry M. Egorov, Anastasia V. Egorova, Ilya E. Kolesnikov, Gulia I. Bikbaeva, Aleksandra S. Levshakova, Sofia A. Malakhova, Anna G. Pilip, Mariia I. Fokina, Alina A. Manshina","doi":"10.1134/S1070363226603728","DOIUrl":"10.1134/S1070363226603728","url":null,"abstract":"The synthesis and investigation of a new series of heterobicyclic phosphonates obtained via the reaction of dihydropyrimidine derivatives are reported. The target thiazolo[3,2-a]pyrimidine phosphonates were synthesized selectively in high yields. The structures of all synthesized compounds were confirmed by 1H, 13C, and 31P NMR spectroscopy as well as high-resolution mass spectrometry. Evaluation of the biological activity of the synthesized phosphonates demonstrated that all compounds exhibit inhibitory activity toward butyrylcholinesterase in the millimolar concentration range. The synthesized compounds were also found to possess luminescent properties, enabling not only interaction with the biological target but also real-time monitoring of this process, thereby significantly expanding their potential applications in medicinal chemistry. The obtained results indicate that the synthesized heterobicyclic phosphonates represent promising candidates for further investigation.","PeriodicalId":761,"journal":{"name":"Russian Journal of General Chemistry","volume":"96 10","pages":""},"PeriodicalIF":1.0,"publicationDate":"2026-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149035034","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electrocatalytic CO2 Reduction on M,N4-Doped Graphene Quantum Dots. A DFT Study M， n4掺杂石墨烯量子点的电催化CO2还原。DFT研究

IF 1 4区化学

Russian Journal of General Chemistry Pub Date : 2026-09-24 DOI: 10.1134/S1070363226602838

Anton V. Kuzmin, Bagrat A. Shainyan

{"title":"Electrocatalytic CO2 Reduction on M,N4-Doped Graphene Quantum Dots. A DFT Study","authors":"Anton V. Kuzmin, Bagrat A. Shainyan","doi":"10.1134/S1070363226602838","DOIUrl":"10.1134/S1070363226602838","url":null,"abstract":"A density functional theory (DFT) study was performed to investigate the mechanism of electrochemical carbon dioxide reduction reaction (CO2RR) on nitrogen-doped graphene quantum dots containing MN4 active sites (M = Ag, Cu, Fe, Sn, Zn). Three structural motifs representing different configurations of nitrogen atoms surrounding the metal center were evaluated: pyrrolic-type (NPyr), pyridinic-type (NPy), and mixed (NPyr/NPy) coordination environment. The computational results demonstrate that the nitrogen coordination environment plays a crucial role in the catalytic activity. The adsorption of CO2 is highly endergonic on the structures with pyridine-type and mixed nitrogen motifs. In contrast, the pyrrolic-type M(NPyr)4/GQD complexes exhibit high activity for CO2 binding, except for the silver-containing substrate. Among the investigated systems, the copper-doped structure, Cu(NPyr)4/GQD, stands out as the most promising candidate. It facilitates a favorable exergonic pathway for the formation of C2-products via a stable dimeric *(CO)2 intermediate, while efficiently suppressing the competing *CO reduction. The findings provide valuable theoretical insights for designing high-performance single-atom carbon catalysts for selective carbon dioxide conversion.","PeriodicalId":761,"journal":{"name":"Russian Journal of General Chemistry","volume":"96 10","pages":""},"PeriodicalIF":1.0,"publicationDate":"2026-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149035357","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0