Pub Date : 2024-09-01DOI: 10.1016/j.mencom.2024.09.021
Kseniya V. Belyaeva, Lina P. Nikitina, Ivan V. Saliy, Veronika S. Saliy, Andrei V. Afonin, Ludmila A. Oparina, Boris A. Trofimov
1-Methylisoquinoline undergoes stereoselective annulation with pyrrolylacetylenic ketones (MeCN, 80–82 °C) to provide (E)-acylethenylpyrrolo[1’,2’:3,4]imidazo[2,1-a]isoquinolines in up to 92% yield. In the case of 5-arylpyrrolylacetylenic ketones, instead of the above cyclization, the dimerization of the starting ketones to give dipyrrolopyrazines in 38 and 39% yields occurs.
{"title":"Annulation of 1-methylisoquinoline with pyrrolylacetylenic ketones: catalyst-free stereoselective synthesis of (E)-acylethenylpyrrolo[1’,2’:3,4]imidazo[2,1-a]isoquinolines","authors":"Kseniya V. Belyaeva, Lina P. Nikitina, Ivan V. Saliy, Veronika S. Saliy, Andrei V. Afonin, Ludmila A. Oparina, Boris A. Trofimov","doi":"10.1016/j.mencom.2024.09.021","DOIUrl":"10.1016/j.mencom.2024.09.021","url":null,"abstract":"<div><div>1-Methylisoquinoline undergoes stereoselective annulation with pyrrolylacetylenic ketones (MeCN, 80–82 °C) to provide (<em>E</em>)-acylethenylpyrrolo[1<em>’</em>,2<em>’</em>:3,4]imidazo[2,1-<em>a</em>]isoquinolines in up to 92% yield. In the case of 5-arylpyrrolylacetylenic ketones, instead of the above cyclization, the dimerization of the starting ketones to give dipyrrolopyrazines in 38 and 39% yields occurs.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 691-693"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433584","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}
Pub Date : 2024-09-01DOI: 10.1016/j.mencom.2024.09.028
Alexander V. Rassolov , Galina N. Baeva , Dmitry P. Melnikov , Artem R. Kolyadenkov , Anastasia E. Vaulina , Alexander Yu. Stakheev
The characteristics of the porous structure and the specific surface area of the support have a significant impact on both the structure of the active sites and the efficiency of catalysts for the synthesis of methanol from CO2. The use of a complex of physicochemical methods of analysis in combination with the results of catalytic experiments has enabled the main tendencies in the development of productive and selective catalysts based on PdIn intermetallic nanoparticles to be established.
{"title":"The impact of the porous structure on the efficiency of PdIn methanol synthesis catalysts","authors":"Alexander V. Rassolov , Galina N. Baeva , Dmitry P. Melnikov , Artem R. Kolyadenkov , Anastasia E. Vaulina , Alexander Yu. Stakheev","doi":"10.1016/j.mencom.2024.09.028","DOIUrl":"10.1016/j.mencom.2024.09.028","url":null,"abstract":"<div><div>The characteristics of the porous structure and the specific surface area of the support have a significant impact on both the structure of the active sites and the efficiency of catalysts for the synthesis of methanol from CO<sub>2</sub>. The use of a complex of physicochemical methods of analysis in combination with the results of catalytic experiments has enabled the main tendencies in the development of productive and selective catalysts based on PdIn intermetallic nanoparticles to be established.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 711-714"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433691","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}
Pub Date : 2024-09-01DOI: 10.1016/j.mencom.2024.09.003
Yulia N. Toikka , Alexander R. Badikov , Nikita A. Bogachev , Ilya E. Kolesnikov , Mikhail Yu. Skripkin , Sergey N. Orlov , Andrey S. Mereshchenko
Two new heterometallic lutetium(III)–europium(III) terephthalate metal–organic frameworks were synthesized. The compounds demonstrated bright red emission of Eu3+ ions upon UV excitation into the 1ππ* excited state of terephthalate anion. Photoluminescence properties of the compounds were shown to be determined by the local environment of europium ions.
{"title":"Luminescent properties and thermal stability of (Lu0.98Eu0.02)2bdc3·10H2O metal–organic frameworks","authors":"Yulia N. Toikka , Alexander R. Badikov , Nikita A. Bogachev , Ilya E. Kolesnikov , Mikhail Yu. Skripkin , Sergey N. Orlov , Andrey S. Mereshchenko","doi":"10.1016/j.mencom.2024.09.003","DOIUrl":"10.1016/j.mencom.2024.09.003","url":null,"abstract":"<div><div>Two new heterometallic lutetium(III)–europium(III) terephthalate metal–organic frameworks were synthesized. The compounds demonstrated bright red emission of Eu<sup>3+</sup> ions upon UV excitation into the <sup>1</sup>ππ* excited state of terephthalate anion. Photoluminescence properties of the compounds were shown to be determined by the local environment of europium ions.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 634-636"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433525","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}
Pub Date : 2024-09-01DOI: 10.1016/j.mencom.2024.09.044
Emmanuel Busillo , Pavel A. Vlasov , Valery I. Savchenko , Vladimir N. Smirnov , Vladimir S. Arutyunov
The Gibbs free energies of the formation of several polyynes (C6H2, C10H2 and C16H2) and aromatic species (C6H6, C10H8 and C16H10) from methane and acetylene at temperatures of 1000–2600 K and atmospheric pressure were obtained by quantum chemical calculations using the RI-MP2 method in the ORCA open source software. At lower temperatures, aromatic species form more readily than polyynes, while at temperatures >2200 K the trend reverses and polyyne formation becomes predominant.
{"title":"Thermodynamics of the formation of polyynes and aromatic species from methane and acetylene","authors":"Emmanuel Busillo , Pavel A. Vlasov , Valery I. Savchenko , Vladimir N. Smirnov , Vladimir S. Arutyunov","doi":"10.1016/j.mencom.2024.09.044","DOIUrl":"10.1016/j.mencom.2024.09.044","url":null,"abstract":"<div><div>The Gibbs free energies of the formation of several polyynes (C<sub>6</sub>H<sub>2</sub>, C<sub>10</sub>H<sub>2</sub> and C<sub>16</sub>H<sub>2</sub>) and aromatic species (C<sub>6</sub>H<sub>6</sub>, C<sub>10</sub>H<sub>8</sub> and C<sub>16</sub>H<sub>10</sub>) from methane and acetylene at temperatures of 1000–2600 K and atmospheric pressure were obtained by quantum chemical calculations using the RI-MP2 method in the ORCA open source software. At lower temperatures, aromatic species form more readily than polyynes, while at temperatures >2200 K the trend reverses and polyyne formation becomes predominant.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 762-765"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433690","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}
Pub Date : 2024-09-01DOI: 10.1016/j.mencom.2024.09.004
Alexey A. Dovzhenko , Anna A. Betina , Tatyana S. Bulatova , Nikita A. Bogachev , Vladimir G. Nikiforov , Alexandra D. Voloshina , Rustem R. Zairov , Asya R. Mustafina , Andrey S. Mereshchenko , Bulat S. Akhmadeev
This work introduces non-covalent hydrophilic coating of NaGd0.7Eu0.3F4 nanocrystals by polylysine (PL) and polyethyleneimine (PEI) for MRI and fluorescent imaging purposes. PL- and PEI-stabilized nanocrystals exhibit high colloidal stability, cell internalization, fluorescent contrasting of nuclei and cytoplasm, low cytotoxicity, and relaxivity (r1= 0.17 dm3 mmol–1 s–1 and r1 = 0.23 dm3 mmol–1 s–1).
{"title":"Dual contrasting ability of NaGd0.7Eu0.3F4 nanocrystals tuned by their hydrophilic coating mode","authors":"Alexey A. Dovzhenko , Anna A. Betina , Tatyana S. Bulatova , Nikita A. Bogachev , Vladimir G. Nikiforov , Alexandra D. Voloshina , Rustem R. Zairov , Asya R. Mustafina , Andrey S. Mereshchenko , Bulat S. Akhmadeev","doi":"10.1016/j.mencom.2024.09.004","DOIUrl":"10.1016/j.mencom.2024.09.004","url":null,"abstract":"<div><div>This work introduces non-covalent hydrophilic coating of NaGd<sub>0.7</sub>Eu<sub>0.3</sub>F<sub>4</sub> nanocrystals by polylysine (PL) and polyethyleneimine (PEI) for MRI and fluorescent imaging purposes. PL- and PEI-stabilized nanocrystals exhibit high colloidal stability, cell internalization, fluorescent contrasting of nuclei and cytoplasm, low cytotoxicity, and relaxivity (<em>r</em><sub>1</sub>= 0.17 dm<sup>3</sup> mmol<sup>–1</sup> s<sup>–1</sup> and <em>r</em><sub>1</sub> = 0.23 dm<sup>3</sup> mmol<sup>–1</sup> s<sup>–1</sup>).</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 637-639"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433572","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}
Pub Date : 2024-09-01DOI: 10.1016/j.mencom.2024.09.019
Yuliya S. Bortnevskaya , Viktoriya A. Malikova , Natalia Yu. Karpechenko , Natal’ya A. Bragina , Kseniya A. Zhdanova
New phototherapeutic agents based on synthetic porphyrin- type tetrapyrroles and small-molecule-targeted tyrosine kinase inhibitor Erlotinib have been synthesized based on the scheme involving ‘click’ reaction between bis(4- azidophenyl)-containing zinc porphyrinate derivative and N-(3-ethynylphenylamino)-6,7-bis(2-methoxyethoxy)- quinazoline. The final compound and its precursors were tested as potential photosensitizers for targeted photo- dynamic therapy (PDT), the conjugate having shown photoinduced cytotoxicity IC50 for NKE cells 0.86 ± 0.017 μm and for A431 cells 0.54 ± 0.011 μm.
{"title":"The ‘click’ synthesis of new cytotoxic conjugate based on meso-arylporphyrin and Erlotinib","authors":"Yuliya S. Bortnevskaya , Viktoriya A. Malikova , Natalia Yu. Karpechenko , Natal’ya A. Bragina , Kseniya A. Zhdanova","doi":"10.1016/j.mencom.2024.09.019","DOIUrl":"10.1016/j.mencom.2024.09.019","url":null,"abstract":"<div><div>New phototherapeutic agents based on synthetic porphyrin- type tetrapyrroles and small-molecule-targeted tyrosine kinase inhibitor Erlotinib have been synthesized based on the scheme involving ‘click’ reaction between bis(4- azidophenyl)-containing zinc porphyrinate derivative and <em>N</em>-(3-ethynylphenylamino)-6,7-bis(2-methoxyethoxy)- quinazoline. The final compound and its precursors were tested as potential photosensitizers for targeted photo- dynamic therapy (PDT), the conjugate having shown photoinduced cytotoxicity IC<sub>50</sub> for NKE cells 0.86 ± 0.017 μm and for A431 cells 0.54 ± 0.011 μm.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 685-687"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433582","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}
Pub Date : 2024-09-01DOI: 10.1016/j.mencom.2024.09.016
Oleg A. Levitskiy, Alexey V. Bogdanov, Tatiana V. Magdesieva
A new approach to stabilization of the reduced state of nitroxides in solution is suggested. Thermodynamic stabilization of the strongly basic aminoxyl anions toward protonation and hydrogen bond formation with the solvent was achieved by intramolecular n → π* interactions. A new stable nitroxide radical bearing ortho-acyl group was synthesized to demonstrate this effect by means of cyclic voltammetry.
提出了一种稳定溶液中硝化物还原状态的新方法。通过分子内 n → π* 相互作用，强碱性氨基氧阴离子在质子化和与溶剂形成氢键方面实现了热力学稳定。为了证明这种效果，我们合成了一种带有正酰基的新的稳定的亚硝基自由基，并采用了循环伏安法。
{"title":"Competition between n → π* interactions and H-bonding: a way to stabilize aminoxyl anions and to improve electron transfer kinetics","authors":"Oleg A. Levitskiy, Alexey V. Bogdanov, Tatiana V. Magdesieva","doi":"10.1016/j.mencom.2024.09.016","DOIUrl":"10.1016/j.mencom.2024.09.016","url":null,"abstract":"<div><div>A new approach to stabilization of the reduced state of nitroxides in solution is suggested. Thermodynamic stabilization of the strongly basic aminoxyl anions toward protonation and hydrogen bond formation with the solvent was achieved by intramolecular n → π* interactions. A new stable nitroxide radical bearing <em>ortho</em>-acyl group was synthesized to demonstrate this effect by means of cyclic voltammetry.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 676-679"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142432672","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}
Pub Date : 2024-09-01DOI: 10.1016/j.mencom.2024.09.039
Boris A. Gostevsky, Alexander V. Vashchenko, Nataliya F. Lazareva
The single-crystal X-ray study of ClSi(OCH2CH2)3N showed the formation of a cluster of three silatrane molecules with one acetonitrile molecule featuring hypercoordinated Si atoms in a trigonal-bipyramidal coordination environment with O atom in the equatorial plane. A number of solid-phase structural parameters and the conformation of the fivemembered rings of 1-chlorosilatrane were thus clarified.
ClSi(OCH2CH2)3N 的单晶 X 射线研究表明，由三个硅烷分子与一个乙腈分子组成的硅烷簇具有超配位硅原子，处于三叉双锥配位环境中，O 原子位于赤道面上。因此，1-氯硅烷的一些固相结构参数和五元环的构象得到了澄清。
{"title":"X-ray structural study of 3:1 solvate of 1-chlorosilatrane with MeCN","authors":"Boris A. Gostevsky, Alexander V. Vashchenko, Nataliya F. Lazareva","doi":"10.1016/j.mencom.2024.09.039","DOIUrl":"10.1016/j.mencom.2024.09.039","url":null,"abstract":"<div><div>The single-crystal X-ray study of ClSi(OCH<sub>2</sub>CH<sub>2</sub>)<sub>3</sub>N showed the formation of a cluster of three silatrane molecules with one acetonitrile molecule featuring hypercoordinated Si atoms in a trigonal-bipyramidal coordination environment with O atom in the equatorial plane. A number of solid-phase structural parameters and the conformation of the fivemembered rings of 1-chlorosilatrane were thus clarified.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 745-747"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433565","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}
Pub Date : 2024-09-01DOI: 10.1016/j.mencom.2024.09.001
Anton A. Yakimanskiy, Alexander M. Mitroshin, Tatiana G. Chulkova, Sergey A. Miltsov, Alexander V. Yakimansky
Copolyfluorenes have drawn considerable attention owing to their remarkable optoelectronic characteristics, chemical and thermal stability, good film-forming properties, and thus present an active subject of cutting-edge research in the organic electroluminescence. This current systematic review examines and summarizes the latest research on copolyfluorene-based materials for light emitting layers of OLEDs over the past decades.
{"title":"Fluorene-based π-conjugated polymers for OLEDs: advances, opportunities, and challenges","authors":"Anton A. Yakimanskiy, Alexander M. Mitroshin, Tatiana G. Chulkova, Sergey A. Miltsov, Alexander V. Yakimansky","doi":"10.1016/j.mencom.2024.09.001","DOIUrl":"10.1016/j.mencom.2024.09.001","url":null,"abstract":"<div><div>Copolyfluorenes have drawn considerable attention owing to their remarkable optoelectronic characteristics, chemical and thermal stability, good film-forming properties, and thus present an active subject of cutting-edge research in the organic electroluminescence. This current systematic review examines and summarizes the latest research on copolyfluorene-based materials for light emitting layers of OLEDs over the past decades.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 609-629"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142432017","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}
Pub Date : 2024-09-01DOI: 10.1016/j.mencom.2024.09.020
Alexey V. Trifonov, Roza K. Bagautdinova, Lyudmila K. Kibardina, Michail A. Pudovik, Anna P. Lyubina, Alexandra D. Voloshina, Almir S. Gazizov, Alexander R. Burilov
New azidomethyl-substituted 7-azacoumarin-3-carbox- amides were converted into the corresponding 1,2,3-triazole hybrids by the copper-catalyzed click reaction with phenyl- acetylene. Cytotoxicity and antimicrobial activity were evaluated, and leading compounds were identified.
{"title":"New triazole-containing 7-azacoumarin-3-carboxamides: synthesis and biological properties","authors":"Alexey V. Trifonov, Roza K. Bagautdinova, Lyudmila K. Kibardina, Michail A. Pudovik, Anna P. Lyubina, Alexandra D. Voloshina, Almir S. Gazizov, Alexander R. Burilov","doi":"10.1016/j.mencom.2024.09.020","DOIUrl":"10.1016/j.mencom.2024.09.020","url":null,"abstract":"<div><div>New azidomethyl-substituted 7-azacoumarin-3-carbox- amides were converted into the corresponding 1,2,3-triazole hybrids by the copper-catalyzed click reaction with phenyl- acetylene. Cytotoxicity and antimicrobial activity were evaluated, and leading compounds were identified.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 688-690"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433583","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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