Pub Date : 2024-09-01DOI: 10.1016/j.mencom.2024.09.022
Olga V. Turova, Albert G. Nigmatov, Evgeniya V. Filatova, Andrei A. Vasil’ev, Sergei G. Zlotin
Asymmetric cycloaddition/intramolecular rearrangement domino reaction of 2-(2-hydroxybenzylideneamino)- malonates with 4-arylidene-2-phenyloxazol-5(4H)-ones can be efficiently carried out in sub- or supercritical carbon dioxide to afford (3R,3aS,9bR)-3-aryl-3a-benzamido-4-oxo-1,3a,4,9b-tetrahydrochromeno[4,3-b]pyrrole-2,2(3H)- dicarboxylates in high yields with up to 99% ee. Excellent stereoinduction is provided in this process by the use of bifunctional hybrid organocatalyst consisting of squaramide (thiourea) and chiral tertiary amine units.
{"title":"Organocatalytic domino formation of (3R,3aS,9bR)-configured 3-aryl-3a-benzamido-1,3a,4,9b-tetrahydrochromeno[4,3-b]pyrroles in carbon dioxide medium","authors":"Olga V. Turova, Albert G. Nigmatov, Evgeniya V. Filatova, Andrei A. Vasil’ev, Sergei G. Zlotin","doi":"10.1016/j.mencom.2024.09.022","DOIUrl":"10.1016/j.mencom.2024.09.022","url":null,"abstract":"<div><div>Asymmetric cycloaddition/intramolecular rearrangement domino reaction of 2-(2-hydroxybenzylideneamino)- malonates with 4-arylidene-2-phenyloxazol-5(4<em>H</em>)-ones can be efficiently carried out in sub- or supercritical carbon dioxide to afford (3<em>R</em>,3a<em>S</em>,9b<em>R</em>)-3-aryl-3a-benzamido-4-oxo-1,3a,4,9b-tetrahydrochromeno[4,3-<em>b</em>]pyrrole-2,2(3<em>H</em>)- dicarboxylates in high yields with up to 99% <em>ee</em>. Excellent stereoinduction is provided in this process by the use of bifunctional hybrid organocatalyst consisting of squaramide (thiourea) and chiral tertiary amine units.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 694-697"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433585","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.2024.09.018
Olga A. Deeva , Andrey S. Pantileev , Oxana Yu. Kravtsova , Sergey V. Nikolaev , Nikolay A. Zefirov , Polina Yu. Povarnina , Tatiana A. Antipova , Tatiana A. Gudasheva , Vladimir L. Dorofeev
The putative endogenous tripeptide ligand of the translocator protein (TSPO) l-phenylalanyl-l-tryptophanyl-l-leucine amide was obtained using the drug-based peptide design strategy and molecular modeling. This tripeptide demonstrated anxiolytic activity in the elevated plus-maze test and antidepressant-like activity in the forced swimming test in BALB/c mice at the doses of 10 mg kg−1 (i.p.) and also showed neuroprotective activity in the concentration range of 10−5–10−7 m in vitro under conditions of oxidative stress using HT-22 neuronal cell line.
{"title":"Tripeptide Phe-Trp-Leu-NH2 as a putative endogenous ligand of TSPO: molecular modeling, synthesis and pharmacological activity","authors":"Olga A. Deeva , Andrey S. Pantileev , Oxana Yu. Kravtsova , Sergey V. Nikolaev , Nikolay A. Zefirov , Polina Yu. Povarnina , Tatiana A. Antipova , Tatiana A. Gudasheva , Vladimir L. Dorofeev","doi":"10.1016/j.mencom.2024.09.018","DOIUrl":"10.1016/j.mencom.2024.09.018","url":null,"abstract":"<div><div>The putative endogenous tripeptide ligand of the translocator protein (TSPO) l-phenylalanyl-l-tryptophanyl-l-leucine amide was obtained using the drug-based peptide design strategy and molecular modeling. This tripeptide demonstrated anxiolytic activity in the elevated plus-maze test and antidepressant-like activity in the forced swimming test in BALB/c mice at the doses of 10 mg kg<sup>−1</sup> (<em>i.p</em>.) and also showed neuroprotective activity in the concentration range of 10<sup>−5</sup>–10<sup>−7</sup> m <em>in vitro</em> under conditions of oxidative stress using HT-22 neuronal cell line.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 682-684"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433581","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.2024.09.014
Sergey D. Batalin
2’-Hydroxychalcones of 2-cinnamoyl-4-nitro-1-naphthol series were obtained by the condensation between 2-acetyl- 4-nitro-1-naphthol and benzaldehydes. The presence of the 4-positioned nitro group in the 1-hydroxy-2-naphthyl fragment contributes to the excited state intramolecular proton transfer (ESIPT) fluorescence of these 2’-hydroxy- chalcones in the solid state. Compound with dimethyl- amino substituent, 2-(4-dimethylaminocinnamoyl)-4-nitro- 1-naphthol, also demonstrates ESIPT in solution.
{"title":"Photophysical properties of 2’-hydroxychalcones of 2-cinnamoyl-4-nitro-1-naphthol series","authors":"Sergey D. Batalin","doi":"10.1016/j.mencom.2024.09.014","DOIUrl":"10.1016/j.mencom.2024.09.014","url":null,"abstract":"<div><div>2<em>’</em>-Hydroxychalcones of 2-cinnamoyl-4-nitro-1-naphthol series were obtained by the condensation between 2-acetyl- 4-nitro-1-naphthol and benzaldehydes. The presence of the 4-positioned nitro group in the 1-hydroxy-2-naphthyl fragment contributes to the excited state intramolecular proton transfer (ESIPT) fluorescence of these 2<em>’</em>-hydroxy- chalcones in the solid state. Compound with dimethyl- amino substituent, 2-(4-dimethylaminocinnamoyl)-4-nitro- 1-naphthol, also demonstrates ESIPT in solution.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 670-672"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433579","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.2024.09.035
Nadezhda B. Tamm, Sergey I. Troyanov
Chlorofullerenes C84Cl22,24 were obtained by chlorination of minor C84 isomers mixture with VCl4 at 330 °C. An X-ray crystallographic study with the use of synchrotron radiation revealed the presence of C84(11)Cl22, C84(14)Cl22, C84(16)Cl22, and C84(16)Cl24 in the same crystal.
氯富勒烯 C84Cl22,24 是在 330 °C 下用 VCl4 对次要的 C84 异构体混合物进行氯化而得到的。利用同步辐射进行的 X 射线晶体学研究显示，在同一晶体中存在 C84(11)Cl22、C84(14)Cl22、C84(16)Cl22 和 C84(16)Cl24 四种异构体。
{"title":"Structural study of minor C84 isomers as chlorofullerenes, C84(11)Cl22, C84(14)Cl22, C84(16)Cl22, and C84(16)Cl24","authors":"Nadezhda B. Tamm, Sergey I. Troyanov","doi":"10.1016/j.mencom.2024.09.035","DOIUrl":"10.1016/j.mencom.2024.09.035","url":null,"abstract":"<div><div>Chlorofullerenes C<sub>84</sub>Cl<sub>22,24</sub> were obtained by chlorination of minor C<sub>84</sub> isomers mixture with VCl<sub>4</sub> at 330 °C. An X-ray crystallographic study with the use of synchrotron radiation revealed the presence of C<sub>84</sub>(11)Cl<sub>22</sub>, C<sub>84</sub>(14)Cl<sub>22</sub>, C<sub>84</sub>(16)Cl<sub>22</sub>, and C<sub>84</sub>(16)Cl<sub>24</sub> in the same crystal.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 734-736"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433660","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.2024.09.036
Emmanuel Busillo , Pavel A. Vlasov , Vladimir N. Smirnov , Dmitrii I. Mikhailov , Vladimir S. Arutyunov
The results of shock-tube measurements of acetylene concentration and characteristics of the ensemble of soot particles during the pyrolysis of benzene, ethylene, ethylene–methane and ethylene–propane diluted with argon are compared with the predictions of the unified kinetic model of soot formation implemented in the MACRON program based on the Galerkin method. The simulation results demonstrate good agreement with experimental data for the pyrolysis of ethylene alone and with the specified additives, thereby confirming the two route mechanism of soot nuclei formation. The agreement for benzene pyrolysis is less satisfactory.
{"title":"Two-route formation of soot nuclei: experimental and modeling evidence","authors":"Emmanuel Busillo , Pavel A. Vlasov , Vladimir N. Smirnov , Dmitrii I. Mikhailov , Vladimir S. Arutyunov","doi":"10.1016/j.mencom.2024.09.036","DOIUrl":"10.1016/j.mencom.2024.09.036","url":null,"abstract":"<div><div>The results of shock-tube measurements of acetylene concentration and characteristics of the ensemble of soot particles during the pyrolysis of benzene, ethylene, ethylene–methane and ethylene–propane diluted with argon are compared with the predictions of the unified kinetic model of soot formation implemented in the MACRON program based on the Galerkin method. The simulation results demonstrate good agreement with experimental data for the pyrolysis of ethylene alone and with the specified additives, thereby confirming the two route mechanism of soot nuclei formation. The agreement for benzene pyrolysis is less satisfactory.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 737-739"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433562","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.2024.09.017
Nataliya L. Smirnova , Andrey V. Kustov , Airat A. Notfullin , Michail I. Yagofarov , Dmitriy V. Batov , Konstantin N. Semenov
Thermochemical data on hydration of the well-established anticancer agent Dioxadet were obtained. Its enthalpies of solution and sublimation at various temperatures were determined calorimetrically, and on their basis the standard enthalpy (ΔhydrH0 = −154.6 ± 3.6 kJ mol−1) and the standard heat capacity (ΔhydrCp0 = 384 ± 80 J mol−1 K−1) of the transfer of the solute from the state of an ideal gas to an aqueous solution at infinite dilution at 298.15 K were calculated.
{"title":"Enthalpy and heat capacity of hydration of the cytostatic Dioxadet","authors":"Nataliya L. Smirnova , Andrey V. Kustov , Airat A. Notfullin , Michail I. Yagofarov , Dmitriy V. Batov , Konstantin N. Semenov","doi":"10.1016/j.mencom.2024.09.017","DOIUrl":"10.1016/j.mencom.2024.09.017","url":null,"abstract":"<div><div>Thermochemical data on hydration of the well-established anticancer agent Dioxadet were obtained. Its enthalpies of solution and sublimation at various temperatures were determined calorimetrically, and on their basis the standard enthalpy (Δ<sub>hydr</sub><em>H</em><sup>0</sup> = −154.6 ± 3.6 kJ mol<sup>−1</sup>) and the standard heat capacity (Δ<sub>hydr</sub><em>C</em><sub>p</sub><sup>0</sup> = 384 ± 80 J mol<sup>−1</sup> K<sup>−1</sup>) of the transfer of the solute from the state of an ideal gas to an aqueous solution at infinite dilution at 298.15 K were calculated.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 680-681"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433580","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.2024.09.023
Maxim A. Novikov, Angelina Yu. Bobrova, Anton A. Servetnik, Elena I. Chernoburova, Igor V. Zavarzin, Yury V. Tomilov
A silver phosphine complex (XantPhos)AgBr proved to be a cheap and readily accessible catalyst for bromofluoro- cyclopropanation of electron-rich alkenes with CFBr2CO2Na. Ozonolysis followed by treatment with NaHSO3 was shown to be an effective protocol to purify gem-bromofluoro- cyclopropanes from unreacted alkene precursors.
{"title":"(XantPhos)AgBr as a cheap and readily available catalyst for the bromofluorocyclopropanation of electron-rich alkenes","authors":"Maxim A. Novikov, Angelina Yu. Bobrova, Anton A. Servetnik, Elena I. Chernoburova, Igor V. Zavarzin, Yury V. Tomilov","doi":"10.1016/j.mencom.2024.09.023","DOIUrl":"10.1016/j.mencom.2024.09.023","url":null,"abstract":"<div><div>A silver phosphine complex (XantPhos)AgBr proved to be a cheap and readily accessible catalyst for bromofluoro- cyclopropanation of electron-rich alkenes with CFBr<sub>2</sub>CO<sub>2</sub>Na. Ozonolysis followed by treatment with NaHSO<sub>3</sub> was shown to be an effective protocol to purify <em>gem</em>-bromofluoro- cyclopropanes from unreacted alkene precursors.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 698-700"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433586","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.2024.09.007
Aleksandr I. Gusev, Albina A. Valeeva
For the first time, the elastic constants c11, c12, and c44 of disordered cubic titanium monoxide TiOy were determined depending on the oxygen content y in the homogeneity region from TiO0.80 to TiO1.25. It has been established that the values of the elastic moduli depend on the oxygen content y and the crystallographic direction [hkl ]. Large changes in the elastic characteristics of TiOy depending on the [hkl ] direction indicate a strong anisotropy of the elasticity of disordered cubic titanium monoxide.
{"title":"Anisotropy of elastic properties of disordered cubic titanium monoxide TiOy","authors":"Aleksandr I. Gusev, Albina A. Valeeva","doi":"10.1016/j.mencom.2024.09.007","DOIUrl":"10.1016/j.mencom.2024.09.007","url":null,"abstract":"<div><div>For the first time, the elastic constants <em>c</em><sub>11</sub>, <em>c</em><sub>12</sub>, and <em>c</em><sub>44</sub> of disordered cubic titanium monoxide TiO<em><sub>y</sub></em> were determined depending on the oxygen content <em>y</em> in the homogeneity region from TiO<sub>0.80</sub> to TiO<sub>1.25</sub>. It has been established that the values of the elastic moduli depend on the oxygen content <em>y</em> and the crystallographic direction [<em>hkl</em> ]. Large changes in the elastic characteristics of TiO<em><sub>y</sub></em> depending on the [<em>hkl</em> ] direction indicate a strong anisotropy of the elasticity of disordered cubic titanium monoxide.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 647-649"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433575","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.2024.09.009
Petr V. Zemlianskii , Alexander L. Kustov , Gennady I. Kapustin , Nikolay A. Davshan , Konstantin B. Kalmykov , Vladimir V. Chernyshev , Leonid M. Kustov
For the first time, kinetic data on the decomposition of N2O over mixed oxide LaCoO3 with a perovskite structure have been obtained. Bulk LaCoO3 synthesized using microwave activation exhibited an increased intrinsic reaction rate with a 30 kJ mol–1 lower activation energy. Perovskite samples supported on ZrO2-La demonstrated lower intrinsic reaction rates due to the lower content of the LaCoO3 phase, but the activation energies were also lower by 50–80 kJ mol–1.
{"title":"Kinetics of N2O decomposition over bulk and supported LaCoO3 perovskites","authors":"Petr V. Zemlianskii , Alexander L. Kustov , Gennady I. Kapustin , Nikolay A. Davshan , Konstantin B. Kalmykov , Vladimir V. Chernyshev , Leonid M. Kustov","doi":"10.1016/j.mencom.2024.09.009","DOIUrl":"10.1016/j.mencom.2024.09.009","url":null,"abstract":"<div><div>For the first time, kinetic data on the decomposition of N<sub>2</sub>O over mixed oxide LaCoO<sub>3</sub> with a perovskite structure have been obtained. Bulk LaCoO<sub>3</sub> synthesized using microwave activation exhibited an increased intrinsic reaction rate with a 30 kJ mol<sup>–1</sup> lower activation energy. Perovskite samples supported on ZrO<sub>2</sub>-La demonstrated lower intrinsic reaction rates due to the lower content of the LaCoO<sub>3</sub> phase, but the activation energies were also lower by 50–80 kJ mol<sup>–1</sup>.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 653-655"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433576","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.2024.09.031
Olga Yu. Vdovina, Ruslan R. Galimullin, Marat F. Abdullin, Alexander V. Smirnov, Sergey V. Kolesov
Chromatography–mass spectrometry of samples representing the interaction products of ferrocene, radical initiator and monomer taken in the molar ratio of 1:2:10 in toluene solution was used for experimental detection of products indicating the structure and mechanism of formation of metal complex active centers of radical-coordination polymerization. Structures similar to those proposed by the quantum-chemical modeling were demonstrated to be formed with the participation of secondary radicals.
{"title":"Formation of active centers of polymer catalysts for radical-coordination polymerization","authors":"Olga Yu. Vdovina, Ruslan R. Galimullin, Marat F. Abdullin, Alexander V. Smirnov, Sergey V. Kolesov","doi":"10.1016/j.mencom.2024.09.031","DOIUrl":"10.1016/j.mencom.2024.09.031","url":null,"abstract":"<div><div>Chromatography–mass spectrometry of samples representing the interaction products of ferrocene, radical initiator and monomer taken in the molar ratio of 1:2:10 in toluene solution was used for experimental detection of products indicating the structure and mechanism of formation of metal complex active centers of radical-coordination polymerization. Structures similar to those proposed by the quantum-chemical modeling were demonstrated to be formed with the participation of secondary radicals.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 721-724"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433694","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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