Pub Date : 2024-09-01DOI: 10.1016/j.mencom.2024.09.006
Ivan V. Sukhov , Ivan A. Filippov , Igor A. Pronin , Victor V. Sysoev , Valeriy M. Kondratev , Alexei S. Komolov , Eleonora F. Lazneva , Andrey A. Karmanov , Nadezhda D. Yakushova , Vyacheslav A. Moshnikov , Ghenadii Korotcenkov
The effect of UV irradiation on sol–gel prepared ZnO films subjected to mild thermal annealing was investigated, with special attention to their structural and surface properties. Sol–gel processes, including a high-temperature annealing stage, have been adapted to the requirements of flexible electronics for in situ synthesis of semiconductor ZnO films on polymer substrates at lower temperatures due to UV irradiation. Application of UV radiation with emission peaks at 185 and 254 nm to films annealed at 180 °C made it possible to obtain ZnO films with Zn/O ratios of ca. 1, which cannot be achieved by heat treatment alone.
{"title":"Sol–gel prepared ZnO: UV irradiation effect on structure and surface properties","authors":"Ivan V. Sukhov , Ivan A. Filippov , Igor A. Pronin , Victor V. Sysoev , Valeriy M. Kondratev , Alexei S. Komolov , Eleonora F. Lazneva , Andrey A. Karmanov , Nadezhda D. Yakushova , Vyacheslav A. Moshnikov , Ghenadii Korotcenkov","doi":"10.1016/j.mencom.2024.09.006","DOIUrl":"10.1016/j.mencom.2024.09.006","url":null,"abstract":"<div><div>The effect of UV irradiation on sol–gel prepared ZnO films subjected to mild thermal annealing was investigated, with special attention to their structural and surface properties. Sol–gel processes, including a high-temperature annealing stage, have been adapted to the requirements of flexible electronics for <em>in situ</em> synthesis of semiconductor ZnO films on polymer substrates at lower temperatures due to UV irradiation. Application of UV radiation with emission peaks at 185 and 254 nm to films annealed at 180 °C made it possible to obtain ZnO films with Zn/O ratios of <em>ca</em>. 1, which cannot be achieved by heat treatment alone.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 643-646"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433574","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.2024.09.032
Daria V. Chernysheva , Victor A. Klushin , Anastasia A. Alekseenko , Elizaveta A. Moguchikh , Evgeny A. Kolesnikov , Mikhail V. Gorshenkov , Vasily V. Kaichev , Lev N. Fesenko , Nina V. Smirnova
The N-doped carbon material obtained by thermochemical conversion of a polycondensation product of a liquid fraction of humins (a waste product of plant biomass conversion into furan derivatives) with the nitrogen-containing crosslinking component melamine was investigated as a support in Pt/C electrocatalysts for the oxygen reduction reaction.
{"title":"Pt/C electrocatalysts based on N-doped carbon materials from waste plant biomass","authors":"Daria V. Chernysheva , Victor A. Klushin , Anastasia A. Alekseenko , Elizaveta A. Moguchikh , Evgeny A. Kolesnikov , Mikhail V. Gorshenkov , Vasily V. Kaichev , Lev N. Fesenko , Nina V. Smirnova","doi":"10.1016/j.mencom.2024.09.032","DOIUrl":"10.1016/j.mencom.2024.09.032","url":null,"abstract":"<div><div>The N-doped carbon material obtained by thermochemical conversion of a polycondensation product of a liquid fraction of humins (a waste product of plant biomass conversion into furan derivatives) with the nitrogen-containing crosslinking component melamine was investigated as a support in Pt/C electrocatalysts for the oxygen reduction reaction.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 725-728"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433695","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.2024.09.022
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.2024.09.002
Sergey K. Dedushenko
The 57Fe Mössbauer isomer shift is not directly related to the oxidation state of iron, and therefore the evaluation of the oxidation state of iron from the isomer shift is problematic. The oxidation state affects the isomer shift only to the extent that it affects the Fe–X bond lengths. The isomer shift can be estimated based on the average Fe–X interatomic distance.
{"title":"Does the 57Fe Mössbauer isomer shift depend on the oxidation state of iron?","authors":"Sergey K. Dedushenko","doi":"10.1016/j.mencom.2024.09.002","DOIUrl":"10.1016/j.mencom.2024.09.002","url":null,"abstract":"<div><div>The <sup>57</sup>Fe Mössbauer isomer shift is not directly related to the oxidation state of iron, and therefore the evaluation of the oxidation state of iron from the isomer shift is problematic. The oxidation state affects the isomer shift only to the extent that it affects the Fe–X bond lengths. The isomer shift can be estimated based on the average Fe–X interatomic distance.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 630-633"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433524","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.2024.09.041
Daniil R. Bazanov , Yaroslav G. Avdeev , Natalia A. Lozinskaya , Tatiana E. Andreeva , Yurii I. Kuznetsov
A series of steel corrosion inhibitors based on poly(alkyl-phenyl)-2-imidazolines was synthesized from available reagents. Electronic parameters that influence binding to a metal surface have been determined, and the influence of substituents on the geometry of binding to the surface has been studied. The resulting compounds have a degree of protection of steel in hydrochloric acid solutions in individual form above 98% at 60 °C and in a mixture with urotropine more than 99% at 95 °C.
利用现有试剂合成了一系列基于聚（烷基苯基）-2-咪唑类的钢铁缓蚀剂。确定了影响与金属表面结合的电子参数，并研究了取代基对与表面结合的几何形状的影响。所得化合物在盐酸溶液中的单体保护率在 60 °C 时超过 98%，在与乌洛托品的混合物中的保护率在 95 °C 时超过 99%。
{"title":"Alkylphenyl-substituted imidazolines as corrosion inhibitors: experimental and DFT study","authors":"Daniil R. Bazanov , Yaroslav G. Avdeev , Natalia A. Lozinskaya , Tatiana E. Andreeva , Yurii I. Kuznetsov","doi":"10.1016/j.mencom.2024.09.041","DOIUrl":"10.1016/j.mencom.2024.09.041","url":null,"abstract":"<div><div>A series of steel corrosion inhibitors based on poly(alkyl-phenyl)-2-imidazolines was synthesized from available reagents. Electronic parameters that influence binding to a metal surface have been determined, and the influence of substituents on the geometry of binding to the surface has been studied. The resulting compounds have a degree of protection of steel in hydrochloric acid solutions in individual form above 98% at 60 °C and in a mixture with urotropine more than 99% at 95 °C.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 5","pages":"Pages 751-754"},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433688","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}
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