Pub Date : 2024-09-01DOI: 10.1016/j.mencom.2024.09.041
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":"","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":null,"pages":null},"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
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":"","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":null,"pages":null},"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.2024.09.035
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":"","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":null,"pages":null},"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.2024.09.014
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":"","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":null,"pages":null},"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.2024.09.036
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":"","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":null,"pages":null},"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
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":"","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":null,"pages":null},"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
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":"","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":null,"pages":null},"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.2024.09.024
The cycloaddition reactions of N-phenylmaleimide with 7-substituted cyclohepta-1,3,5-trienes afforded new 4-aza- tetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-diones in high yields (87–97%). The true substrates which underwent the [4 + 2] cycloaddition were the 7-R-bicyclo[4.1.0]hepta-2,4-diene tautomers. The structures of the synthesized compounds were proved by NMR spectroscopy and X-ray diffraction analysis.
通过 N-苯基马来酰亚胺与 7-取代的环庚烷-1,3,5-三烯的环加成反应，可以得到新的 4-氮杂四环[5.3.2.02,6.08,10]十二-11-烯-3,5-二酮，收率高达 87-97%。发生[4 + 2]环加成反应的真正底物是 7-R-双环[4.1.0]庚-2,4-二烯同系物。核磁共振光谱和 X 射线衍射分析证明了合成化合物的结构。
{"title":"New 4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-diones via the cycloaddition of N-phenylmaleimide and cyclohepta-1,3,5-trienes","authors":"","doi":"10.1016/j.mencom.2024.09.024","DOIUrl":"10.1016/j.mencom.2024.09.024","url":null,"abstract":"<div><div>The cycloaddition reactions of <em>N</em>-phenylmaleimide with 7-substituted cyclohepta-1,3,5-trienes afforded new 4-aza- tetracyclo[5.3.2.0<sup>2,6</sup>.0<sup>8,10</sup>]dodec-11-ene-3,5-diones in high yields (87–97%). The true substrates which underwent the [4 + 2] cycloaddition were the 7-R-bicyclo[4.1.0]hepta-2,4-diene tautomers. The structures of the synthesized compounds were proved by NMR spectroscopy and X-ray diffraction analysis.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142433569","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
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":"","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":null,"pages":null},"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
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":"","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":null,"pages":null},"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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