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Alkylphenyl-substituted imidazolines as corrosion inhibitors: experimental and DFT study 作为腐蚀抑制剂的烷基苯基取代咪唑类化合物：实验和 DFT 研究
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-09-01 DOI: 10.1016/j.mencom.2024.09.041
{"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}
引用次数: 0
Tripeptide Phe-Trp-Leu-NH2 as a putative endogenous ligand of TSPO: molecular modeling, synthesis and pharmacological activity 三肽 Phe-Trp-Leu-NH2 作为 TSPO 的假定内源配体：分子建模、合成和药理活性
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-09-01 DOI: 10.1016/j.mencom.2024.09.018
{"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}
引用次数: 0
Structural study of minor C84 isomers as chlorofullerenes, C84(11)Cl22, C84(14)Cl22, C84(16)Cl22, and C84(16)Cl24 作为氯富勒烯的次要 C84 异构体 C84(11)Cl22、C84(14)Cl22、C84(16)Cl22 和 C84(16)Cl24 的结构研究
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-09-01 DOI: 10.1016/j.mencom.2024.09.035
{"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}
引用次数: 0
Photophysical properties of 2’-hydroxychalcones of 2-cinnamoyl-4-nitro-1-naphthol series 2'-hydroxychalcones of 2-cinnamoyl-4-nitro-1-naphthol series 的光物理特性
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-09-01 DOI: 10.1016/j.mencom.2024.09.014
{"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}
引用次数: 0
Two-route formation of soot nuclei: experimental and modeling evidence 烟尘核的双通道形成：实验和模型证据
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-09-01 DOI: 10.1016/j.mencom.2024.09.036
{"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}
引用次数: 0
Enthalpy and heat capacity of hydration of the cytostatic Dioxadet 细胞抑制剂 Dioxadet 的水合焓和热容量
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-09-01 DOI: 10.1016/j.mencom.2024.09.017
{"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}
引用次数: 0
(XantPhos)AgBr as a cheap and readily available catalyst for the bromofluorocyclopropanation of electron-rich alkenes (XantPhos)AgBr 作为富电子烯溴氟环丙烷化反应的廉价易得催化剂
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-09-01 DOI: 10.1016/j.mencom.2024.09.023
{"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}
引用次数: 0
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 通过 N-苯基马来酰亚胺和环庚烷-1,3,5-三烯的环化反应制备新的 4-氮杂四环[5.3.2.02,6.08,10]十二-11-烯-3,5-二酮
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-09-01 DOI: 10.1016/j.mencom.2024.09.024
{"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}
引用次数: 0
Kinetics of N2O decomposition over bulk and supported LaCoO3 perovskites 块状和支撑型 LaCoO3 包晶上的 N2O 分解动力学
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-09-01 DOI: 10.1016/j.mencom.2024.09.009
{"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}
引用次数: 0
Formation of active centers of polymer catalysts for radical-coordination polymerization 用于自由基配位聚合的聚合物催化剂活性中心的形成
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-09-01 DOI: 10.1016/j.mencom.2024.09.031
{"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}
引用次数: 0
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