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Thia-Michael addition in a Brønsted acidic deep eutectic solvent 布氏酸性深共晶溶剂中的噻-迈克尔加成法
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-07-01 DOI: 10.1016/j.mencom.2024.06.030
Ya-juan Fan , Dan Wang , Liang Wang , Yongsheng Zhou
{"title":"Thia-Michael addition in a Brønsted acidic deep eutectic solvent","authors":"Ya-juan Fan ,&nbsp;Dan Wang ,&nbsp;Liang Wang ,&nbsp;Yongsheng Zhou","doi":"10.1016/j.mencom.2024.06.030","DOIUrl":"10.1016/j.mencom.2024.06.030","url":null,"abstract":"<div><p>A 100% atom-efficient thia-Michael addition process between thiols and α,β -unsaturated carbonyl compounds in a Brønsted acidic deep eutectic solvent at room temperature has been developed. The medium, choline chloride/<em>p</em>-toluene- sulfonic acid, not only showed good catalytic activity, but also could be readily recovered and reused with slight decrease in its activity after successive five runs.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 4","pages":"Pages 561-562"},"PeriodicalIF":1.8,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141952363","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
Ultrafast photochemical processes in the complex trans,trans,trans-[Ptiv(py)2(N3)2(OH)2] 反式、反式、反式-[Ptiv(py)2(N3)2(OH)2]复合物中的超快光化学过程
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-07-01 DOI: 10.1016/j.mencom.2024.06.006
Grigory I. Zhdankin , Ivan P. Pozdnyakov , Alexander V. Mikheylis , Vjacheslav P. Grivin , Danila B. Vasilchenko , Alexei A. Melnikov , Sergei V. Chekalin , Evgeni M. Glebov
{"title":"Ultrafast photochemical processes in the complex trans,trans,trans-[Ptiv(py)2(N3)2(OH)2]","authors":"Grigory I. Zhdankin ,&nbsp;Ivan P. Pozdnyakov ,&nbsp;Alexander V. Mikheylis ,&nbsp;Vjacheslav P. Grivin ,&nbsp;Danila B. Vasilchenko ,&nbsp;Alexei A. Melnikov ,&nbsp;Sergei V. Chekalin ,&nbsp;Evgeni M. Glebov","doi":"10.1016/j.mencom.2024.06.006","DOIUrl":"10.1016/j.mencom.2024.06.006","url":null,"abstract":"<div><p>Using ultrafast transient absorption spectroscopy, primary photophysical processes in aqueous and acetonitrile solutions of the <em>trans</em>,<em>trans</em>,<em>trans</em>-[Pt<sup>iv</sup> (N<sub>3</sub>)<sub>2</sub>(py)<sub>2</sub>(OH)<sub>2</sub>] complex, which is interesting as a potential light-activated anticancer drug, were investigated. A mechanism for early photoprocesses has been proposed, including ultrafast intersystem crossing and reductive dissociation.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 4","pages":"Pages 488-491"},"PeriodicalIF":1.8,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141963690","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
Effect of particle size of titanium oxide β-Ti3O5 on its thermal stability 氧化钛 β-Ti3O5 的粒度对其热稳定性的影响
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-07-01 DOI: 10.1016/j.mencom.2024.06.043
Albina A. Valeeva , Evgeny Yu. Gerasimov , Olga G. Reznitskikh
{"title":"Effect of particle size of titanium oxide β-Ti3O5 on its thermal stability","authors":"Albina A. Valeeva ,&nbsp;Evgeny Yu. Gerasimov ,&nbsp;Olga G. Reznitskikh","doi":"10.1016/j.mencom.2024.06.043","DOIUrl":"10.1016/j.mencom.2024.06.043","url":null,"abstract":"<div><p>It was established that the particle size of titanium oxide β-Ti<sub>3</sub>O<sub>5</sub> has a great influence on the processes of phase formation and the stability of particles during heating. It was shown that at a temperature of about 456 K, β-Ti<sub>3</sub>O<sub>5</sub> micro crystals undergo a reversible first-order phase transition, in which the low- temperature β-Ti<sub>3</sub>O<sub>5</sub> phase is transformed into the high-temperature λ- Ti<sub>3</sub>O<sub>5</sub> phase, and at higher temperatures the β-Ti<sub>3</sub>O<sub>5</sub> phase is partially oxidized to form the Magnéli phase Ti<sub>4</sub>O<sub>7</sub>. It was found that β-Ti<sub>3</sub>O<sub>5</sub> nanocrystals are unstable in an argon atmosphere and at temperatures above 400 K the β-Ti<sub>3</sub>O<sub>5</sub> powder is oxidized.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 4","pages":"Pages 601-603"},"PeriodicalIF":1.8,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141963698","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
Synthesis, structure and cytotoxicity of novel tetrazolo[1’,5’-c]-fused 3-aza-A-homosteroids 新型四唑并[1',5'-c]融合 3-氮杂-A-类固醇的合成、结构和细胞毒性
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-07-01 DOI: 10.1016/j.mencom.2024.06.011
Evgenii I. Rodionov , Alina A. Rodionova , Alla D. Zorina , Olesya V. Khoroshilova , Vitalii V. Suslonov , Elizaveta V. Lider , Yuliya A. Golubeva , Lyubov S. Klyushova , Yuri B. Porozov , Nikolay N. Kuzmich , Rostislav E. Trifonov
{"title":"Synthesis, structure and cytotoxicity of novel tetrazolo[1’,5’-c]-fused 3-aza-A-homosteroids","authors":"Evgenii I. Rodionov ,&nbsp;Alina A. Rodionova ,&nbsp;Alla D. Zorina ,&nbsp;Olesya V. Khoroshilova ,&nbsp;Vitalii V. Suslonov ,&nbsp;Elizaveta V. Lider ,&nbsp;Yuliya A. Golubeva ,&nbsp;Lyubov S. Klyushova ,&nbsp;Yuri B. Porozov ,&nbsp;Nikolay N. Kuzmich ,&nbsp;Rostislav E. Trifonov","doi":"10.1016/j.mencom.2024.06.011","DOIUrl":"10.1016/j.mencom.2024.06.011","url":null,"abstract":"<div><p>A series of new 1<em>’H</em>-tetrazolo[1<em>’</em>,5<em>’</em>-<em>c</em>]-fused 3-aza-A- homosteroids were synthesized by azidation of progesterone, testosterone and hydrocortisone acetate in the presence of silicon tetrachloride. According to NMR spectroscopy and X-ray analysis, two double bond positional isomers (double bond in ring A or in ring B) are formed in various ratios; according to quantum chemical calculations, their energies are close within 0.4 kcal mol<sup>-1</sup>. Only low cytotoxic activity against Hep-2, MCF-7, HepG2, and Hek293 cell lines was determined <em>in vitro</em> for the compounds obtained.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 4","pages":"Pages 505-508"},"PeriodicalIF":1.8,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141952359","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
6-Phenyl-1,5-diazabicyclo[3.1.0]hexane: structure variations going from gas to crystal phase 6-苯基-1,5-二氮杂双环[3.1.0]己烷：从气相到晶相的结构变化
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-07-01 DOI: 10.1016/j.mencom.2024.06.024
Ilya I. Marochkin , Pavel Yu. Sharanov , Vladimir V. Kuznetsov , Igor F. Shishkov , Yulia V. Novakovskaya
{"title":"6-Phenyl-1,5-diazabicyclo[3.1.0]hexane: structure variations going from gas to crystal phase","authors":"Ilya I. Marochkin ,&nbsp;Pavel Yu. Sharanov ,&nbsp;Vladimir V. Kuznetsov ,&nbsp;Igor F. Shishkov ,&nbsp;Yulia V. Novakovskaya","doi":"10.1016/j.mencom.2024.06.024","DOIUrl":"10.1016/j.mencom.2024.06.024","url":null,"abstract":"<div><p>Based on gas electron diffraction experiments supported by quantum chemical simulations, the molecular structure of 6-phenyl-1,5-diazabicyclo[3.1.0]hexane (PhDBH) in the gas phase was determined, which is characterized by the puckering motion of the five-membered ring typical of bicyclo[3.1.0]- hexanes. It was found that the previously determined crystal packing is accompanied by a certain torsional twisting of the molecule, requiring activation energy. Based on the simulations of PhDBH clusters, it was shown that the energy is compensated by intermolecular interactions.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 4","pages":"Pages 543-546"},"PeriodicalIF":1.8,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141952360","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
Probing transferability of intermolecular interactions by their features: a nitro group case study 通过分子间相互作用的特征探究其转移性：硝基案例研究
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-07-01 DOI: 10.1016/j.mencom.2024.06.023
Ivan V. Ananyev, Leonid L. Fershtat
{"title":"Probing transferability of intermolecular interactions by their features: a nitro group case study","authors":"Ivan V. Ananyev,&nbsp;Leonid L. Fershtat","doi":"10.1016/j.mencom.2024.06.023","DOIUrl":"10.1016/j.mencom.2024.06.023","url":null,"abstract":"<div><p>Based on the processing of supramolecular environments of nitro group from Cambridge Structural Database by means of the ‘Atoms in Molecules’ analysis of promolecular electron density function, it is demonstrated that the topological stability of intermolecular bonding within one associate reflects trends in prevalence of interactions with particular geometry in real crystals.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 4","pages":"Pages 540-542"},"PeriodicalIF":1.8,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141952365","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 pyridine dithiaazacrown ether derivatives: synthesis, structural characterization, in silico and in vitro biological studies 新吡啶二硫杂蒽醚衍生物：合成、结构表征、硅学和体外生物学研究
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-07-01 DOI: 10.1016/j.mencom.2024.06.014
Van T.T. Tran , Nhung T. Dao , Thuyen T. Do , Tam T.T. Pham , Duan T. Le , Victor N. Khrustalev , Phuong T.T. Nguyen , Anh T. Le
{"title":"New pyridine dithiaazacrown ether derivatives: synthesis, structural characterization, in silico and in vitro biological studies","authors":"Van T.T. Tran ,&nbsp;Nhung T. Dao ,&nbsp;Thuyen T. Do ,&nbsp;Tam T.T. Pham ,&nbsp;Duan T. Le ,&nbsp;Victor N. Khrustalev ,&nbsp;Phuong T.T. Nguyen ,&nbsp;Anh T. Le","doi":"10.1016/j.mencom.2024.06.014","DOIUrl":"10.1016/j.mencom.2024.06.014","url":null,"abstract":"<div><p>New derivatives of dithiaazacrown ethers containing ψ-arylpyridine subunits were prepared based on the Hantzsch synthesis. The obtained compounds showed potential activities toward Hep-G2 cancer cell line, in both <em>in silico</em> and <em>in vitro</em> studies. The compounds were also good ligands for complex chemistry with metal ions due to possessing up to four heteroatoms and relatively big size of the crown ring.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 4","pages":"Pages 514-517"},"PeriodicalIF":1.8,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141963704","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
Synthesis, structure, and photoluminescent properties of a mixed carboxylate pentafluorobenzoate–phenylacetate complex of terbium 五氟苯甲酸-苯乙酸混合羧基铽络合物的合成、结构和光致发光特性
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-07-01 DOI: 10.1016/j.mencom.2024.06.005
Natalia V. Gogoleva , Maxim A. Shmelev , Aleksandr S. Chistyakov , Galina A. Razgonyaeva , Vladislav M. Korshunov , Alisia V. Tsorieva , Ilya V. Taydakov , Alexey A. Sidorov , Igor L. Eremenko
{"title":"Synthesis, structure, and photoluminescent properties of a mixed carboxylate pentafluorobenzoate–phenylacetate complex of terbium","authors":"Natalia V. Gogoleva ,&nbsp;Maxim A. Shmelev ,&nbsp;Aleksandr S. Chistyakov ,&nbsp;Galina A. Razgonyaeva ,&nbsp;Vladislav M. Korshunov ,&nbsp;Alisia V. Tsorieva ,&nbsp;Ilya V. Taydakov ,&nbsp;Alexey A. Sidorov ,&nbsp;Igor L. Eremenko","doi":"10.1016/j.mencom.2024.06.005","DOIUrl":"10.1016/j.mencom.2024.06.005","url":null,"abstract":"<div><p>A complex of mixed carboxylate pentafluorobenzoate (pfb) and phenylacetate (PhAc), <em>viz</em>. [Tb<sub>2</sub>(phen)<sub>2</sub>(pfb)<sub>2</sub>(PhAc)<sub>4</sub>] (phen is 1,10-phenanthroline), where each rare earth element (REE) ion is simultaneously coordinated to pentafluorobenzoic and phenylacetic acid anions, was for the first time synthesized and structurally characterized. To evaluate the influence of the second type of anion on the structure and photoluminescent properties, compounds with phenylacetic acid anions [Tb<sub>2</sub>(phen)<sub>2</sub>(PhAc)<sub>6</sub>] and pentafluorobenzoic acid anions [Tb<sub>2</sub>(EtOH)<sub>2</sub>(phen)<sub>2</sub>(pfb)<sub>6</sub>] were obtained. A change in the composition of the compounds from the phenylacetic acid anion to pentafluorobenzoate led to a change in the geometry of the metal scaffold and the REE polyhedron, a rearrangement of the system of non-covalent interactions according to the Hirshfeld surface analysis, and enhanced luminescence.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 4","pages":"Pages 484-487"},"PeriodicalIF":1.8,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141952355","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
Cyclization of adiponitrile in the reaction with diphenylzirconocene 己二腈与二苯基锆烯的环化反应
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-07-01 DOI: 10.1016/j.mencom.2024.06.026
Maxim V. Andreev , Iuliia A. Akishkina , Vyacheslav S. Bogdanov , Alexander F. Smol’yakov , Vladimir V. Burlakov
{"title":"Cyclization of adiponitrile in the reaction with diphenylzirconocene","authors":"Maxim V. Andreev ,&nbsp;Iuliia A. Akishkina ,&nbsp;Vyacheslav S. Bogdanov ,&nbsp;Alexander F. Smol’yakov ,&nbsp;Vladimir V. Burlakov","doi":"10.1016/j.mencom.2024.06.026","DOIUrl":"10.1016/j.mencom.2024.06.026","url":null,"abstract":"<div><p>Intramolecular cyclization of adiponitrile with the formation of an amidinate functional group in zirconium coordination sphere was found. The obtained complex can be protolyzed with HCl in dioxane to afford a new representative of amidines, namely, 7-phenyl-1,3,4,5-tetrahydro-2<em>H</em>-azepin-2- imine in hydrochloride form.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 4","pages":"Pages 550-551"},"PeriodicalIF":1.8,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141953056","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
The homodimer approach to the design of a new long-acting depot prodrug of abiraterone 设计阿比特龙新型长效去势原药的同源二聚体方法
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-07-01 DOI: 10.1016/j.mencom.2024.06.010
Evgeniya V. Nurieva , Oxana Yu. Kravtsova , Anna V. Sydoriuk , Elena V. Britikova , Vladimir V. Britikov , Nikolay A. Zefirov , Elena R. Milaeva , Olga N. Zefirova
{"title":"The homodimer approach to the design of a new long-acting depot prodrug of abiraterone","authors":"Evgeniya V. Nurieva ,&nbsp;Oxana Yu. Kravtsova ,&nbsp;Anna V. Sydoriuk ,&nbsp;Elena V. Britikova ,&nbsp;Vladimir V. Britikov ,&nbsp;Nikolay A. Zefirov ,&nbsp;Elena R. Milaeva ,&nbsp;Olga N. Zefirova","doi":"10.1016/j.mencom.2024.06.010","DOIUrl":"10.1016/j.mencom.2024.06.010","url":null,"abstract":"<div><p>The synthesis of homodimeric bis<em>-</em>esters of abiraterone (an inhibitor of androgens synthesis used for treatment of prostate cancer) as a novel depot form of the drug intended for parenteral administration has been undertaken. The conjugate with succinic linker has been synthesized, while only mono-esters of malic and citric acid were obtained. The target ‘twin’ demonstrated excellent characteristics in preliminary biotests, proving the concept of long-lasting depot-prodrug.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 4","pages":"Pages 502-504"},"PeriodicalIF":1.8,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141959884","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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