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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
{"title":"Ultrafast photochemical processes in the complex trans,trans,trans-[Ptiv(py)2(N3)2(OH)2]","authors":"","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":null,"pages":null},"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
A metal-templated synthesis of precursors for (2S)- and (2R)-2-(3-[18F]fluoropropyl)tyrosines as potential radiotracers for positron emission tomography (2S)-和(2R)-2-(3-[18F]氟丙基)酪氨酸作为正电子发射断层扫描潜在放射性示踪剂前体的金属催化合成方法
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-07-01 DOI: 10.1016/j.mencom.2024.06.008
{"title":"A metal-templated synthesis of precursors for (2S)- and (2R)-2-(3-[18F]fluoropropyl)tyrosines as potential radiotracers for positron emission tomography","authors":"","doi":"10.1016/j.mencom.2024.06.008","DOIUrl":"10.1016/j.mencom.2024.06.008","url":null,"abstract":"<div><p>New asymmetric metal-templated synthesis of enantiomers of (2<em>S</em>)- and (2<em>R</em>)-2-(3-[<sup>19</sup>F]fluoropropyl)tyrosine precursors were obtained based on a chiral Ni<sup>II</sup> complex of the Schiff base derived from (<em>S</em>)-2-[<em>N</em>-(<em>N’</em>-benzylprolyl)amino]-benzaldehyde and racemic tyrosine in five steps. The free tyrosine derivatives which can be obtained upon decomplexation seem promising radiotracers for positron emission tomography imaging provided the introduction of <sup>18</sup>F isotope.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141952354","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
{"title":"Effect of particle size of titanium oxide β-Ti3O5 on its thermal stability","authors":"","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":null,"pages":null},"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
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
{"title":"6-Phenyl-1,5-diazabicyclo[3.1.0]hexane: structure variations going from gas to crystal phase","authors":"","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":null,"pages":null},"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
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
{"title":"New pyridine dithiaazacrown ether derivatives: synthesis, structural characterization, in silico and in vitro biological studies","authors":"","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":null,"pages":null},"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 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
{"title":"Synthesis, structure and cytotoxicity of novel tetrazolo[1’,5’-c]-fused 3-aza-A-homosteroids","authors":"","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":null,"pages":null},"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
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
{"title":"Probing transferability of intermolecular interactions by their features: a nitro group case study","authors":"","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":null,"pages":null},"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
The reaction of 1-alkyl-3-phenylpropynones with aromatic aldehydes: an update 1- 烷基-3-苯基丙炔酮与芳香醛的反应：最新进展
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-07-01 DOI: 10.1016/j.mencom.2024.06.037
{"title":"The reaction of 1-alkyl-3-phenylpropynones with aromatic aldehydes: an update","authors":"","doi":"10.1016/j.mencom.2024.06.037","DOIUrl":"10.1016/j.mencom.2024.06.037","url":null,"abstract":"<div><p>1-Alkyl-3-phenylprop-2-yn-1-ones smoothly react with aromatic aldehydes in the presence of triphenylphosphine (acetonitrile, room temperature, 24 h) to regio- and stereo- selectively afford (<em>Z</em>)-2-benzylideneoxacyclopentan-3-ones in yields up to 93%. The proposed mechanism for the transformation involves 1,3-<em>H</em> proton shift from the alkyl group at the intermediate β-phosphoniovinylide species.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141963695","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
{"title":"Synthesis, structure, and photoluminescent properties of a mixed carboxylate pentafluorobenzoate–phenylacetate complex of terbium","authors":"","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":null,"pages":null},"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
Synthesis of pseudocyclic peptide of protein S of SARS-CoV-2 and its interaction with diagnostically significant antibodies of COVID-19 patients SARS-CoV-2 蛋白 S 的伪环肽的合成及其与 COVID-19 患者具有诊断意义的抗体的相互作用
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-07-01 DOI: 10.1016/j.mencom.2024.06.009
{"title":"Synthesis of pseudocyclic peptide of protein S of SARS-CoV-2 and its interaction with diagnostically significant antibodies of COVID-19 patients","authors":"","doi":"10.1016/j.mencom.2024.06.009","DOIUrl":"10.1016/j.mencom.2024.06.009","url":null,"abstract":"<div><p>An approach to the design of pseudocyclic peptide epitopes is proposed: lipid tails are attached to both C- and N-termini of the peptide through hydrophilic spacers; thanks to two lipid anchors, the conjugate is inserted into the membrane at two sites simultaneously, and the peptide becomes conformation- constrained. Despite the presence of two long lipid regions, the high hydrophilicity of the spacer makes the entire structure water-soluble, which is crucial for integration into living cells.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141959885","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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