Journal of Structural Chemistry最新文献_第4页

Synthesis of New Diffractaic Acid Derivatives and a Study of their Activity Against the Strain A2 RSV 新型衍射酸衍生物的合成及其抗A2 RSV活性研究

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-12-27 DOI: 10.1134/S0022476624120096

A. S. Filimonov, A. A. Diveikina, O. A. Luzina, A. A. Shtro, A. V. Galochkina, A. M. Klabukov, D. N. Razgulyaeva, N. F. Salakhutdinov

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Study of the Effect of Synthesis Parameters on the Phase Formation Conditions for Indium, Gallium, and Zinc Oxides 合成参数对铟、镓、锌氧化物相形成条件影响的研究

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-12-27 DOI: 10.1134/S0022476624120060

I. A. Solizoda, S. A. Sozykin, G. M. AuthorName Chernukha, S. A. Gudkova, D. A. Vinnik

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Nickel(II) Complexes Based on Pyridyl- and Quinolyl-Containing Dialkylphosphine Oxides 含吡啶基和喹啉基二烷基膦氧化物的镍（II）配合物

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-12-27 DOI: 10.1134/S0022476624120138

K. R. Enikeeva, I. A. Litvinov, A. P. Lyubina, A. D. Voloshina, E. I. Musina, A. A. Karasik

{"title":"Nickel(II) Complexes Based on Pyridyl- and Quinolyl-Containing Dialkylphosphine Oxides","authors":"K. R. Enikeeva, I. A. Litvinov, A. P. Lyubina, A. D. Voloshina, E. I. Musina, A. A. Karasik","doi":"10.1134/S0022476624120138","DOIUrl":"10.1134/S0022476624120138","url":null,"abstract":"The [Ni(L1)2(H2O)2](BF4)2(1-H2O) and [Ni(L2)2](BF4)2 (2) bis-chelate nickel(II) complexes based on 1,5-N,O-ligands, namely, (diisopropyl(pyridin-2-ylmethyl)phosphine oxide L1 and diisopropyl(quinolin-2-ylmethyl)phosphine oxide L2) are prepared. The structure and composition of 1-H2O and 2 are confirmed by mass spectroscopy, IR spectroscopy, thermogravimetric analysis, and elemental analysis. The compounds dissociate in solutions so that aqualigands in 1-H2O are replaced by acetonitrile to form the [Ni(L1)2(CH3CN)2](BF4)2(1-CH3CN) complex and phosphine oxide ligands in 2 are replaced by six water molecules to form the [Ni2(L2)4(H2O)12](BF4)2 hydrogen-bonded hexaaquanickel(II) agglomerate (3). The structure of 1-H2O, 1-CH3CN, and 3 in crystals are determined by XRD. Cytotoxic properties of the synthesized nickel(II) complexes against M-HeLa and HuTu80 cancer cells and normal Chang Liver cell lines are studied.","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 12","pages":"2499 - 2510"},"PeriodicalIF":1.2,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142890020","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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Analysis of the Formation of Solid Solutions of REE Orthochromites 稀土正长石固溶体的形成分析

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-12-27 DOI: 10.1134/S0022476624120114

V. D. Zhuravlev, E. A. Sherstobitova

{"title":"Analysis of the Formation of Solid Solutions of REE Orthochromites","authors":"V. D. Zhuravlev, E. A. Sherstobitova","doi":"10.1134/S0022476624120114","DOIUrl":"10.1134/S0022476624120114","url":null,"abstract":"The dependence of unit cell parameters (UCPs) of LnCrO3 (Ln = La–Lu, Y) orthochromites on effective ionic radii of Ln3+ cations is analyzed. It is shown that these dependences can be described by the following equations: (a = {69}.{831}R_{text{Ln}}^{3}-{223}.{91}R_{text{Ln}}^{2}text{+} {238}.{76}{{R}_{text{Ln}}}-{79}.{162}) Å; b = 1.5893RLn + 5.9242 Å, c = 1.8469 RLn + 3.3691 Å, and V = 121.85RLn + 93.97 Å3, where RLn is the effective ionic radius of the Ln3+ cation with a confidence probability of 0.775, 0.989, 0.998, and 0.990, respectively. The obtained equations can be use in a priory calculations of the UCPs of isovalent solid substitution solutions of REE orthochromites (including high-entropy ones) using average effective radii of substituted Ln3+ cations. The tolerance factors of REE-, bismuth-, thallium-, and indium orthochromites are calculated. The possibility that an orthorhombic perovskite structure can be formed by the interaction of REE orthochromites with non-isostructural BiCrO3 and ScCrO3 chromites is considered.","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 12","pages":"2478 - 2488"},"PeriodicalIF":1.2,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142890414","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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Synthesis of Ethyl-2-Amino-1-(hetarylamido)-4-oxo-5-(2-oxo-2-phenylethylidene)-4,5-Dihydro-1H-Pyrrole-3-Carboxylates, the Study of their Antioxidant Activity, and the Ouantum Chemical Estimation of their Electronic Parameters 乙基-2-氨基-1-（己基酰胺）-4-氧-5-（2-氧-2-苯乙基）-4,5-二氢- 1h -吡咯-3-羧酸酯的合成、抗氧化活性研究及其电子参数的量子化学估计

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-12-27 DOI: 10.1134/S0022476624120011

M. G. Ilyina, M. V. Shustov, N. M. Igidov, E. M. Khamitov, S. S. Borisevich, S. S. Zykova

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Zinc Metal-Organic Coordination Polymer with 4,7-di(1,2,4-triazol-1-yl)-2,1,3-Benzothiadiazole and 1,4-Naphthalene Dicarboxylic Acid: Luminescent Properties and Guest–Host Charge Transfer 含4,7-二（1,2,4-三唑-1-基）-2,1,3-苯并噻唑和1,4-萘二羧酸的锌金属-有机配位聚合物：发光性质和主客体电荷转移

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-12-27 DOI: 10.1134/S0022476624120199

D. I. Pavlov, A. A. Ryadun, V. P. Fedin, A. S. Potapov

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Consideration of the Sample Eccentricity in the Measurement of Unit Cell Parameters of Small Single Crystals in Bond’s Scheme Implemented in Modern Diffractometers 在现代衍射仪中实现Bond方案测量小单晶单晶胞参数时样品偏心的考虑

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-12-27 DOI: 10.1134/S0022476624120102

A. L. Kudryavtsev, S. A. Gromilov

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Synthesis, Structure, and Properties of Asymmetric Fluorinated Magnesium β-Diketonate Complexes 不对称氟化镁β-二酮酸配合物的合成、结构和性质

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-12-02 DOI: 10.1134/S0022476624110131

S. S. Krutskikh, D. V. Kochelakov, A. A. Nazarova, I. V. Korolkov, L. N. Zelenina, E. S. Vikulova

{"title":"Synthesis, Structure, and Properties of Asymmetric Fluorinated Magnesium β-Diketonate Complexes","authors":"S. S. Krutskikh, D. V. Kochelakov, A. A. Nazarova, I. V. Korolkov, L. N. Zelenina, E. S. Vikulova","doi":"10.1134/S0022476624110131","DOIUrl":"10.1134/S0022476624110131","url":null,"abstract":"New complexes of magnesium with asymmetric fluorinated β-diketones are synthesized: pentafluoropropionyl (Hpfpac, 6,6,6,5,5-pentafluorohexane-2,4-dione) and heptafluorobutyrylacetone (Hhfbac, 7,7,7,6,6,5,5-heptafluoroheptane-2,4-dione). The [Mg(H2O)(EtOH)(pfpac)2] 1 and [Mg(H2O)2(hfbac)2]·H2O 2 phases are characterized by a number of methods. The structures of crystals of 1, 2, and [Mg(EtOH)2(hfbac)2] 3 are determined by the single crystal X-ray diffraction analysis. Magnesium atoms have a distorted octahedral environment, and neutral ligands are in the trans-position. Molecules are involved in systems of OH⋯Odik hydrogen bonds, forming layers (2) or chains (1, 3). A relative evaluation shows that 2 is more volatile than 1. Structures of molecules and packing characters are compared with those of a series of related β-diketonate complexes. The effect of an increase in the ligand perfluoroalkyl chain (L = tfac, trifluoroacetylacetonate ion), including isoformular [Mg(H2O)2(L)2]·H2O, is shown.","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 11","pages":"2260 - 2271"},"PeriodicalIF":1.2,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142761873","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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Complexes of Rare Earth Metals with Bromine-Substituted (Benzoxazolyl)Naphtholate Ligands as Emissive Materials 稀土金属与溴取代（苯并恶唑）萘磺酸盐配体配合物的发射材料

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-12-02 DOI: 10.1134/S0022476624110064

D. M. Kuzyaev, T. V. Balashova, S. K. Polyakova, V. A. Ilichev, A. N. Yablonskiy, E. V. Baranov, G. K. Fukin, M. N. Bochkarev

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Synthesis, Characterization, Molecular Modeling and Investigation of Biological Activity of the Novel Schiff Base (E)-2-(((4-Bromothiophen-2-Yl)Methylene)Amino)-5-Methylphenol 新型希夫碱（E)-2-（（4-溴噻吩-2-酰基）亚甲基）氨基）-5-甲基苯酚的合成、表征、分子模拟及生物活性研究

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-12-02 DOI: 10.1134/S0022476624110106

E. Kalem, Ş. Aşkar, N. K. Kınaytürk, T. Yeşilkaynak, E. Ağar, F. M. Emen

{"title":"Synthesis, Characterization, Molecular Modeling and Investigation of Biological Activity of the Novel Schiff Base (E)-2-(((4-Bromothiophen-2-Yl)Methylene)Amino)-5-Methylphenol","authors":"E. Kalem, Ş. Aşkar, N. K. Kınaytürk, T. Yeşilkaynak, E. Ağar, F. M. Emen","doi":"10.1134/S0022476624110106","DOIUrl":"10.1134/S0022476624110106","url":null,"abstract":"The novel Schiff base derivative (E)-2-(((4-bromothiophen-2-yl)methylene)amino)-5-methylphenol (HL) was synthesized and characterized via FTIR, elemental analysis, UV-Vis, 1H NMR and 13C NMR techniques. Quantum chemical calculations were performed with the density functional theory at the B3LYP level with the 6-311++G(d,p) basis tuned in the gas phase of the isolated compounds in the ground state. The HL Schiff base crystallizes in the monoclinic crystal system with C2/c (no. 15) space group, Z = 8, a = 14.286(2) Å, b = 6.4736(9) Å, c = 26.256(4) Å. The thermal properties of HL Schiff base were investigated via DTA/TGA/TG curves. The antibacterial activity of the HL Schiff base against ESBL E. coli and MRSA was investigated. In the disk diffusion test, the zone of inhibition was determined against MRSA while it was not determined against ESBL E.coli. In addition, different levels of antibacterial activity were observed against all bacteria in the broth microdilution test.","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 11","pages":"2223 - 2241"},"PeriodicalIF":1.2,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142761868","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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