G. A. Kovalenko, L. V. Perminova, O. A. Borodina, Yu. V. Larichev, A. N. Salanov
{"title":"SAXS and SEM Studies of Supramolecular Aggregation of Enzymes on Carbon Adsorbent Surfaces and the Effect of this Process on the Biocatalytic Properties of Immobilized Lipase","authors":"G. A. Kovalenko, L. V. Perminova, O. A. Borodina, Yu. V. Larichev, A. N. Salanov","doi":"10.1134/S0022476625090136","DOIUrl":"10.1134/S0022476625090136","url":null,"abstract":"<p>The distribution character and supramolecular aggregation of the enzyme - recombinant lipase (rec-Lip) on the surfaces of carbon adsorbents, such as multiwalled carbon nanotubes (MWCNTs) and pyrocarbon supports (Sibunit<sup><b>TM</b></sup>, activated carbon) are examined by small angle X-ray scattering (SAXS) and scanning electron microscopy (SEM) techniques. The SAXS studies show that rec-Lip molecules aggregate on the carbon surface with the formation of nanoparticles with sizes from 4 nm (monomers) to 26 nm (aggregates of more than 10 molecules). SEM images demonstrate that not only single round nanoparticles with a size more than 20 nm but also complex branched aggregates formed by short fibrils of single nanoparticles are observed on the surface. It is revealed that the enzyme activity of biocatalysts prepared by rec-Lip adsorption on carbon supports has the minimum value if the enzyme is in the monomeric form. Information about the distribution character of the immobilized enzyme on the adsorbent surfaces and about its supramolecular aggregation is not only of the fundamental value for heterogeneous biocatalysis, but are also of scientific and practical value because these processes govern the properties of biocatalysts, primarily, their enzyme activity.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 9","pages":"1908 - 1921"},"PeriodicalIF":1.4,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248245","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}
Z. Hu, Q. -W. Yang, Y. -C. Zhou, Y. -L. Ren, Y. Lei
{"title":"Synthesis, Characterization and X-Ray Crystal Structures of Two Schiff Base Copper(II) Complexes with Catalytic Property","authors":"Z. Hu, Q. -W. Yang, Y. -C. Zhou, Y. -L. Ren, Y. Lei","doi":"10.1134/S0022476625090094","DOIUrl":"10.1134/S0022476625090094","url":null,"abstract":"<p>Two new copper(II) complexes, [Cu<sub>2</sub>(L<sup>a</sup>)<sub>2</sub>(OAc)<sub>2</sub>]·2H<sub>2</sub>O (<b>1</b>) and [Cu(L<sup>b</sup>)<sub>2</sub>] (<b>2</b>), where L<sup>a</sup> and L<sup>b</sup> are the deprotonated monoanionic form of 5-bromo-2-(ethylaminoethylimino)methyl)phenol (HL<sup>a</sup>) and 5-bromo-2-cyclohexyliminomethylphenol (HL<sup>b</sup>), respectively, have been synthesized and characterized by elemental analysis, infrared and electronic spectroscopy. Structures of both complexes were further determined by single crystal X-ray diffraction. Complexes <b>1</b> and <b>2</b> were synthesized from copper acetate with HL<sup>a</sup> and HL<sup>b</sup>, respectively in methanol. The Cu atoms in complex <b>1</b> are in octahedral coordination, while that in <b>2</b> is in square planar coordination. The two complexes have high catalytic property for the epoxidation of styrene, with conversions over 90% and selectivity over 85%.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 9","pages":"1873 - 1882"},"PeriodicalIF":1.4,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248247","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}
M. S. Polyakov, A. S. Sukhikh, D. D. Klyamer, T. V. Basova
{"title":"Structural and Sensing Properties of Tetra-tert-Butyl Substituted Zinc(II) Naphthalocyanine Films","authors":"M. S. Polyakov, A. S. Sukhikh, D. D. Klyamer, T. V. Basova","doi":"10.1134/S0022476625090033","DOIUrl":"10.1134/S0022476625090033","url":null,"abstract":"<p>Structural and sensing characteristics of zinc(II) 2,11,20,29-tetra-<i>tert-</i>butyl<i>-</i>2,3-naphthalocyanine (ZnNc(<i>t</i>Bu)<sub>4</sub>) films are studied. The chemiresistive sensing response of ZnNc(<i>t</i>Bu)<sub>4</sub> films to ammonia in concentrations below the threshold limit value (TLV) in the working zone′s air is considered for the first time. It is shown that the annealing of ZnNc(<i>t</i>Bu)<sub>4</sub> films in air at 250 °C for 3 h causes a phase transition to a stable high-temperature β-phase, increases the crystallite size, and enhances the sensing response to ammonia by 40-45 times, depending on its concentration.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 9","pages":"1797 - 1806"},"PeriodicalIF":1.4,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248294","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}
M. A. Bondarenko, A. S. Zaguzin, N. A. Korobeinikov, R. V. Redkin, E. A. Pilyukova, A. V. Zaitsev, I. V. Korolkov, M. I. Rakhmanova, S. A. Adonin
{"title":"3D Mn(II) Metal–Organic Framework Based on 2,5-Diiodoterephthalate","authors":"M. A. Bondarenko, A. S. Zaguzin, N. A. Korobeinikov, R. V. Redkin, E. A. Pilyukova, A. V. Zaitsev, I. V. Korolkov, M. I. Rakhmanova, S. A. Adonin","doi":"10.1134/S0022476625090100","DOIUrl":"10.1134/S0022476625090100","url":null,"abstract":"<p>A 3D metal–organic framework [Mn<sub>4</sub>(2,5-I-bdc)<sub>4</sub>(DMF)<sub>4</sub>]·0.5DMF (<b>1</b>) is prepared by the reaction of MnCl<sub>2</sub>·4H<sub>2</sub>O with H<sub>2</sub>(2,5-I-bdc) (2,5-diiodoterephthalic acid) and is structurally characterized. Thermal stability and luminescent properties (blue emission) of <b>1</b> are studied.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 9","pages":"1883 - 1893"},"PeriodicalIF":1.4,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248268","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}
A. M. Banaru, M. P. Koroteev, A. O. Pozdeev, V. A. Bataev, A. M. Koroteev, K. A. Lysenko
{"title":"Conformational Isomorphism and Structure Determinants in the Crystal Structure of (2R,3R)-5-(2-(chloroacetoxy)-2-(3,4-diacetoxyphenyl)-4-Oxochroman-3,7-Diyl Diacetate","authors":"A. M. Banaru, M. P. Koroteev, A. O. Pozdeev, V. A. Bataev, A. M. Koroteev, K. A. Lysenko","doi":"10.1134/S0022476625090070","DOIUrl":"10.1134/S0022476625090070","url":null,"abstract":"<p>(2<i>R</i>,3<i>R</i>)-5-(2-(Chloroacetoxy)-2-(3,4-diacetoxyphenyl)-4-oxochroman-3,7-diyl diacetate containing two symmetrically independent molecules in the crystal unit cell is analyzed by single crystal X-ray diffraction. Molecular coordination numbers are studied in the crystal structure together with the topology of nets of intermolecular contacts. Intermolecular interaction energies are calculated and Hirshfeld surfaces of symmetrically independent molecules are analyzed.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 9","pages":"1847 - 1863"},"PeriodicalIF":1.4,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248269","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}
R. Gao, Y. Ji, Y. Cai, X. Ma, Z. Li, S. Jin, D. Wang
{"title":"Preparation, Crystallographic Feature, and Hirshfeld Surface Analysis of Two Organic Salts Based","authors":"R. Gao, Y. Ji, Y. Cai, X. Ma, Z. Li, S. Jin, D. Wang","doi":"10.1134/S0022476625090069","DOIUrl":"10.1134/S0022476625090069","url":null,"abstract":"<p>Two salts of 1,2-diaminobenzene (dab) as acceptor with the trichloroacetic acid and 4-nitro-phthalic acid as donor were prepared and featured by the multiple analytical techniques of FTIR, elemental analysis (EA), and single crystal X-ray diffraction (SCXRD). The structural studies tell that the cation and anion are joined together by the energetic N<sup>+</sup>–H⋯O<sup>–</sup> H-bonds due to the transfer of the proton from the donor to the acceptor. The salts show well resolved proton transfer bands in the regions where neither the donor nor the acceptor has any IR peaks. Spectrophotomeric and crystallographic studies have ensured the formation of 2:1/1:1 salts. The chief non-covalent interactions were counted <i>via</i> the Hirshfeld surface analysis. Despite variations of the carboxylic acids, there both bore the strong intermolecular N–HO H-bonds. Apart from the strong classical H-bonds, other supramolecular associates of O–O, Cl–C/Cl–O/Cl–Cl, CH–O, C–π, and π–π are also involved in the spatial stretchings. The anionic C7 chain was built at <b>2</b> by the O–H⋯O H-bonds. The roles of these non-covalent contacts are made clear. For the combination of the weak contacts, both salts exhibited the 3D views.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 9","pages":"1831 - 1846"},"PeriodicalIF":1.4,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248297","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}
{"title":"Erratum to: Synthesis, and Crystal Strucrures of a 1D Cobalt-Coordination Polymer Based on a Flexible Imidazole-Linked Naphthalenediimide Ligand and its Polymorphic Forms","authors":"J. K. Nath, N. Phukan, K. K. Bania","doi":"10.1134/S0022476625090227","DOIUrl":"10.1134/S0022476625090227","url":null,"abstract":"","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 9","pages":"2007 - 2007"},"PeriodicalIF":1.4,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248298","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}
{"title":"Structure and 19F, 1H NMR Spectra of Zinc Hexafluorozirconate Hydrates","authors":"A. B. Slobodyuk, M. M. Polyantsev, N. A. Didenko","doi":"10.1134/S0022476625090045","DOIUrl":"10.1134/S0022476625090045","url":null,"abstract":"<p>A series of ZnZrF<sub>6</sub>·<i>n</i>H<sub>2</sub>O (<i>n</i> = 6, 5, 4, 2, 0) hexafluorozirconates is studied by <sup>19</sup>F, <sup>1</sup>H NMR. Assignments are made for the obtained <sup>19</sup>F MAS NMR signals. Behavior of the shape of NMR spectra and positions of their signals upon structural changes is considered depending on the composition and hydration degree of the cation. The obtained data are compared with known NMR data for fluorozirconates. The shapes of broad lines of the recorded spectra are analyzed, and their temperature dependence as a result of reorientational motions of water molecules (<i>n</i> = 2, 5), <span>(text{ZrF}_{ 6}^{2-})</span> ions (<i>n</i> = 6), and ZnF<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub> ions (<i>n</i> = 4) is considered.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 9","pages":"1807 - 1819"},"PeriodicalIF":1.4,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248308","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}
A. Y. Punda, V. E. Zhivulin, D. S. Klygach, S. A. Gudkova, D. A. Vinnik
{"title":"Crystal Structure and Electrodynamic Parameters of the BaFe12–xInxO19 (x = 0–5) Indium-Doped Barium Hexaferrite","authors":"A. Y. Punda, V. E. Zhivulin, D. S. Klygach, S. A. Gudkova, D. A. Vinnik","doi":"10.1134/S002247662509001X","DOIUrl":"10.1134/S002247662509001X","url":null,"abstract":"<p>Barium hexaferrites BaFe<sub>12–<i>x</i></sub>In<sub><i>x</i></sub>O<sub>19</sub> (where <i>x</i> varies from 0 to 5 with a step of 0.25) is prepared by the solid-phase synthesis conducted at 1400 °C for 5 h. The crystal lattice parameters and chemical compositions of the samples prepared are determined. Dielectric and magnetic permeability values are calculated for each sample with <i>x</i> = 0-1.25.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 9","pages":"1777 - 1785"},"PeriodicalIF":1.4,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248382","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}
{"title":"Influence of Hydrated Environment on Luminescent Properties of Pr(III) and Eu(III) Heterolanthanide Complexes with Cucurbituril","authors":"M. I. Rakhmanova, T. S. Sukhikh, E. A. Kovalenko","doi":"10.1134/S002247662509015X","DOIUrl":"10.1134/S002247662509015X","url":null,"abstract":"<p>Supramolecular lanthanide complexes with cucurbituril [{Eu<sub><i>x</i></sub>Pr<sub>1–<i>x</i></sub>(H<sub>2</sub>O)<sub>5</sub>(NO<sub>3</sub>)}<sub>2</sub>CB[6]](NO<sub>3</sub>)<sub>4</sub>·HNO<sub>3</sub> 6H<sub>2</sub>O (<i>x</i> = 0.25, 0.5, 0.75, structural type <b>I</b>) are prepared. Keeping these compounds over CaCl<sub>2</sub> results in a phase transition which is caused by partial loss of water molecules and leads to the formation of [{Eu<sub><i>x</i> Pr1–<i>x</i></sub>(H<sub>2</sub>O)<sub>3</sub>(NO<sub>3</sub>)<sub>2</sub>}<sub>2</sub>CB[6]](NO<sub>3</sub>)<sub>2</sub>HNO<sub>3</sub> (structural type <b>II</b>). The <b>I</b> to <b>II</b> transition takes 24 h and is reversible: when kept in water vapors for 2 h, <b>II</b> transforms completely into <b>I</b>. Luminescent properties of <b>I</b> and <b>II</b> are studied. Differences between the intensities of bands assigned to hypersensitive Eu-centered <sup>5</sup><i>D</i><sub>0</sub> → <sup>7</sup><i>F</i><sub>2</sub> transitions are due to the fact that coordination environments of the central atom are different and contain five (for <b>I</b>) and three (for <b>II</b>) aqualigands. Significantly higher quantum yield of <b>II</b> is due to the suppression of luminescence quenching by O–H vibrations.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 9","pages":"1932 - 1941"},"PeriodicalIF":1.4,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248384","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}