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Cesium Hydrosulfate Phosphate Crystals: Conductivity and Real Structure at Increasing Temperature 磷酸氢硫酸铯晶体：温度升高时的电导率和实际结构
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2025-05-05 DOI: 10.1134/S1063774524602569
R. V. Gainutdinov, A. L. Tolstikhina, I. P. Makarova, S. Leesment, V. A. Komornikov
{"title":"Cesium Hydrosulfate Phosphate Crystals: Conductivity and Real Structure at Increasing Temperature","authors":"R. V. Gainutdinov,&nbsp;A. L. Tolstikhina,&nbsp;I. P. Makarova,&nbsp;S. Leesment,&nbsp;V. A. Komornikov","doi":"10.1134/S1063774524602569","DOIUrl":"10.1134/S1063774524602569","url":null,"abstract":"<p>Cs<sub>3</sub>(HSO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>PO<sub>4</sub>) and Cs<sub>4</sub>(HSO<sub>4</sub>)<sub>3</sub>(H<sub>2</sub>PO<sub>4</sub>) superprotonic crystals have been investigated by conductive atomic force microscopy at increasing temperature. Local <i>I‒V</i> characteristics have been measured and an increase in the conductivity of the Cs<sub>3</sub>(HSO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>PO<sub>4</sub>) and Cs<sub>4</sub>(HSO<sub>4</sub>)<sub>3</sub>(H<sub>2</sub>PO<sub>4</sub>) crystals at 413‒453 K by two and three orders of magnitude, respectively, has been detected. Differences in the conductive characteristics of the crystals of different compositions in the vicinity of the phase transition are shown. Information on topographic and electrical features of the crystalline phases before and after exposure to temperature and electric fields has been obtained. The effect of external factors on the stability of the surface microstructure is evaluated. Possible mechanisms of the structure and phase transformations in the isostructural compounds with different ratios of sulfate and phosphate groups are discussed.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 1","pages":"77 - 82"},"PeriodicalIF":0.6,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","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 Copper Ions on the Crystal Packing and Conformation of Thiocyanate Dehydrogenase in the Crystal Structure 铜离子对硫氰酸脱氢酶晶体结构和结构的影响
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2025-05-05 DOI: 10.1134/S1063774524602478
L. A. Varfolomeeva, A. Yu. Solovieva, N. S. Shipkov, N. I. Dergousova, M. E. Minyaev, K. M. Boyko, T. V. Tikhonova, V. O. Popov
{"title":"Effect of Copper Ions on the Crystal Packing and Conformation of Thiocyanate Dehydrogenase in the Crystal Structure","authors":"L. A. Varfolomeeva,&nbsp;A. Yu. Solovieva,&nbsp;N. S. Shipkov,&nbsp;N. I. Dergousova,&nbsp;M. E. Minyaev,&nbsp;K. M. Boyko,&nbsp;T. V. Tikhonova,&nbsp;V. O. Popov","doi":"10.1134/S1063774524602478","DOIUrl":"10.1134/S1063774524602478","url":null,"abstract":"<p>The copper-containing enzyme thiocyanate dehydrogenase (TcDH) catalyzes the oxidation of thiocyanate to cyanate and elemental sulfur. The three-dimensional structures of two bacterial TcDH (tpTcDH and pmTcDH) are currently known. Both enzymes are dimers and contain a trinuclear copper center in the active site. An important difference between these enzymes is that the subunits of the tpTcDH dimer have identical conformations in the crystal, whereas the subunits of the pmTcDH dimer have different conformations (open and closed). To elucidate the role of copper ions in changing the conformation of TcDH, the structure of the apo form of pmTcDH was established. In the apo form, both subunits of the dimer have a closed conformation. The soaking of apo-form crystals with copper led to the restoration of the trinuclear center and conformational rearrangements of the subunits.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 1","pages":"8 - 15"},"PeriodicalIF":0.6,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908659","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","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 Nickel Nanodisks and Their Application in the Modification of Polyelectrolyte Microcapsule Shells 镍纳米片的合成及其在聚电解质微胶囊壳改性中的应用
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2025-05-05 DOI: 10.1134/S1063774524602703
V. V. Sarukhanova, I. M. Doludenko, D. R. Khairetdinova, V. V. Volkov, A. V. Bakirov, Yu. V. Grigoriev, D. N. Khmelenin, A. V. Mikheev, T. V. Bukreeva
{"title":"Synthesis of Nickel Nanodisks and Their Application in the Modification of Polyelectrolyte Microcapsule Shells","authors":"V. V. Sarukhanova,&nbsp;I. M. Doludenko,&nbsp;D. R. Khairetdinova,&nbsp;V. V. Volkov,&nbsp;A. V. Bakirov,&nbsp;Yu. V. Grigoriev,&nbsp;D. N. Khmelenin,&nbsp;A. V. Mikheev,&nbsp;T. V. Bukreeva","doi":"10.1134/S1063774524602703","DOIUrl":"10.1134/S1063774524602703","url":null,"abstract":"<p>Magnetic nickel nanoparticles, especially anisotropically shaped ones, are increasingly attracting the attention of researchers in the field of biomedicine. In this study, we have synthesized magnetic nickel nanodisks to modify shells of polyelectrolyte capsules for further design of new theranostics agents based on this nanocomposite system. The method of alternating electrodeposition of metals in pores of a polymer track membrane was used to obtain nickel nanoparticles shaped as nanodisks. Nanowires with alternating copper and nickel layers were synthesized, and nickel nanodisks were obtained by selective etching of copper. The nanodisk magnetic properties were investigated by vibrational magnetometry of a nanowire array in a polymer matrix. Isolated disks were studied by methods of dynamic light scattering, electron microscopy, and small-angle X-ray scattering. A possibility of incorporating nickel nanodisks into shells of polyelectrolyte capsules by their adsorption on a polycation layer with subsequent deposition of a polyanion is demonstrated.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 1","pages":"103 - 109"},"PeriodicalIF":0.6,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908672","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of Photonic Curing Mechanisms of Sol‒Gel Zinc Oxide Films for Flexible Electronics 柔性电子用溶胶-凝胶氧化锌薄膜的光子固化机理研究
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2025-05-05 DOI: 10.1134/S1063774524602302
I. A. Pronin, A. S. Komolov, E. F. Lazneva, V. A. Moshnikov, A. A. Karmanov, N. D. Yakushova
{"title":"Investigation of Photonic Curing Mechanisms of Sol‒Gel Zinc Oxide Films for Flexible Electronics","authors":"I. A. Pronin,&nbsp;A. S. Komolov,&nbsp;E. F. Lazneva,&nbsp;V. A. Moshnikov,&nbsp;A. A. Karmanov,&nbsp;N. D. Yakushova","doi":"10.1134/S1063774524602302","DOIUrl":"10.1134/S1063774524602302","url":null,"abstract":"<p>Photoannealing is a technological method that allows replacing the finishing high-temperature treatment of sol‒gel metal oxide films with a combination of soft heating and UV irradiation. It has been established that an increase in temperature during heat treatment of a sol deposited onto a substrate leads to the conversion of zinc acetate into layered basic zinc acetate, which is transformed into hydroxide Zn(OH)<sub>2</sub> and then into amorphous oxide ZnO. It has been shown that, upon heating to 130°C, parallel UV irradiation of films promotes the direct transition of layered basic zinc acetate into oxide due to the effective removal of hydroxyl and acetate groups. When the temperature is increased to 140°C, UV irradiation of the films becomes inexpedient, since both photoannealing and heat treatment lead to identical properties of the investigated materials.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 1","pages":"116 - 121"},"PeriodicalIF":0.6,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908674","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electrically Conductive Nonwoven Materials Produced by Electrospinning of Polyaniline and Commodity Polymers 聚苯胺和商品聚合物静电纺丝制备的导电非织造材料
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2025-05-05 DOI: 10.1134/S1063774524602740
S. N. Malakhov, Yu. N. Malakhova, S. N. Chvalun
{"title":"Electrically Conductive Nonwoven Materials Produced by Electrospinning of Polyaniline and Commodity Polymers","authors":"S. N. Malakhov,&nbsp;Yu. N. Malakhova,&nbsp;S. N. Chvalun","doi":"10.1134/S1063774524602740","DOIUrl":"10.1134/S1063774524602740","url":null,"abstract":"<p>Electrically conductive micro- and nanofibrous nonwoven materials were obtained by electrospinning of solutions of blends of polyaniline and a number of commodity polymers (polyamide-6, polylactic acid, polystyrene, polyethylene oxide). The average fiber diameter is in range of 0.5–6 µm; the addition of polyaniline to the spinning solution leads to a decrease in the fiber diameter. The composition of the obtained materials was confirmed by IR spectroscopy. It was found that during electrospinning the supramolecular structure of polyamide-6 and polylactide change (from α-phase to γ- and amorphous phases, respectively), while polyaniline does not form crystalline structures. It was shown that the specific electrical conductivity of the obtained nonwoven fabrics may reach 10<sup>–3</sup> S/cm, which allows for their application both in tissue engineering and in organic electronics.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 1","pages":"96 - 102"},"PeriodicalIF":0.6,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908725","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dynamics of New Phase Formation in Silicon during Femtosecond Laser Ablation 飞秒激光烧蚀过程中硅新相形成动力学研究
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2025-05-05 DOI: 10.1134/S1063774524602752
E. I. Mareev, D. N. Khmelenin, F. V. Potemkin
{"title":"Dynamics of New Phase Formation in Silicon during Femtosecond Laser Ablation","authors":"E. I. Mareev,&nbsp;D. N. Khmelenin,&nbsp;F. V. Potemkin","doi":"10.1134/S1063774524602752","DOIUrl":"10.1134/S1063774524602752","url":null,"abstract":"<p>Experimental results, obtained through micro-Raman spectroscopy and transmission electron microscopy, along with numerical simulations, demonstrate that under intense (10<sup>13</sup>–10<sup>14</sup> W/cm<sup>2</sup>) femtosecond (∼100 fs) laser impact on the (111)Si surface, new polymorphic phases Si-III and Si-XII are formed both on the surface and in the bulk of the material. These phases are localized in lattice defects and at the periphery of the ablation crater. This localization is attributed to the multistage nature of laser-induced phase transitions in silicon. Specifically, these transitions are initiated by a shock wave, resulting in a cascading transformation process on subnanosecond time scales: Si-I → Si-II → Si-III/Si-XII. The phase transition Si-I → Si-II occurs at the front of the shock wave, whereas at the rear of the shock wave a field of dynamic stresses arises, facilitating the phase transition from Si-II to Si-III/Si-XII. On sub-microsecond time scales, most of the new phases disappear as the material relaxes back to its initial state.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 1","pages":"16 - 23"},"PeriodicalIF":0.6,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908818","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Phase Transitions in Poly(Vinylidene Fluoride)-Based Composite under Mechanical Stresses 机械应力作用下聚偏氟乙烯基复合材料的相变
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2025-05-05 DOI: 10.1134/S1063774524602636
P. A. Vorontsov, V. D. Salnikov, V. V. Savin, S. A. Vorontsov, L. V. Panina, P. A. Ershov, V. V. Rodionova
{"title":"Phase Transitions in Poly(Vinylidene Fluoride)-Based Composite under Mechanical Stresses","authors":"P. A. Vorontsov,&nbsp;V. D. Salnikov,&nbsp;V. V. Savin,&nbsp;S. A. Vorontsov,&nbsp;L. V. Panina,&nbsp;P. A. Ershov,&nbsp;V. V. Rodionova","doi":"10.1134/S1063774524602636","DOIUrl":"10.1134/S1063774524602636","url":null,"abstract":"<p>The phase transition in composites based on polyvinylidene fluoride and cobalt ferrite nanoparticles under uniaxial stretching at 100, 200, and 300% has been investigated. It was found that, when the composite is stretched at 300%, there is a maximum increase in the β-phase fraction: from 1% for the unstretched sample to 91%, while the fraction of the electrically active phase increases from 74 to 92%. It was also established that tensile stretching of the composites leads to an increase in the tensile strength: from 5.7 to 85.0 MPa. This tensile pattern also contributes to the increase in coercivity, which is due to the increase in the interparticle distance in the composite structure. These results emphasize the importance of the mechanical properties and phase changes in ferrite-containing polymer composites for their future applications.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 1","pages":"24 - 30"},"PeriodicalIF":0.6,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908819","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Combinatorial Complexity of the Signature of a Natural Tiling 天然瓷砖特征的组合复杂性
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2025-05-05 DOI: 10.1134/S1063774524602570
D. A. Banaru
{"title":"Combinatorial Complexity of the Signature of a Natural Tiling","authors":"D. A. Banaru","doi":"10.1134/S1063774524602570","DOIUrl":"10.1134/S1063774524602570","url":null,"abstract":"<p>An additive model has been developed for calculating the combinatorial (Shannon-like) complexity of the signature of a natural tiling, which is used to describe the topological properties of micro- and mesoporous materials, in particular, zeolites. To calculate the complexity of this type, a Python program code has been compiled. The code was tested for zeolite-type tilings. Correlations of the calculated complexity of the signature of the tiling and the combinatorial complexity of the structure-generating tiling were found.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 1","pages":"151 - 157"},"PeriodicalIF":0.6,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908676","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Allowance for the Imperfection of the Spectrophotometric Complex Optical Elements When Measuring Transmission Spectra of Gyrotropic Uniaxial Crystals. I: Samples Are Cut Perpendicular to the Optical Axis 在测量陀螺向单轴晶体透射光谱时，考虑到分光光度法复合光学元件的缺陷。I：样品垂直于光轴切割
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2025-05-05 DOI: 10.1134/S106377452460265X
T. G. Golovina, A. F. Konstantinova, E. V. Zabelina, N. S. Kozlova, V. M. Kasimova
{"title":"Allowance for the Imperfection of the Spectrophotometric Complex Optical Elements When Measuring Transmission Spectra of Gyrotropic Uniaxial Crystals. I: Samples Are Cut Perpendicular to the Optical Axis","authors":"T. G. Golovina,&nbsp;A. F. Konstantinova,&nbsp;E. V. Zabelina,&nbsp;N. S. Kozlova,&nbsp;V. M. Kasimova","doi":"10.1134/S106377452460265X","DOIUrl":"10.1134/S106377452460265X","url":null,"abstract":"<p>The effect of the imperfections of the polarizer, analyzer, and photomultiplier tube (PMT) on the results of measuring the spectral transmission dependences of catangasite (Ca<sub>3</sub>TaGa<sub>3</sub>Si<sub>2</sub>O<sub>14</sub>) crystals cut perpendicular to the optical axis has been theoretically and experimentally investigated. There is a difference between the spectra obtained for the <i>p</i> and <i>s</i> polarizations of incident light; jumps are also observed on the curves at λ = 1050 nm. This is due to the imperfection of the PMT and the optical activity of the crystal. The PMT parameters are estimated in dependence of the light wavelength proceeding from experimental data. The influence of the imperfection of the PMT and polarizers on the results of calculating the rotation of the plane of polarization ρ is studied. It is shown that transmission spectra must be measured at angles between the polarizer and analyzer of ±45° in order to to calculate exactly the ρ value. The measurement errors are determined by the set of optical elements in a particular device.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 1","pages":"39 - 49"},"PeriodicalIF":0.6,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Simulation of Sanmartinite ZnWO4 by the Method of Interatomic Potentials 用原子间电位法模拟三马氏体ZnWO4
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2025-05-05 DOI: 10.1134/S1063774524602491
V. B. Dudnikova, E. V. Zharikov, N. N. Eremin
{"title":"Simulation of Sanmartinite ZnWO4 by the Method of Interatomic Potentials","authors":"V. B. Dudnikova,&nbsp;E. V. Zharikov,&nbsp;N. N. Eremin","doi":"10.1134/S1063774524602491","DOIUrl":"10.1134/S1063774524602491","url":null,"abstract":"<p>The structure and properties of sanmartinite ZnWO<sub>4</sub> have been simulated by the method of empirical interatomic potentials. A system of coordinated interatomic potentials has been developed, which makes it possible to describe the structural, elastic, and thermodynamic properties of zinc tungstate and simulate more complex composite media containing this component.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 1","pages":"1 - 7"},"PeriodicalIF":0.6,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908849","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","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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