Russian Journal of Inorganic Chemistry最新文献

{"title":"Microstructural Evolution of Silver Nanowires When Forming by the Polyol Method","authors":"N. P. Simonenko, T. L. Simonenko, Ph. Yu. Gorobtsov, P. V. Arsenov, I. A. Volkov, E. P. Simonenko","doi":"10.1134/s0036023624601685","DOIUrl":"https://doi.org/10.1134/s0036023624601685","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>The microstructure evolution of silver nanowires during their formation by the polyol method at 170°C has been studied. UV-Vis spectrophotometry shows significant changes in the shape of the absorption band associated with the surface plasmon resonance of the resulting silver nanostructures. The X-ray powder diffraction analysis data indicate that all the obtained nanostructures have face-centered cubic lattice of silver. The effect of heat treatment duration on the <i>I</i>(111)/<i>I</i>(200) ratio was studied. The use of scanning electron microscopy has revealed the influence of synthesis conditions on the microstructural features of the particles formed. In particular, after 45 min from the beginning of polyol synthesis a material characterized by an increased concentration of longer nanowires (up to 25 μm in length) is formed, and in individual cases one-dimensional structures up to 70 μm in length are found. The nanowires obtained are characterized by a remarkably short diameter (35–40 nm). The time when the process of silver nanowires destruction is intensified and the concentration of micro-rods and zero-dimensional particles increases has also been determined. It is assumed that individual nanowires in the course of heat treatment of the reaction system are connected by side faces, which leads to their recrystallization resulting in the appearance of one-dimensional structures with a larger diameter and their subsequent degradation because of emerging defects.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142201217","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Low-Temperature Synthesis of Highly Dispersed Calcium Aluminate","authors":"L. O. Kozlova, I. L. Voroshilov, Yu. V. Ioni, A. G. Son, A. S. Popova, I. V. Kozerozhets","doi":"10.1134/s0036023624601077","DOIUrl":"https://doi.org/10.1134/s0036023624601077","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>A new approach to prepare highly dispersed calcium aluminate at temperatures from 900°C with desired properties (bulk density starting from 0.015 g/cm³, particle size falling in the range of 7–42 nm) is described, which consists of step-by-step heat treatment of a concentrated aqueous solution of Al(NO₃)₃, Ca(NO₃)₂, and C₆H₈O₇ in the molar ratio CaO : Al₂O₃ = 1 : 2. The main stages of the synthesis are studied by X-ray powder diffraction, IR spectroscopy, as well as scanning and transmission electron microscopies. The highly dispersed calcium aluminate obtained using the developed approach has pronounced luminescent properties.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142201213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"GeTe–Bi2Te3–Te System","authors":"E. N. Orujlu, T. M. Alakbarova, M. B. Babanly","doi":"10.1134/s003602362460151x","DOIUrl":"https://doi.org/10.1134/s003602362460151x","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Alloys of the GeTe–Bi₂Te₃–Te system synthesized by a special technique in a state as close to equilibrium as possible, have been characterized by differential thermal analysis (DTA), powder X-ray diffraction (XRD), and scanning electron microscopy (SEM). An equilibrium solid phase diagram, the liquidus surface projection, selected polythermal sections, and the 300-K isothermal section of the phase diagram have been constructed. The primary crystallization fields of phases, types and coordinates of invariant and monovariant equilibria have been determined. Monovariant equilibria on curves originating from the peritectic points and eutectic point of the GeTe–Bi₂Te₃ boundary system undergo transformations at certain transition points. A cascade of invariant transition reactions has been identified near the tellurium corner of the concentration triangle, characterizing the joint crystallization of two-phase mixtures of telluride phases and elemental tellurium.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142201214","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Analysis of Chemical and Phase Transformations during the Synthesis of Glass Ceramics Based on Bismuth Barium Borate Glass and Er:YAG","authors":"A. D. Plekhovich, A. M. Kut’in, K. V. Balueva, E. E. Rostokina, M. E. Komshina, K. F. Shumovskaya","doi":"10.1134/s0036023624601399","DOIUrl":"https://doi.org/10.1134/s0036023624601399","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>An original combination of thermal activation with exposure to a strong nonuniform electric field transforms a multicomponent solution to a precursor. The transformation of an aerosol into a finished mixture eliminates the stages of gel formation, long-term gel drying, and subsequent contaminating milling, while providing the molecular level of components mixing inherent in the sol–gel method. The phase, chemical, and other thermal manifestations in the bismuth barium borate part (0.2Bi₂O₃–0.6B₂O₃–0.2BaO) of the batch, the (Er_0.5Y_0.5)AG components batch, and the batch precursor, which initially combined all necessary components of glass ceramics, were studied by simultaneous thermal analysis (STA). The Gibbs energy minimization was used to determine the formation conditions of garnet and yttrium borate crystalline phases, identified by X-ray powder diffraction (XRD) in glass ceramic samples formed from ultrafine batches at various temperatures.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142225835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Gold Extraction from Oxide Ore using Copper Ethylenediamine Thiosulfate","authors":"Xinyue Xiang, Guohua Ye, Siqin Zhu, Yiyang Rong, Pengzhi Xiang","doi":"10.1134/s0036023624601314","DOIUrl":"https://doi.org/10.1134/s0036023624601314","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Thiosulfate leaching is considered a green gold extraction approach and a gold mine in Laos was subjected to such treatment in this study. A single factor test was undertaken to determine the optimal leaching conditions, leading to the following parameters: thiosulfate concentration of 0.2 mol L^–1; copper ion concentration of 0.005 mol L^–1; ethylenediamine concentration of 0.01 mol L^–1; pH value of 10; leaching time of 4 h; stirring speed of 200 rpm. After leaching, the remaining ion concentrations were relatively low, positively affecting gold recovery. To further enhance the leaching rate, the impact of cetyltriethylammonium bromide (CTAB) on the leaching rate of gold was investigated, revealing that the addition of CTAB can increase gold’s leaching rate while reducing thiosulfate consumption. In conclusion, a comparison was made between thiosulfate and cyanide leaching, where copper-ethylenediamine-thiosulfate leaching exhibited a shorter duration compared to cyanidation, establishing its potential as a more environmentally sustainable approach.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142201249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Terpinen-4-ol–B12N12 and Linalool–B12N12 Compounds as a Natural Replacement of Nitrites and Nitrates in Meat Products: a DFT, QTAIM, and Molecular Docking Study","authors":"M. J. Saadh, P. Sharma, A. Kumar, A. D. Suleman, M. S. Mahdi, K. R. Al-Shami, A. H. Idan, A. Elawady, R. Zainul","doi":"10.1134/s0036023624601211","DOIUrl":"https://doi.org/10.1134/s0036023624601211","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Nitrites and nitrates are commonly used in meat products to extend shelf life, stabilize color, and inhibit microbial growth. However, they can react with amines and amides, forming carcinogenic compounds. Essential oils are being considered as a natural replacement, but their use in the food industry is limited due to instability, volatility, and water insolubility factors. One solution is to encapsulate or interact the oils with other molecules. In this research, we examined the effective role of B₁₂N₁₂ in interacting with terpinen-4-ol and linalool oils as a stabilizer and nanocarrier for their potential application in the food industry, utilizing density functional calculations (DFT) in both gas and water phases. The adsorption energy values and thermodynamic parameters indicated that the oils adsorb onto the B₁₂N₁₂ cage through a chemisorption process. This process is exothermic and involves the formation of a partial covalent bond (B–O) between the cage and the oils. These findings suggest that the B₁₂N₁₂ cage effectively stabilizes and carries the oils. The vibrational frequency and quantum molecular descriptors (QMDs) calculations suggested that the terpinen-4-ol–B₁₂N₁₂ and linalool–B₁₂N₁₂ complexes are stable. Additionally, the solvation energy values, along with notable alterations in the polarity of the complexes, indicated the potential of the B₁₂N₁₂ cage as an effective solubilizer for the oils in water. The analysis using atoms in molecules (AIM) indicated that the interaction between the oils and the cage involves a partial covalent bond. Additionally, molecular electrostatic potential (MEP), Mulliken population analysis (MPA), and UV-Vis spectra for the compounds were computed. The antimicrobial effectiveness of terpinen-4-ol, linalool, terpinen-4-ol–B₁₂N₁₂, and linalool–B₁₂N₁₂ compounds against <i>Escherichia coli</i> (PDB ID: 4WUB) and <i>v</i> (PDB ID: 3VSL) bacteria was investigated using molecular docking techniques. The calculations indicated that terpinen-4-ol and linalool oils demonstrate higher binding affinities in comparison to terpinen-4-ol–B₁₂N₁₂ and linalool–B₁₂N₁₂ compounds when interacting with the 4WUB and 3VSL receptors. The results suggest that terpinen-4-ol and linalool oils, when combined with B₁₂N₁₂, have the potential to serve as natural substitutes for nitrites and nitrates in meat products.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142201244","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solubility in the MgSO4–NaCl–H2O System and Its Polythermal Diagram","authors":"U. D. Rakhmatzhanov, R. Ch. Yorbobaev, Kh. Ch. Mirzakulov","doi":"10.1134/s0036023624600473","DOIUrl":"https://doi.org/10.1134/s0036023624600473","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>The MgSO₄–NaCl–H₂O system was studied in the temperature range from –25 to 42°С by the visual polythermal method of solubility. A polythermal diagram of the solubility of this system was constructed on the basis of the solubility polytherms of binary systems and internal sections. On the phase diagram of the MgSO₄–NaCl–H₂O system the crystallization fields of ice, MgSO₄∙H₂O, MgSO₄∙6H₂O, MgSO₄∙7H₂O, MgSO₄∙12H₂O, NaCl∙H₂O, and compound of the composition MgCl₂ were delimited. The study results show that the MgSO₄–NaCl–H₂O system belongs to the complex eutonic type.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142201247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"DFT Study of Structural, Elastic, Electronic, and Thermodynamic Properties of Compounds Cs2TiCl6 and Cs2TiBr6","authors":"R. Ksouri, R. Maizi, A.-G. Boudjahem, N. Cheghib, I. Djaghout, M. Derdare","doi":"10.1134/s0036023624601223","DOIUrl":"https://doi.org/10.1134/s0036023624601223","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>We investigate the electronic, structural, elastic, and thermodynamic properties of Cs₂TiX₆ (X = Cl and Br) using DFT calculations. The generalized gradient approximation in the Perdew–Burke–Ernzerhof (PBE) form is used in this work to investigate the properties of the above compounds. The calculated lattice parameters of these compounds are in good agreement with the experimental data. The elastic constants obtained confirm the mechanical stability of Cs₂TiX₆ compounds. The calculated Pugh’s and Poisson’s ratios revealed that the Cs₂TiCl₆ and Cs₂TiBr₆ compounds are brittle materials. The band gaps of Cs₂TiCl₆ and Cs₂TiBr₆ compounds are, respectively, 2.27 and 1.45 eV. The thermodynamic properties of these compounds have also been investigated, and the thermodynamic parameters such as heat capacity (<i>C</i>_<i>V</i>) and the thermal expansion (α) were calculated. The obtained values of <i>C</i>_<i>V</i> were found to be 125 and 224 J mol^–1 K^–1 for Cs₂TiCl₆ and Cs₂TiBr₆, respectively. Debye temperatures for the studied compounds were also computed and discussed.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142201246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effectiveness of B12N12 Nanocage as a Stabilizer and Delivery Carrier for Thymol and Carvacrol Essential Oils and their Influence on Escherichia coli and Staphylococcus aureus Bacteria: A Comprehensive Analysis using DFT, QTAIM, Multiwfn, and Molecular Docking","authors":"A. Mahal, A. M. Almaamuri, S. S. Noori, S. Chandra, A. Elawady, A. J. Obaidullah, M. H. Shuhata Alubiady, S. H. Zain Al-Abdeen, R. Zainul","doi":"10.1134/s0036023624601235","DOIUrl":"https://doi.org/10.1134/s0036023624601235","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Bacteria have developed a tolerance due to the overuse of antibiotics. Even though thyme essential oils have antibacterial properties, their utilization is restricted because of their instability. To overcome these limitations, one strategy is to interact the oils with other molecules. This research delved into the effective role of B₁₂N₁₂ in attaching thymol and carvacrol oils as a nanocarrier in drug delivery using density functional calculations (DFT) in both gas and solvent phases. Thymol and carvacrol oils have been found to interact with B₁₂N₁₂ through oxygen atoms, resulting in adsorption energies (<i>E</i>_ad) of –12.49 and –12.39 kcal/mol on the nanocage, respectively. The adsorption and solvation energy values, along with notable alterations in the polarity of the complexes, indicated the potential of the B₁₂N₁₂ nanocage as an effective delivery carrier for the oils. The analysis of the quantum theory of atoms in molecules (QTAIM), the electron localization function (ELF), localized orbital locator (LOL), and density of states (DOS) showed that the nature of the interaction between the oils and the nanocage is non-covalent, which is beneficial for the release of the oils in drug delivery. The quantum molecular descriptors (QMDs) and the vibrational frequency calculations indicated that the complexes are stable. Moreover, Mulliken population analysis (MPA), molecular electrostatic potential (MEP), UV-Vis spectra, and thermodynamic parameters for the molecules were calculated. In silico molecular docking, 4WUB and 3VSL receptors were used to investigate thymol, carvacrol, thymol/B₁₂N₁₂, and carvacrol/B₁₂N₁₂ compounds inhibitor properties. The molecular docking analysis showed that the thymol/B₁₂N₁₂ and carvacrol/B₁₂N₁₂ compounds have the free negative binding energy values and low Ki (inhibition constant) values. This suggests that these compounds are more suitable for interacting with the 4WUB and 3VSL receptor targets compared to the Thymol and Carvacrol oils.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142201243","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Novel Multichromic Cd(II) Coordination Polymer Based on a Viologen Ligand Exhibiting Multichroism, Aniline Detection and Luminescence Properties","authors":"Ran Tao, Xiuyan Wang, Xin Wang, Zirui Huang, Shanshan Jin, Hongqiang Wang","doi":"10.1134/s0036023624601119","DOIUrl":"https://doi.org/10.1134/s0036023624601119","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>As a powerful strategy to precisely fabricate multifunctional materials with unique optoelectronic properties, donor-acceptor (D–A) alignment, which integrates D–A pairs into the modular and versatile crystalline cation metal–organic frameworks (CMOFs) and cation coordination polymers (CCPs) is applied at the molecular level. In this paper, a photo- and thermochromic CCP, named [Cd (PTA)_0.5(bcbpy)_0.5Br] (<b>1</b>), was successfully produced by the self-assembly of a photo- and thermoactive 1,1'-bis((3-carboxylatobenzyl)-4,4'-bipyridinium)-dibromo ligand (H₂bcbpy·2Br) with cadmium chloride and terephthalic acid (PTA). This complex is characterized by single-crystal X-ray diffraction, powder X-ray diffraction and it exhibits high sensitivity to both heat and different illuminant. The exceptional difunctional characteristics of electron-transfer (ET) thermochromism and photochromism in <b>1</b> are mostly influenced by the photosensitivity and thermal sensitivity of H₂bcbpy·2Br. Otherwise, during the coloration-decoloration phase, there is a photoluminescence “on/off switch” which would direct the synthesis of new crystals.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142201245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}