Doklady Chemistry最新文献

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Discrete Innovation Details of Anthracyclines with Na-Ameghinite Multilayer: Adsorption Models in Polar and Non-Polar Solvents and Molecular Docking Performance Na-Ameghinite多层膜对蒽环类药物的离散创新:极性和非极性溶剂的吸附模型和分子对接性能
IF 1 4区 化学
Doklady Chemistry Pub Date : 2025-11-10 DOI: 10.1134/S0012500825600336
Dehbi Atallah, Tabarek Ali Ojaimi, Ali Abdullah Issa, Majid S. Jabir, Doaa S. El Sayed
{"title":"Discrete Innovation Details of Anthracyclines with Na-Ameghinite Multilayer: Adsorption Models in Polar and Non-Polar Solvents and Molecular Docking Performance","authors":"Dehbi Atallah,&nbsp;Tabarek Ali Ojaimi,&nbsp;Ali Abdullah Issa,&nbsp;Majid S. Jabir,&nbsp;Doaa S. El Sayed","doi":"10.1134/S0012500825600336","DOIUrl":"10.1134/S0012500825600336","url":null,"abstract":"<p>The study explores the discrete innovation details of anthracyclines when adsorbed on Na-ameghinite multilayer materials. Frontier molecular orbitals (FMOs) analysis was performed to estimate the most stable structure adsorbed on the surface of ameghinite material. The study involved dynamic simulation performance to describe the behavior of atomic mobility on the surface with temperature variation and energetic parameters evolved through 1000-ps (1-ns) simulation time. The adsorption behaviors of anthracyclines in both water and acetone molecules were investigated, providing insight into the interaction mechanisms at the molecular level. Through the application of various adsorption models, the study evaluates the impact of solvent polarity on the efficiency and specificity of anthracycline adsorption. Furthermore, molecular docking simulations were employed to elucidate the binding affinities and potential mechanisms of interaction between anthracyclines and human lung cancer protein (ID: 2P85). The findings reveal the strong binding affinity of doxorubicin (–8.4 kcal/mol) that interacts with several amino acids via conventional and carbon-hydrogen <i>bonds.</i></p>","PeriodicalId":530,"journal":{"name":"Doklady Chemistry","volume":"520 1","pages":"12 - 25"},"PeriodicalIF":1.0,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145479726","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 Fire Retardants, Melamine Derivatives, on Thermal Properties of Ethylene Vinyl Acetate 阻燃剂三聚氰胺衍生物对醋酸乙烯酯热性能的影响
IF 1 4区 化学
Doklady Chemistry Pub Date : 2025-11-10 DOI: 10.1134/S0012500825600154
A. A. Galiguzov, N. V. Yashin, V. V. Avdeev
{"title":"Effect of Fire Retardants, Melamine Derivatives, on Thermal Properties of Ethylene Vinyl Acetate","authors":"A. A. Galiguzov,&nbsp;N. V. Yashin,&nbsp;V. V. Avdeev","doi":"10.1134/S0012500825600154","DOIUrl":"10.1134/S0012500825600154","url":null,"abstract":"<p>Ethylene and vinyl acetate copolymers are widely used to produce materials for various purposes. These materials are flammable. To reduce their flammability and combustibility, fire retardants with different mechanisms of action are used. The paper presents a comparative study of the influence of various fire retardants (melamine phosphate, melamine polyphosphate, melamine borate, and melamine cyanurate) on the process of thermal-oxidative decomposition of ethylene vinyl acetate. The effect of these fire retardants on the heat resistance of the polymer material and the processes of destruction of ethylene vinyl acetate at different stages is described. It has been demonstrated that melamine-based fire retardants, as a rule, increase the heat resistance of the polymer material, shift the polymer degradation range toward higher temperatures, and reduce the weight loss. Among the fire retardants used, the best results in increasing the heat resistance of ethylene vinyl acetate have been achieved in the case of melamine polyphosphate. Melamine derivatives, when decomposed, form, together with the products of ethylene vinyl acetate destruction, refractory and highly condensed phases, which affect the process of gas evolution during the decomposition of polymeric materials, and are also responsible for the formation of foam coke with fragments of the polymer matrix, which has a barrier effect.</p>","PeriodicalId":530,"journal":{"name":"Doklady Chemistry","volume":"520 1","pages":"1 - 11"},"PeriodicalIF":1.0,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145479653","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
Study of Dielectric Property of Interpenetrating Polymer Network of Graphene and Poly(α-methyl styrene) 石墨烯-聚α-甲基苯乙烯互穿聚合物网络介电性能研究
IF 1 4区 化学
Doklady Chemistry Pub Date : 2025-11-10 DOI: 10.1134/S0012500824600792
Shikha Mishra, Meet Kamal, R. K. Dwivedi, Himanshu B. Baskey, Mohd. Meraj Jafri, Shireen Shukla
{"title":"Study of Dielectric Property of Interpenetrating Polymer Network of Graphene and Poly(α-methyl styrene)","authors":"Shikha Mishra,&nbsp;Meet Kamal,&nbsp;R. K. Dwivedi,&nbsp;Himanshu B. Baskey,&nbsp;Mohd. Meraj Jafri,&nbsp;Shireen Shukla","doi":"10.1134/S0012500824600792","DOIUrl":"10.1134/S0012500824600792","url":null,"abstract":"<p>A comparative study of the dielectric properties of the interpenetrating polymer network (IPN) of graphene (Gr) and poly(α-methyl styrene) (PAMS) was carried out using complex permittivity and permeability characterization. IPN was prepared under an inert atmosphere of nitrogen with varying molar concentrations. The synthesized polymer network was characterized using Fourier-transform infrared (FTIR) spectroscopy, field emission scanning electron microscopic (FESEM) techniques, conductivity and complex permittivity and permeability characterization. The IPN was analyzed by FTIR spectroscopy, which depicts the presence of Gr at 1156, 1237, 1597, and 3439 cm<sup>–1</sup> and the presence of PAMS at 3056, 1494, 2932, and 696 cm<sup>–1</sup>. These results indicate a proper chemical reaction and interpenetration among Gr and PAMS has occurred. The polymeric interconnected film is seen via the FESEM technique, which reveals heterogeneous and dual phase morphology. The conductivity of the polymeric network was found to be 1.2124 × 10<sup>–6</sup> Ω<sup>–1</sup> m<sup>–1</sup>, revealing the semi-conductive behavior of the IPN. Permittivity data revealed enhanced dielectric property and better storage capacity. Moreover, permeability data shows that IPN possesses a moderate magnetism property too. By controlling factors like graphene concentration, orientation, and interfacial interactions within the polymer matrix, it’s possible to tune the dielectric properties of the composite material. This tunability allows for customizing the material for specific applications, such as energy storage devices. The morphology of an IPN consisting of Gr and PAMS would depend on various factors, including the preparation method, concentration of Gr and the interactions between the polymer and Gr.</p>","PeriodicalId":530,"journal":{"name":"Doklady Chemistry","volume":"520 1","pages":"35 - 44"},"PeriodicalIF":1.0,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145479738","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
Adhesive Interaction between Supramolecularly Organized Systems Doped with Blue Carbon Dots and Hydrophobic or Hydrophilic Surfaces 掺杂蓝碳点的超分子组织体系与疏水或亲水表面之间的粘附相互作用
IF 1 4区 化学
Doklady Chemistry Pub Date : 2025-11-10 DOI: 10.1134/S0012500825600816
A. I. Galeeva, R. I. Khusnutdinova, A. E. Zavorotko, Yu. G. Galyametdinov
{"title":"Adhesive Interaction between Supramolecularly Organized Systems Doped with Blue Carbon Dots and Hydrophobic or Hydrophilic Surfaces","authors":"A. I. Galeeva,&nbsp;R. I. Khusnutdinova,&nbsp;A. E. Zavorotko,&nbsp;Yu. G. Galyametdinov","doi":"10.1134/S0012500825600816","DOIUrl":"10.1134/S0012500825600816","url":null,"abstract":"<p>Ordered self-organized lyotropic liquid crystals (LLCs) are widely used in biomedicine due to their ability to encapsulate chemically diverse biomaterials, i.e., hydrophobic or hydrophilic substrates. The creation of LLC complexes with carbon or quantum dots can yield systems with combined functions. Carbon dots (CDs), which are semiconductor nanomaterials, have unique luminescent properties and can be embedded into lyotropic mesophases (lyomesophases) to create hybrid systems and provide their use in biosensing, medical imaging, and theranostics. Importantly, wettability, adhesive interaction, friction, and permeability are in the main focus among the basic physicochemical surface characteristics of a polymer-based material. The wetting ability of a hybrid system is known to be determined by surface tension, which is very important for its interaction with the environment, e.g., with the surfaces of capillaries, tissues of blood vessel walls, skin, polymer tubes, and surface coatings of medical equipment elements. This paper describes the results of wetting of model hydrophobic and hydrophilic surfaces (glass, nylon, polydimethylsiloxane (PDMS), and polytetrafluoroethylene (PTFE)) with CD-doped gels and lyomesophases. Low-viscosity gels wetted these surfaces better than more viscous liquid crystal phases did, and the adhesion of a hybrid CD-doped sample had the same order of magnitude in contact either with glass or with a membrane for similar oligoethylene oxide-based lyomesophases. The adhesive characteristics of LLCs and gel-like systems prepared in the study may appear useful in the development of drug delivery methods for diagnostic and therapeutic nanosystems with improved functionality.</p>","PeriodicalId":530,"journal":{"name":"Doklady Chemistry","volume":"520 1","pages":"26 - 30"},"PeriodicalIF":1.0,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145479727","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 Dispersion of Calcium Hypophosphite on the Macrokinetics of Its Oxidation 次亚磷酸钙分散对其氧化宏观动力学的影响
IF 0.8 4区 化学
Doklady Chemistry Pub Date : 2025-03-19 DOI: 10.1134/S001250082560004X
A. L. Vereshchagin, E. D. Minin, N. V. Bychin, A. V. Sergienko, E. A. Morozova
{"title":"Effect of Dispersion of Calcium Hypophosphite on the Macrokinetics of Its Oxidation","authors":"A. L. Vereshchagin,&nbsp;E. D. Minin,&nbsp;N. V. Bychin,&nbsp;A. V. Sergienko,&nbsp;E. A. Morozova","doi":"10.1134/S001250082560004X","DOIUrl":"10.1134/S001250082560004X","url":null,"abstract":"<p>The effect of calcium hypophosphite dispersion on the morphology and composition of the products of its oxidation by atmospheric oxygen has been studied by simultaneous thermal analysis (STA), FTIR spectroscopy, and X-ray powder diffraction analysis. It has been found that the factor influencing the heat and mass transfer in the oxidation processes of calcium hypophosphite is the amorphization of the products due to the formation of the glass phase of calcium pyrophosphate Ca<sub>2</sub>P<sub>2</sub>O<sub>7</sub>.</p>","PeriodicalId":530,"journal":{"name":"Doklady Chemistry","volume":"515 1-2","pages":"70 - 76"},"PeriodicalIF":0.8,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143655177","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
Reactions of Acetonyltriphenylphosphonium and 2-Butene-1,4-bis(triphenylphosphonium) Chlorides with Nitric Acid 丙酮基三苯基磷和2-丁烯-1,4-双(三苯基磷)氯化物与硝酸的反应
IF 0.8 4区 化学
Doklady Chemistry Pub Date : 2025-03-19 DOI: 10.1134/S0012500825600063
V. V. Sharutin, D. P. Shevchenko, K. R. Khazhieva
{"title":"Reactions of Acetonyltriphenylphosphonium and 2-Butene-1,4-bis(triphenylphosphonium) Chlorides with Nitric Acid","authors":"V. V. Sharutin,&nbsp;D. P. Shevchenko,&nbsp;K. R. Khazhieva","doi":"10.1134/S0012500825600063","DOIUrl":"10.1134/S0012500825600063","url":null,"abstract":"<p>Alkyltriphenylphosphonium nitrates [Ph<sub>3</sub>PCH<sub>2</sub>С(O)Me]NO<sub>3</sub> (<b>1</b>) and [Ph<sub>3</sub>PCH<sub>2</sub>CH=CHCH<sub>2</sub>PPh<sub>3</sub>][NO<sub>3</sub>]<sub>2</sub> · 2H<sub>2</sub>O (<b>2</b>) have been synthesized by reacting, respectively, acetonyl-triphenylphosphonium and <i>trans</i>-2-butene-1,4-bis(triphenylphosphonium) chlorides with nitric acid. The compounds have been characterized by IR spectroscopy and single-crystal X-ray diffraction. According to XRD data, acetonyltriphenylphosphonium nitrate (<b>1</b>) (C<sub>21</sub>H<sub>20</sub>NO<sub>4</sub>P, FW = 381.35; monoclinic, space group <i>С</i>2/<i>с</i>; <i>a</i> = 14.301(13) Å, <i>b</i> = 12.756(11) Å, <i>c =</i> 21.40(2) Å; α = 90.00°, β = 90.66(3)°, γ = 90.00°, <i>V</i> = 3904(8) Å<sup>3</sup>, <i>Z</i> = 8; ρ<sub>X</sub> = 1.298 g/cm<sup>3</sup>; GOOF = 1.034; <i>R</i> = 0.0631) and <i>trans</i>-2-butene-1,4-bis(triphenylphosphonium) dinitrate dihydrate (<b>2</b>) (C<sub>40</sub>H<sub>40</sub>N<sub>2</sub>O<sub>8</sub>P<sub>2</sub>, FW = 738.68; triclinic, space group <i>P–</i>1; <i>a</i> = 9.259(7) Å, <i>b</i> = 9.514(6) Å, <i>c =</i> 12.247(9) Å; α = 68.43(4)°, β = 72.47(5)°, γ = 84.06(3)°, <i>V</i> = 956.7(12) Å<sup>3</sup>, <i>Z</i> = 1; ρ<sub>X</sub> = 1.282 g/cm<sup>3</sup>; GOOF = 1.029; <i>R</i> = 0.0493) have ionic structure and consists of organyltriphenylphosphonium cations with a somewhat distorted tetrahedral coordination of the phosphorus atom (the CPC angle vary within 104.99(11)°−112.25(12)° for <b>1</b> and 107.61(11)°−111.28(11)° for <b>2</b>; the P–C distances are 1.792(3)–1.802(3) Å and 1.792(2)–1.815(2) Å, respectively) and planar trigonal nitrate anions (the sums of the ONO angles are 359.5° and 360°, respectively). Complete tables of atomic coordinates and bond lengths and angles of nitrates <b>1</b> and <b>2</b> have been deposited with the Cambridge Crystallographic Data Centre (CCDC 2155176 (<b>1</b>), 2335887 (<b>2</b>); deposit@ccdc.cam.ac.uk; http://www.ccdc.cam.ac.uk).</p>","PeriodicalId":530,"journal":{"name":"Doklady Chemistry","volume":"516 1-2","pages":"111 - 115"},"PeriodicalIF":0.8,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143655309","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
In Silico Treatment for Prediction of New Effective Pesticides Based on Acetylcholinesterase Inhibition 基于乙酰胆碱酯酶抑制的硅处理预测新型有效农药
IF 0.8 4区 化学
Doklady Chemistry Pub Date : 2025-03-19 DOI: 10.1134/S0012500825600038
Rabah Ali Khalil, Al-Hakam A. Zarari
{"title":"In Silico Treatment for Prediction of New Effective Pesticides Based on Acetylcholinesterase Inhibition","authors":"Rabah Ali Khalil,&nbsp;Al-Hakam A. Zarari","doi":"10.1134/S0012500825600038","DOIUrl":"10.1134/S0012500825600038","url":null,"abstract":"<p>The presented paper introduces in silico treatment for 34 commercially available pesticides in order to predict new compounds that may act as pesticides based on acetylcholinesterase inhibition. Theoretical treatments using density functional theory, (DFT) and quantitative structure–activity relationship, (QSAR) suggested two statistically significant models for the median lethal dose of Mus musculus, (MLD50) and Homo sapiens, (HLD50). The MLD50 model consisted of only two descriptors including the number of hydrogen bond donor (NHBD) and ovality (OVA) in addition to the correction term (ZOM) with the value of 0.905 for both square correlation coefficient (<i>r</i><sup>2</sup>) and cross-validation (<i>q</i><sup>2</sup>). The model of HLD50 was only depending on three descriptors including NHBD, OVA, and Wiener index (WI) in addition to ZOM with <i>r</i><sup>2</sup> and <i>q</i><sup>2</sup> equal to 0.853 and 0.777. The proposed equations showed a physical meaning which could help in understanding the factors affecting the action of pesticides. A special and unique feature was introduced in this study by exploiting both developed models of MLD50 and HLD50 in predicting new more effective pesticides with less toxicity to humans. This new approach was established by the correlation between those models which in turn seven new specific compounds that might be usable as new pesticides were introduced<i>.</i></p>","PeriodicalId":530,"journal":{"name":"Doklady Chemistry","volume":"518 1-2","pages":"154 - 165"},"PeriodicalIF":0.8,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143655241","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
Multifractal Analysis of Disperse Polymetallic Systems 分散多金属体系的多重分形分析
IF 0.8 4区 化学
Doklady Chemistry Pub Date : 2025-03-19 DOI: 10.1134/S0012500825600105
M. E. Kolpakov, A. F. Dresvyannikov, E. A. Ermolaeva
{"title":"Multifractal Analysis of Disperse Polymetallic Systems","authors":"M. E. Kolpakov,&nbsp;A. F. Dresvyannikov,&nbsp;E. A. Ermolaeva","doi":"10.1134/S0012500825600105","DOIUrl":"10.1134/S0012500825600105","url":null,"abstract":"<p>Multifractal analysis is one of the tools for studying complex systems with a self-similar structure, e.g., disperse polymetallic systems. This paper studied the application of multifractal analysis to describe and evaluate the characteristics of disperse polymetallic systems (Fe–Al–Co, Fe–Al–Cr, Fe–Al–Mo) obtained by galvanic substitution. The study resulted in the identification of important aspects, such as the distribution of fractal dimensions, which allows for a deeper understanding of the mechanisms of formation and development of structures in polymetallic systems. The presented results can be useful for the development of new materials and technologies, as well as for improving existing methods of analysis and quality control of polymetallic systems. It was shown that the spectrum of generalized fractal dimensions of Fe–Al–Co is similar to the spectrum of the Sierpinski dodecahedron—an <i>S</i>-shaped descending curve. The calculated generalized fractal dimension is 1.662, which indicates a lower complexity of the structure of the Fe–Al–Co sample compared to the model Sierpinski dodecahedron. A micrograph of a particle of a synthesized dispersed sample of the Fe–Al–Cr system shows an agglomerated structure of micron sizes, which, in turn, is formed from interconnected spherical formations with a size of 50–200 nm. The spectrum of generalized fractal dimensions of Fe–Al–Cr also represents an <i>S</i>-shaped ascending curve. The generalized fractal dimension in this case is 1.881, which is higher than that of the sample of the disperse Fe–Al–Co system. The results obtained showed that the multifractal spectrum and the distribution of fractal dimensions can serve as tools for analyzing the mechanisms of formation and evolution of the structure of polymetallic systems. This opens new opportunities for the development of innovative materials with specified properties and the improvement of existing technologies and quality control of materials<i>.</i></p>","PeriodicalId":530,"journal":{"name":"Doklady Chemistry","volume":"517 1-2","pages":"131 - 136"},"PeriodicalIF":0.8,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143655373","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
Crystal Structures of Alkyl(triphenyl)phosphonium 2,4-Dinitrobenzenesulphonates [PH3PAlk][X], X = OSO2C6H3(NO2)2-2,4; Alk = cyclo-C3H5, (CH2)2OH, CH2OH, CH2С(O)Me 烷基(三苯基)鏻 2,4-二硝基苯磺酸盐 [PH3PAlk][X] 的晶体结构,X = OSO2C6H3(NO2)2-2,4; Alk = 环-C3H5, (CH2)2OH, CH2OH, CH2С(O)Me
IF 0.8 4区 化学
Doklady Chemistry Pub Date : 2025-03-19 DOI: 10.1134/S0012500825600099
V. V. Sharutin, E. S. Mekhanoshina
{"title":"Crystal Structures of Alkyl(triphenyl)phosphonium 2,4-Dinitrobenzenesulphonates [PH3PAlk][X], X = OSO2C6H3(NO2)2-2,4; Alk = cyclo-C3H5, (CH2)2OH, CH2OH, CH2С(O)Me","authors":"V. V. Sharutin,&nbsp;E. S. Mekhanoshina","doi":"10.1134/S0012500825600099","DOIUrl":"10.1134/S0012500825600099","url":null,"abstract":"<p>Reactions of alkyltriphenylphosphonium bromides with 2,4-dinitrobenzenesulfonic acid in water lead to the formation of ionic alkyltriphenylphosphonium 2,4-dinitrobenzenesulfonates [Ph<sub>3</sub>PAlk][OSO<sub>2</sub>C<sub>6</sub>H<sub>3</sub>(NO<sub>2</sub>)<sub>2</sub>-2,4] (Alk = cyclo-C<sub>3</sub>H<sub>5</sub> (<b>1</b>)<i>,</i> (CH<sub>2</sub>)<sub>2</sub>OH (<b>2</b>), CH<sub>2</sub>OH (<b>3</b>), and CH<sub>2</sub>С(O)Me (<b>4</b>). Crystals of <b>1</b> (C<sub>27</sub>H<sub>23</sub>N<sub>2</sub>O<sub>7</sub>PS, FW 550.50; monoclinic system, space group <i>P</i>-1; unit cell parameters: <i>a</i> = 9.354(11) Å, <i>b</i> = 9.764(10) Å, <i>c</i> = 15.416(17) Å; α = 106.29(4)°, β = 94.67(5)°, γ = 97.98)6)°, <i>V</i> = 1328(3) Å<sup>3</sup>, <i>Z</i> = 2; ρ<sub>X</sub> = 1.377 g/cm<sup>3</sup>), <b>2</b> (C<sub>26</sub>H<sub>23</sub>N<sub>2</sub>O<sub>8</sub>PS, FW 554.49; monoclinic system, space group <i>P</i>2<sub>1</sub>/<i>c</i>; unit cell parameters: <i>a</i> = 13.049(7) Å, <i>b</i> = 14.816(10) Å, <i>c</i> = 13.261(7) Å; α = 90.00°, β = 93.901(15)°, γ = 90.00°, <i>V</i> = 2558(2) Å<sup>3</sup>, <i>Z</i> = 4; ρ<sub>X</sub> = 1.440 g/cm<sup>3</sup>), <b>3</b> (C<sub>25</sub>H<sub>21</sub>N<sub>2</sub>O<sub>8</sub>PS, <i>M</i> 540.47; triclinic system, space group <i>P</i>-1; unit cell parameters: <i>a</i> = 9.086(14) Å, <i>b</i> = 10.95(2) Å, <i>c</i> = 13.17(2) Å; α = 86.20(9)°, β = 71.93(6)°, γ = 89.51(11)°, <i>V</i> = 1243(4) Å<sup>3</sup>, <i>Z</i> = 2; ρ<sub>X</sub> = 1.444 g/cm<sup>3</sup>), and <b>4</b> (C<sub>27</sub>H<sub>23</sub>N<sub>2</sub>O<sub>8</sub>PS, FW 566.50; triclinic system, space group <i>P</i>-1; unit cell parameters: <i>a</i> = 9.746(10) Å, <i>b</i> = 11.371(11) Å, <i>c</i> = 13.657(10) Å; α = 66.78(3)°, β = 86.30(3)°, γ = 74.46(5)°, <i>V</i> = 1339(2) Å<sup>3</sup>, <i>Z</i> = 2; ρ<sub>X</sub> = 1.405 g/cm<sup>3</sup>). According to X-ray diffraction data, the phosphorus atoms in cations <b>1</b>–<b>4</b> have a distorted tetrahedral coordination, while the sulfonate anions have a normal geometry with a tetrahedral sulfur atom. The P–C bond lengths vary in the range 1.768(3)−1.830(3) Å; the CPC bond angles are within 105.54(9)°−112.42(9)°. In the arenesulfonate anions of the complexes, the S–C distances are close to each other (1.794(2)–1.807(3) Å), and the S–O bond lengths are similar (1.363(4)–1.495(4) Å). The structural organization in complexes <b>1</b>–<b>4</b> is mainly due to weak intermolecular contacts of the O···H type 2.31–2.71 Å (<b>1</b>), 2.35–2.64 Å (<b>2</b>), 2.38–2.70 Å (<b>3</b>), and 2.24–2.90 Å (<b>4</b>).</p>","PeriodicalId":530,"journal":{"name":"Doklady Chemistry","volume":"517 1-2","pages":"137 - 143"},"PeriodicalIF":0.8,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143655374","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 Chlorinated Epoxy Resin Content on Thermophysical and Mechanical Properties of Intumescent Fire-Retardant Coatings Based on Them 氯化环氧树脂含量对膨胀型防火涂料热物理力学性能的影响
IF 0.8 4区 化学
Doklady Chemistry Pub Date : 2025-03-19 DOI: 10.1134/S0012500825600087
V. A. Kukushkin, V. E. Subbotin, A. Yu. Shchepetova, N. V. Yashin, V. V. Avdeev
{"title":"Effect of Chlorinated Epoxy Resin Content on Thermophysical and Mechanical Properties of Intumescent Fire-Retardant Coatings Based on Them","authors":"V. A. Kukushkin,&nbsp;V. E. Subbotin,&nbsp;A. Yu. Shchepetova,&nbsp;N. V. Yashin,&nbsp;V. V. Avdeev","doi":"10.1134/S0012500825600087","DOIUrl":"10.1134/S0012500825600087","url":null,"abstract":"<p>An effective method of fire protection of metal structures is coating with intumescent fire-retardant materials, among which two-component systems based on epoxy binders are widely used. A notable disadvantage of such systems is their flammability, which can cause a decrease in the fire protection efficiency of coating. One of the methods for reducing flammability is the introduction of fire-retardant functional groups into the polymer structure, in particular, halogen-containing fragments, which can affect the nature of thermal destruction of the material and increase its fire-retardant efficiency. The paper investigates the relationship between the chlorine content in the binder, which is a mixture of chlorine-containing epoxy resin and halogen-free resin in various ratios, and material properties such as flammability, fire-retardant efficiency, adhesion to a steel substrate, and thermal expansion degree, as well as the nature of decomposition under heat treatment.</p>","PeriodicalId":530,"journal":{"name":"Doklady Chemistry","volume":"518 1-2","pages":"145 - 153"},"PeriodicalIF":0.8,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143655242","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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