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Theoretical Foundations, Models, and Calculations of the Compositions of Particulate-Filled Polymers with Different Types of Structures and Properties 具有不同类型结构和性质的微粒填充聚合物组成的理论基础、模型和计算
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090342
I. D. Simonov-Emelyanov, K. I. Kharlamova

For the first time, the theoretical foundations for building the structure of particulate-filled polymer composite materials (PFPCMs) are presented from the standpoint of joint examination of Shklovsky-de Gennes model ideas concerning the formation of the structure of dispersed fillers in space and, proposed by us, a generalized model, including the creation of free space, its filling with a polymer matrix (binder) and its functional division into three components: φp = θ + B + M (θ is the proportion of the polymer phase-matrix for the formation of an interlayer between the filler particles; B is the proportion of the polymer phase-matrix at the maximum packaging of the dispersed phase; M is the proportion of the polymer phase-matrices in boundary layers). Correlation dependences between the parameters of heterogeneity in space (lattice parameters: Z and kpac) and the generalized parameter θ were established, all PNPCMs were classified according to the structural principle [structure type: DS—diluted, LFS—low-filled, MFS—medium-filled (MFS-1 and MFS-2) and HFS—highly filled dispersed systems]. Generalized (θ, V, M) and reduced parameters (θ/V and θ/Sn) are proposed to describe the structure of the PFPCMs. Experimental methods have been developed for determining the main parameter of a dispersed filler for constructing PFPCMs structures—the maximum packing (kpac) and the maximum content of dispersed fillers (parameter φm) of different sizes. It is shown that the construction of all possible types of structures and compositions of PFPCMs should begin with HFS at the content of dispersed filler equal to φm (fixed starting point), similar to the construction of the stepped CHICHEN ITZA PYRAMID with the apex—HFS, the base—a polymer matrix (PM) and with steps—different types of structures (MFS-2, MFS-1, LFS and DS). The dependences of the physicochemical, rheological, physicomechanical, electrophysical, thermophysical characteristics of PFPCMs on the generalized and reduced parameters, as well as on the lattice parameters Z and kpac of the dispersed filler are established, and it is shown that the type of structure and its parameters determine the properties of PFPCMs. The obtained dependencies for the first time made it possible to compare the characteristics of PFPCMs with the same types of structures, and not at a constant value of the content of the dispersed phase (φf = const), which is not correct. This concept is the basis for the creation of high-tech, high-strength, heat-conductive and heat-insulating, as well as electrically conductive, etc. PFPCMs. New theoretical provisions can be extended to the construction of structures of composite materials based on metal and ceramic matrices.

本文首次从共同研究什克洛夫斯基-德-热纳(Shklovsky-de Gennes)模型中关于空间分散填料结构形成的观点,以及我们提出的一个广义模型(包括自由空间的形成、聚合物基体(粘结剂)对其的填充以及将其功能划分为三个部分)的角度,阐述了微粒填充聚合物复合材料(PFPCMs)结构构建的理论基础:φp = θ + B + M(θ 是填料颗粒之间形成夹层时聚合物相基质的比例;B 是分散相最大包装时聚合物相基质的比例;M 是边界层中聚合物相基质的比例)。建立了空间异质性参数(晶格参数:Z 和 kpac)与广义参数 θ 之间的相关性,并根据结构原理对所有 PNPCM 进行了分类[结构类型:DS-稀释型、LFS-稀释型、DS-稀释型、LFS-稀释型]:DS-稀释、LFS-低填充、MFS-中填充(MFS-1 和 MFS-2)和 HFS-高填充分散系统]。提出了通用参数(θ、V、M)和简化参数(θ/V 和 θ/Sn)来描述全氟丙烯基多孔材料的结构。已开发出实验方法,用于确定用于构建全氟碳化膜单晶体结构的分散填料的主要参数--最大堆积(kpac)和不同尺寸分散填料的最大含量(参数φm)。研究表明,所有可能类型的全氟碳化膜单体结构和组成的构建都应从分散填料含量等于 φm 的 HFS 开始(固定起点),这类似于阶梯式 CHICHEN ITZA PYRAMID 的构建,顶点为 HFS,基底为聚合物基质 (PM),阶梯为不同类型的结构(MFS-2、MFS-1、LFS 和 DS)。研究确定了 PFPCM 的物理化学、流变学、物理机械、电物理和热物理特性与广义参数、简化参数以及分散填料的晶格参数 Z 和 kpac 的关系,并表明结构类型及其参数决定了 PFPCM 的特性。根据所获得的相关性,我们首次可以比较具有相同结构类型的全氟碳化膜单体的特性,而不是在分散相含量为恒定值(φf = const)的情况下进行比较,这是不正确的。这一概念是制造高科技、高强度、导热、隔热、导电等全氟丙烯基多孔材料的基础。全氟碳化物单体。新的理论规定可扩展到基于金属和陶瓷基质的复合材料结构的构建。
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引用次数: 0
Graphene Oxide: Unveiling Its Chemistry and Its Emerging Applications (A Review) 氧化石墨烯:揭开石墨烯化学及其新兴应用的神秘面纱(综述)
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090202
M. L. Anantha Lekshmi, A. J. Prakash, R. J. Jerlin, K. R. Dinesh

This review summarizes the intricate structural features and characterisation of graphene oxide (GO), as well as its many derivatives and wide-ranging uses. GO exhibits adaptability across a range of applications, including environmental remediation and biological purposes. The use of this material extends to both the fabrication of freestanding membranes and their incorporation into other composite systems. Gaining an in-depth understanding of the structure and features of GO is vital for effectively using its promise in many fields. Scientists constantly discover new uses and improve the techniques of creating it to boost its capabilities. GO, in environmental environments, facilitates and removing of pollutants as well as water purification. The biocompatibility and drug delivery characteristics of this substance are advantageous in the fields of medicine and biology. Furthermore, membranes based on graphene oxide are useful in filtering technologies. Systems that combine graphene oxide have improved mechanical, electrical, and thermal characteristics, which hold great potential for breakthroughs in the field of materials research. Overall, the complex and versatile character of GO highlights its significance in several disciplines and emphasises its reputation as a material with great promise.

本综述概述了氧化石墨烯(GO)的复杂结构特征和特性,以及它的多种衍生物和广泛用途。氧化石墨烯具有广泛的应用适应性,包括环境修复和生物用途。这种材料既可用于制造独立薄膜,也可将其纳入其他复合系统。深入了解 GO 的结构和特性对于在许多领域有效利用它的前景至关重要。科学家们不断发现新的用途,并改进制造技术,以提高其性能。在环境中,GO 有助于去除污染物和净化水。这种物质的生物相容性和给药特性在医学和生物学领域具有优势。此外,基于氧化石墨烯的膜在过滤技术中也很有用。结合氧化石墨烯的系统具有更好的机械、电气和热特性,在材料研究领域具有巨大的突破潜力。总之,氧化石墨烯的复杂性和多功能性凸显了它在多个学科中的重要作用,并彰显了它作为一种前景广阔的材料的声誉。
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引用次数: 0
Regularities of Obtaining Electrochromic WO3 Films at the Cathode Polarization of the Electrode 在电极阴极极化处获得电致变色 WO3 薄膜的规律性
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090329
A. V. Shchegolkov, A. V. Shchegolkov, M. S. Lipkin, F. F. Komarov, I. D. Parfimovich

In the article, electrochromic WO3 films were obtained from 25, 100, and 200 mM peroxytungstic acid (PTA) solution. A chronoamperogram of the cathodic reduction of tungsten oxide (WO3) through the stages of formation of a precursor film adsorbed on the surface of the ITO electrode and its subsequent staged reduction to WO3 and side formation of soluble reaction products is presented. The material yield of the WO3 film on ITO glass was within 50%, which is due to the parallel occurrence of side processes associated with hydrogen evolution and the reduction of tungsten complexes that were in the precipitation solution (WO3 reduction scheme). In this case, it was taken into account that thin WO3 films were the final product. The features of the synthesis of peroxytungstic acid have been studied. It has been shown that the reaction of W dissolution in 37% H2O2 proceeds exothermically. In this case, the reaction temperature reached 96°C within a few seconds, and its decline varied exponentially with the formation of reaction products. The dependence of the limiting current on the square root is obtained. The presented graphic dependence is characterized by linearity, while the beginning of the straight line does not coincide with the origin. The process of intercalation-deintercalation of protons (H+) (cathode-anode branches of CV) was a consequence of structural and reversible changes as a result of H+ intercalation. WO3 films obtained by electrochemical (cathodic) deposition can be recommended as an electrode material for electrochromic devices (cathode) and as a material for electrochemical sensors. Another promising direction is the development of a wide band gap anode based on WO3 for photovoltaic devices, which are energy efficient hydrogen generation systems.

文章从 25、100 和 200 mM 过氧化钨酸 (PTA) 溶液中获得了电致变色 WO3 薄膜。文章展示了氧化钨(WO3)阴极还原的时序图,其中包括吸附在 ITO 电极表面的前驱体薄膜的形成阶段,以及随后还原成 WO3 的阶段和可溶性反应产物的形成阶段。ITO 玻璃上 WO3 薄膜的材料产率在 50%以内,这是由于与氢进化和还原沉淀溶液中的钨络合物(WO3 还原方案)相关的副反应过程同时发生。在这种情况下,考虑到 WO3 薄膜是最终产品。对过氧钨酸的合成特点进行了研究。研究表明,W 在 37% H2O2 中的溶解反应是放热进行的。在这种情况下,反应温度在几秒钟内就达到了 96°C,其下降幅度随着反应产物的形成呈指数变化。极限电流取决于平方根。所呈现的图形依赖性具有线性特征,而直线的起点与原点并不重合。质子 (H+) 的插层-插层过程(CV 的阴极-阳极分支)是 H+ 插层导致的结构和可逆变化的结果。通过电化学(阴极)沉积获得的 WO3 薄膜可作为电致变色装置(阴极)的电极材料和电化学传感器的材料。另一个有前途的方向是开发基于 WO3 的宽带隙阳极,用于光电设备,这是一种高效节能的制氢系统。
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引用次数: 0
Anticancer Activity of Azo Compounds (Mini-Review) 偶氮化合物的抗癌活性(微型综述)
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090019
N. O. Sonin, D. M. Egorov

This mini-review summarizes the latest advances in the study of the anticancer activity of azo compounds. The data shows the high potential of this class of compounds, which allows us to determine the existing vectors of development in this area, and evaluate the effectiveness of the modifications of azo compounds. The review covers the period from 2006 to 2022.

这篇微型综述总结了偶氮化合物抗癌活性研究的最新进展。这些数据显示了这一类化合物的巨大潜力,使我们能够确定这一领域现有的发展载体,并评估偶氮化合物改性的有效性。回顾期为 2006 年至 2022 年。
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引用次数: 0
Cu/NHC Complexes with 4-Sulfanyl- and 4-Sulfonylimidazole in Carboxylation Reactions Cu/NHC 与 4-硫酰基和 4-磺酰基咪唑在羧化反应中的配合物
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090020
D. V. Pasyukov, M. A. Shevchenko, A. Yu. Malakhov

The metalation of 1,3-diaryl-4-(arylsulfanyl)imidazolium and 1,3-diaryl-4-(arylsulfonyl)imidazolium chlorides with copper(I) oxide has been studied. The resulting Cu/NHC complexes have been studied as catalysts for the carboxylation of phenylacetylene, benzoxazole, and benzothiazole. The main patterns of this reaction behavior and the dependence of the catalysis efficiency on the NHC structure were revealed.

研究了 1,3-二芳基-4-(芳基磺酰基)咪唑鎓和 1,3-二芳基-4-(芳基磺酰基)咪唑鎓氯化物与氧化铜(I)的金属化反应。研究人员将由此得到的 Cu/NHC 复合物作为催化剂,用于苯乙炔、苯并恶唑和苯并噻唑的羧化反应。研究揭示了该反应行为的主要模式以及催化效率对 NHC 结构的依赖性。
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引用次数: 0
CuO-Catalyzed Synthesis, Characterization, and Computational Studies of Ethyl 2-Cyano-3-(1H-indol-3-yl)-3-phenylpropanoate Derivatives CuO 催化的 2-氰基-3-(1H-吲哚-3-基)-3-苯基丙酸乙酯衍生物的合成、表征和计算研究
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090135
A. K. Mishra, R. Das, G. Serdaroğlu, J. Pandit, P. Mishra, A. K. Bahe, N. Shukla

A one-pot multicomponent method employing substituted indole, ethyl cyanoacetate and aromatic aldehyde was found as an effective catalytic procedure for the synthesis of a novel indole derivatives. The potential of CuO nanoparticles as nanocatalysts for the Knoevenagel condensation and the synthesis of new indole derivatives was investigated. X-Ray diffraction was used to measure the size of the CuO nanoparticles. CuO nanoparticles can be recycled and used again after the reaction course. The ADMET analysis and drug-likeness results indicated that indole derivatives satisfied Lipinski’s principles and drug-likeness requirements. The reactivity indices and potential areas obtained from the FMO experiments were successfully used to a range of molecular systems because they yield valuable information. Here, we determined the oxobutanoate derivative’s critical areas and likely reactivity directions. The resultant indole derivatives were subjected to various analytical techniques, including mass spectroscopy, 1H and 13C NMR spectroscopy, FT-IR and mass spectrometry.

研究发现一种采用取代吲哚、氰乙酸乙酯和芳香醛的单锅多组分方法是合成新型吲哚衍生物的有效催化程序。研究了 CuO 纳米粒子作为纳米催化剂在 Knoevenagel 缩合和合成新型吲哚衍生物方面的潜力。X 射线衍射被用来测量 CuO 纳米粒子的尺寸。反应过程结束后,CuO 纳米颗粒可回收再利用。ADMET 分析和药物亲和性结果表明,吲哚衍生物符合 Lipinski 原理和药物亲和性要求。从 FMO 实验中获得的反应性指数和潜在面积因其产生的宝贵信息而被成功地应用于一系列分子体系。在这里,我们确定了氧丁酸衍生物的临界区和可能的反应性方向。我们对得到的吲哚衍生物进行了各种分析,包括质谱、1H 和 13C NMR 光谱、傅立叶变换红外光谱和质谱分析。
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引用次数: 0
Erratum to: Biosynthesis of Titanium Oxide Nanoparticles Using Carchorus hirsutus Extract and Their Biomedical Applications 勘误:利用长毛辣根提取物生物合成纳米氧化钛及其生物医学应用
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090408
S. Raju, Ch. Vinuthna, G. Hima Bindu, A. Venugopal,  Reshma, T. V. Kumar, H. Shaik, K. Venkatesan
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引用次数: 0
Development and Validation of a Dispersive Liquid–Liquid Microextraction Method for Metoclopramide Analysis in Pharmaceuticals and Biological Samples 开发并验证用于分析药物和生物样品中甲氧氯普胺的分散液-液微萃取方法
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090287
K. I. Alzand, H. R. Younis, B. Qasim, J. N. Jeber

A rapid and sensitive dispersive liquid–liquid microextraction (DLLME) method coupled with UV-Vis spectrophotometry has been developed and validated for the determination of metoclopramide in pharmaceutical and biological samples. The method is based on the formation of an ion-pair complex between metoclopramide and cobalt(II) thiocyanate under acidic conditions (pH = 3), followed by DLLME to efficiently preconcentrate the chromogenic complex. In the novel DLLME procedure, methylene chloride was used as the extraction solvent and acetonitrile acted as the dispersive solvent, generating a cloudy heterogeneous mixture upon injection into the aqueous sample. This facilitated extensive interfacial contact and partitioning of the metoclopramide-cobalt complex into the fine dispersed methylene chloride droplets within minutes. After centrifugation, the sedimented organic phase was analyzed at the maximum wavelength of 625 nm. Under optimal conditions, the method permitted quantification of metoclopramide from 0.25–45 µg/mL with high enrichment factors, and LOD of 0.078 µg/mL, LOQ of 0.258 µg/mL and high extraction recoveries in the range of 94–101% were obtained. The proposed DLLME-spectrophotometric methodology provides a simple, rapid and sensitive approach for routine therapeutic monitoring and quality control of metoclopramide in real samples.

本研究开发了一种快速灵敏的分散液-液微萃取(DLLME)方法,并结合紫外-可见分光光度法对该方法进行了验证,用于测定药物和生物样品中的甲氧氯普胺。该方法基于甲氧氯普胺和硫氰酸钴(II)在酸性条件(pH = 3)下形成离子对复合物,然后通过 DLLME 有效地预浓缩发色复合物。在新颖的 DLLME 程序中,二氯甲烷用作萃取溶剂,乙腈作为分散溶剂,注入水性样品后生成混浊的异质混合物。这就促进了界面的广泛接触,使甲氧氯普胺-钴复合物在数分钟内分配到细小分散的二氯甲烷液滴中。离心后,在 625 纳米的最大波长下对沉淀的有机相进行分析。在最佳条件下,该方法可对 0.25-45 µg/mL 的甲氧氯普胺进行高富集因子定量,LOD 为 0.078 µg/mL,LOQ 为 0.258 µg/mL,萃取回收率在 94-101% 之间。所提出的 DLLME 分光光度法为实际样品中甲氧氯普胺的常规治疗监测和质量控制提供了一种简单、快速和灵敏的方法。
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引用次数: 0
Erratum to: Preparation and Characterization of Pyridin-2-amine Functionalized Thiadiazole-Embedded Polymer Inclusion Membrane and Utilization of Its Heavy Metal Transport Efficiency 勘误:吡啶-2-胺功能化噻二唑包合聚合物包合膜的制备与表征及其重金属迁移效率的利用
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S107036322409041X
M. Cicek, S. Cay, M. S. Engin, N. Şener, A. E. O. Aldwib, S. Kalkan, M. Gür
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引用次数: 0
Synthesis of New Unsymmetrical Cage Phosphonates Based on 4-Aryl-2-hydroxy-5,7,8-trimethylbenzo[e][1,2]oxaphosphinine-2-oxides 基于 4-芳基-2-羟基-5,7,8-三甲基苯并[e][1,2]氧膦-2-氧化物的新型不对称笼状膦酸盐的合成
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S107036322409007X
A. V. Zalaltdinova, Yu. M. Sadykova, A. S. Gazizov, A. K. Smailov, А. R. Burilov

A new phosphaneoflavonoid was obtained by the reaction oxaphosphinine with β-resorcylic acid. A method was proposed for the synthesis of new unsymmetrical cage phosphonates based on 4-aryl-2-hydroxy-5,7,8-trimethylbenzo[e][1,2]oxaphosphinine-2-oxides as a result of intramolecular heterocyclization. Composition and structure of all the obtained compounds were confirmed by 1H, 13С and 31P NMR, IR spectroscopy and mass spectrometry data.

通过氧化膦与 β-resorcylic酸的反应获得了一种新的膦黄酮类化合物。以 4-芳基-2-羟基-5,7,8-三甲基苯并[e][1,2]氧化膦-2-氧化物为基础,通过分子内杂环合成新的不对称笼状膦酸盐。通过 1H、13С 和 31P NMR、IR 光谱和质谱数据证实了所有获得化合物的组成和结构。
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引用次数: 0
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Russian Journal of General Chemistry
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