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Bulletin of the Karaganda University. "Chemistry" series最新文献

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Optimization of coal tar gas chromatography conditions using probabilistic-deterministic design of experiment 用概率确定性实验设计优化煤焦油气相色谱条件
Pub Date : 2021-12-30 DOI: 10.31489/2021ch4/39-46
V. Fomin, A.A. Aynabaev, D. Kaykenov, D. Sadyrbekov, S. Aldabergenova, M.A. Turovets, N. Kelesbek
The development of physicochemical methods for the analysis of objects of complex composition requires the application of methods of mathematical experiment design. This article investigates the possibility of using probabilistic-deterministic design of experiment (PDDoE) for obtaining a mathematical model of the chromatographic separation process of coal tar hydrogenation products on an Agilent 7890A device with an Rxi-5ms column. It is shown that the relationship between the column heating rate and the carrier gas pressure with the values averaged for the entire chromatogram can be established with a high accuracy. It is noted that the accuracy of modeling the individual characteristics of the mixture components’ peaks is less, but remains sufficient for many practical needs. Nonlinear multiple correlation coefficients (NMC) for the dependence of the average retention time and average intensity on the considered factors are more than 0.99; they are more than 0.98 for the average peak width. NMC for the dependence of the resolution with the relation to the peaks of naphthalene and 2-ethylphenol is more than 0.8 at a significant level that sufficient for practice. The quality of the mathematical model was checked by triple registration of the chromatogram at the values of the column heating rate and carrier gas pressure that were not used in the training experiment. The measurement results are excellent squared with those calculated using the obtained generalized equations. The PDDoE method can be recommended as a method for mathematical design of an optimization experiment in gas chromatography.
物理化学方法在分析复杂成分物体方面的发展,要求应用数学实验设计方法。本文研究了用概率确定性实验设计(PDDoE)在Agilent 7890A装置上建立煤焦油加氢产物色谱分离过程数学模型的可能性,色谱柱为Rxi-5ms。结果表明,色谱柱升温速率与载气压力之间的关系与整个色谱图的平均值具有较高的准确性。值得注意的是,混合组分峰的单个特性建模精度较低,但仍然足以满足许多实际需要。平均滞留时间和平均强度与各因素的非线性多重相关系数(NMC)均大于0.99;它们的平均峰宽大于0.98。萘峰和2-乙基酚峰与分辨率的关系的NMC大于0.8,具有足够的实际意义。数学模型的质量通过色谱在柱加热速率和载气压力值的三重配准来检查,这些值在训练实验中没有使用。测量结果与利用所得到的广义方程计算结果的平方很好。PDDoE方法可作为气相色谱优化实验的数学设计方法。
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引用次数: 0
Synthesis of a hydrophilic derivative of ecdysterone and development of its water-soluble form 蜕皮酮亲水性衍生物的合成及其水溶性形态的研究
Pub Date : 2021-12-30 DOI: 10.31489/2021ch4/138-148
A. Kozhanova, B. S. Temirgaziyev, A. Zhanarbek, B. Tuleuov, T. Seilkhanov, S. Adekenov
The article presents materials on the isolation of ecdysterone substance from medicinal plant raw materials Silene wolgensis (Hornem.) Bess. ex. Spreng (Volga smolyovka). For the first time, the optimization of the method for ecdysterone substance obtaining from the aboveground part of the superconcentrator of phytoecdysteroids of the Silene wolgensis was carried out and based on it a pilot industrial regulation for the isolation of ecdysterone and an encapsulated water-soluble form were developed. It was found, that the interaction of the substrate molecule and the clathrate forms a substance that can dissolve in water and other more polar solvents, thereby solving the problem of bioavailability of the main hydrophobic drug. The method developed for producing the substance ecdysterone and its water-soluble encapsulated with β-cyclodextrin form was implemented into production at the Karaganda pharmaceutical plant. NMR studies of changes in the chemical shifts of protons of substrates and receptors illustrated that ecdysterone interacts with β-cyclodextrin to form supramolecular inclusion complexes with stoichiometric composition of 1:1
本文介绍了从药用植物原料硅酮中分离蜕皮酮物质的研究进展。贝斯。例:春天(伏尔加河)。首次对从硅酮体外甾体超浓缩物地上部分提取蜕皮酮物质的方法进行了优化,并在此基础上建立了脱皮酮的工业分离中试工艺和包封水溶形式。研究发现,底物分子与包合物相互作用形成一种能溶于水和其他极性更强的溶剂的物质,从而解决了主要疏水药物的生物利用度问题。所建立的以β-环糊精形式包封的蜕皮酮及其水溶性物质的生产方法已在卡拉干达制药厂投入生产。对底物和受体质子化学位移变化的核磁共振研究表明,蜕皮酮与β-环糊精相互作用形成化学计量组成为1:1的超分子包合物
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引用次数: 0
Synthesis, quantum-chemical calculations and virtual screening of the alkaloid cytisine derivatives 生物碱胞氨酸衍生物的合成、量子化学计算及虚拟筛选
Pub Date : 2021-12-30 DOI: 10.31489/2021ch4/21-29
Z. Nurmaganbetov, G.K. Mukusheva, Ye.V. Minayeva, D. M. Turdybekov, K. M. Turdybekov, A. Makhmutova, A.R. Zhasymbekova, O. Nurkenov
The synthesis of some cytisine derivatives was carried out in the work. The article provides the data of quantum-chemical calculation and virtual screening of the alkaloid cytisine derivatives synthesized. At the same time, the reaction centers of the cytisine derivatives molecules were determined. In order to study the reactivity of the derivatives obtained (namely cinnamoylcytisine, lipoylcytisine, and cytisinylisoalantholactone) the quantum-chemical calculations were conducted to determine the energy and charge characteristics of the molecules. The results indicate a sufficient thermodynamic stability of the cinnamoylcytisine and lipoylcytisine molecules. The cytisinylisoalantholactone molecule is not stable according to the results of quantum chemical calculations. The data on the energy values of the frontier molecular orbitals show that, in general, all molecules exhibit electrophilic properties. A bioprediction was implemented using PASS (Prediction of Activity Spectra for Substances) as one of the most efficient and well-known computer program with the aim of detailed study and the probable establishment of the biological activity of the synthesized cytisine derivatives. Based on the results of virtual screening, promising types of alkaloid cytisine derivatives were identified, which are potential sources of original drugs
本研究进行了一些胞氨酸衍生物的合成。本文提供了合成的生物碱胞氨酸衍生物的量子化学计算和虚拟筛选数据。同时测定了胞氨酸衍生物分子的反应中心。为了研究得到的衍生物(即肉桂酰基胱氨酸、脂酰基胱氨酸和胱氨酸酰基异丙酸内酯)的反应性,我们进行了量子化学计算,以确定分子的能量和电荷特征。结果表明,肉桂酰基胱氨酸和脂酰基胱氨酸分子具有足够的热力学稳定性。根据量子化学计算结果,胞苷基异丙酸内酯分子是不稳定的。前沿分子轨道能量值的数据表明,一般来说,所有分子都表现出亲电性。利用最有效和最知名的计算机程序之一PASS(预测物质活性谱)进行生物预测,目的是对合成的胱氨酸衍生物的生物活性进行详细的研究和可能的确定。在虚拟筛选的基础上,鉴定出具有发展前景的生物碱胞氨酸衍生物,这些生物碱衍生物是原研药物的潜在来源
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引用次数: 0
Optimization of the preparation method of a mechanically strong carbon electrode 机械强碳电极制备方法的优化
Pub Date : 2021-12-30 DOI: 10.31489/2021ch4/95-103
S. Abdimomyn, D. Abduakhytova, A. Atchabarova, G. Turdean, R. Tokpayev, K. Kishibayev, A. Kurbatov, M. Nauryzbayev
Nowadays, a strategy for the utilization of secondary resources to obtain valuable components is actual. It will lead to the most rational use of natural resources and environmental protection. Electrochemical methods are perfectly applicable to solve this problem. Electrochemical methods allow concentrating of the target components without preliminary preparation of the raw material. Carbon materials (CM) based on plant and carbon-mineral raw materials are an excellent option as a matrix for obtaining the electrodes, due to their availability, low cost, high specific surface area, and the presence of different functional groups. The lack of theoretical substantiation of the adsorption phenomena on carbon electrodes served as an incentive for the study and development of a method for obtaining a mechanically strong electrode based on modified carbon and polyethylene. The design and mechanical strength of carbon electrodes (CE) are of great importance for the efficiency of purification and extraction of valuable components. In this article, we obtained carbon mate- rial from walnut shells by hydrothermal carbonization with further steam-gas activation (the specific surface area is 754.0 m2/g). The structural, physicochemical characteristics of the carbon material, binder, and carrier material were studied by the following methods: scanning electron microscope (SEM), Brunauer–Emmett–Teller (BET), thermogravimetric analysis and differential scanning calorymetry (TGA-DSC). The method of hot-pressing is applied for obtaining the carbon electrodes. Using the method of full-factor experiment and steepest ascent, the values of pressure and temperature during pressing and the ratio of carbon material: binder was optimized: P = 226 atm; T = 90.8 °C; carbon material: binder ratio = 67.5:32.5 %, respectively
目前,利用二次资源获取有价值成分的策略已经成为现实。这将导致自然资源的最合理利用和环境保护。电化学方法完全适用于解决这一问题。电化学方法允许浓缩目标组分,而无需预先制备原料。基于植物和碳矿物原料的碳材料(CM)由于其可用性、低成本、高比表面积和不同官能团的存在,是获得电极的一个很好的选择。碳电极上的吸附现象缺乏理论依据,这激励了研究和开发一种基于改性碳和聚乙烯的机械强电极的方法。碳电极的设计和机械强度对有价成分的净化和提取效率具有重要意义。以核桃壳为原料,经水热炭化,再经蒸汽-气体活化,得到比表面积为754.0 m2/g的碳材料。采用扫描电镜(SEM)、布鲁诺尔-埃米特-泰勒(BET)、热重分析和差示扫描量热分析(TGA-DSC)等方法对碳材料、粘结剂和载体材料的结构、物理化学特性进行了研究。采用热压法制备碳电极。采用全因素试验和最陡爬坡法,优化了压制压力、温度及炭料与粘结剂的配比:P = 226 atm;T = 90.8℃;碳材料:粘结剂比分别为67.5:32.5%
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引用次数: 0
Recovery of used acetic acid via sulfuric acid 硫酸法回收用过的乙酸
Pub Date : 2021-12-30 DOI: 10.31489/2021ch4/149-162
Y. Raiymbekov, U. Besterekov, P. Abdurazova, U. Nazarbek, I. Pochitalkina
Kazakhstan has a huge phosphate raw material base, where the basis is made up of micro-grained phosphate ores of the Karatau basin. The depletion of reserves of high-quality commercial ores leads to the search for new methods of using the enrichment and sorting of low-grade technogenic ores, one of which is phosphate-siliceous slates. The presented study was carried out in two stages: at the first stage, phosphate-siliceous shales were enriched by the acetic acid method, regime technological parameters, kinetic and thermodynamic regularities of the process were determined. At the second stage of the research a method for recycling used acetic acid during the enrichment of low-grade phosphate-siliceous slates is proposed. In this case, sulfuric acid was chosen as the regenerating agent of acetic acid. The reliability of the performed studies was proved by the use of modern complex research methods: scanning electron microscopy, Energy Dispersive X-Ray and X-Ray difraction analyses. To determine the course of a particular reaction, a thermodynamic analysis was performed using modern HSC 6.0 software. The kinetic data are determined by calculation. The obtained experimental data were subjected to statistical analysis (Chaddock scale, standard deviation, coefficient of determination). The mechanism of interaction of an acetate solution with sulfuric acid is illustratively described. In conclusion, the sulfuric acid method is suitable for the regeneration of applied acetic acid. In this case, a by-product is formed in the form of calcium sulfate. This product can be used as a building binder (confirmed by the protocol of the “National Center of Expertise” of the Republic of Kazakhstan).
哈萨克斯坦拥有巨大的磷酸盐原料基地,其基础是由卡拉托盆地的微颗粒磷矿组成。优质商业矿石储量的枯竭促使人们寻找新的方法来富集和分选低品位的工业矿石,其中一种是磷硅质板岩。本研究分两个阶段进行:第一阶段采用醋酸法富集磷硅质页岩,确定了该过程的工艺参数、动力学和热力学规律;在研究的第二阶段,提出了低品位磷硅板岩富集过程中废旧乙酸的回收方法。在这种情况下,选择硫酸作为醋酸的再生剂。通过使用现代复杂的研究方法:扫描电子显微镜、能量色散x射线和x射线衍射分析,证明了所进行研究的可靠性。为了确定特定反应的过程,使用现代HSC 6.0软件进行了热力学分析。动力学数据由计算确定。对所得实验数据进行统计分析(Chaddock标度、标准差、决定系数)。介绍了醋酸溶液与硫酸相互作用的机理。综上所述,硫酸法适用于外用乙酸的再生。在这种情况下,副产品以硫酸钙的形式形成。本产品可用作建筑粘合剂(经哈萨克斯坦共和国“国家技术中心”协议确认)。
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引用次数: 0
Production of electrolytic copper from Zhezkazgan Processing Plant tailings leaching solutions using a hydro-impulse discharge 浙江卡兹干选矿厂生产电解铜尾矿浸出液采用水力脉冲排放
Pub Date : 2021-12-30 DOI: 10.31489/2021ch4/128-137
Ye.S. Mustafin, K. Omarov, A. Borsynbaev, D. Havlichek, A. Pudov, N.V. Shuyev
In this work, for the first time, studies of the mineralogical composition and chemical semi-quantitative spectral analysis (SQSA) of the Zhezkazgan processing plant tailings before and after leaching were carried out. It was found that copper is present in the tailings in the form of the chalcosine and bornite minerals. After leaching with the use of ammonium bifluoride and a hydro-pulse discharge, chalcosine and boronite are destroyed, and copper passes into a solution containing phosphoric acid. As a result of multiple placing of tailings into the solution, the copper content in it is brought to a concentration at which copper deposition on a stainless steel plate is possible. The identification of copper was implemented on a LAES-Matrix grain spectrometer. A visual comparative analysis of the changes in the structure of the treated ore waste was carried out using a TESCAN MIRA scanning electron microscope. Metallic copper was obtained from solution by electrochemical reactions in an experimental laboratory setup as a result. The technology was developed on an experimental laboratory setup for the extraction of metallic copper and brought the choice of the solution medium and electrochemical processes to the stage of obtaining the target metal with a purity of 99.99 %
本文首次对浙浙卡干选矿厂尾矿浸出前后的矿物学组成和化学半定量光谱分析(SQSA)进行了研究。结果表明,铜在尾矿中以硫铜矿物和硼铁矿物的形式存在。在使用氟化二铵和水脉冲放电浸出后,硫胺和硼铁矿被破坏,铜进入含有磷酸的溶液中。由于多次将尾矿放入溶液中,其中的铜含量达到可以在不锈钢板上沉积铜的浓度。采用LAES-Matrix颗粒谱仪对铜进行了鉴定。使用TESCAN MIRA扫描电子显微镜对处理后的矿石废物结构变化进行了视觉比较分析。在实验装置中,通过电化学反应从溶液中得到金属铜。该技术是在金属铜的萃取实验装置上开发的,从溶液介质的选择和电化学过程的选择到获得纯度为99.99%的目标金属的阶段
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引用次数: 0
Synthesis and characterization of a new magnetic composite MnFe2O4/clay based on a natural clay obtained from Turkestan deposit 基于土耳其斯坦天然粘土的磁性复合材料MnFe2O4/粘土的合成与表征
Pub Date : 2021-12-30 DOI: 10.31489/2021ch4/87-94
Zh.A. Baimuratova, M. Kalmakhanova, B. Massalimova, A. Nurlibaeva, A.S. Kulazhanova, J. L. Diaz de Tuesta, H. Gomes
The work is devoted to the development of a new method for the synthesis of magnetic composites based on manganese ferrite on a natural clay, coupling with their physico-chemical characterization. In the study, a natural clay of Kazakhstan obtained from the Turkestan deposit was used for the preparation of magnetic composites. The formation of materials with magnetic properties is an urgent task of our time, due to the needs of various applications of magnetically controlled materials for biomedical systems, electronic devices, catalytic and adsorption processes. The advantage of such materials is the ability to control them using a magnetic field for shaking, recovery, induction heating, among others. In this work, samples were prepared by co-precipitation of manganese and iron salts with 5 mol L-1 NaOH over the Turkestan clay (TC). Materials were characterized by various analyses, such as Fourier-Transform infrared spectroscopy (FTIR), X-ray diffractometric analysis (XRD), and elemental analysis. According to the results of physical and chemical studies of the XRD and thermal analysis, kaolinite is the main mineral in the composition of TC. Magnetic adsorbents MnFe2O4/clay with perfect magnetic separation characteristics were successfully obtained by chemical co-precipitation
本工作致力于开发一种在天然粘土上合成基于铁氧体锰磁性复合材料的新方法,并结合其物理化学特性。在研究中,从土耳其斯坦矿床获得的哈萨克斯坦天然粘土用于制备磁性复合材料。由于磁控材料在生物医学系统、电子器件、催化和吸附过程中的各种应用需要,形成具有磁性质的材料是我们这个时代的一项紧迫任务。这种材料的优点是能够使用磁场控制它们进行震动、回收、感应加热等。在这项工作中,锰和铁盐与5 mol L-1 NaOH在Turkestan粘土(TC)上共沉淀制备样品。通过傅里叶变换红外光谱(FTIR)、x射线衍射分析(XRD)和元素分析等方法对材料进行了表征。根据XRD和热分析的理化研究结果,高岭石是TC组成中的主要矿物。采用化学共沉淀法成功制备了具有良好磁选性能的磁性吸附剂MnFe2O4/粘土
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引用次数: 0
Abnormal activity of functional groups during uranyl ions sorption by polymethacrylic acid-poly-4-vinylpyridine intergel system 聚甲基丙烯酸-聚4-乙烯基吡啶凝胶体系吸附铀酰离子过程中官能团的异常活性
Pub Date : 2021-12-30 DOI: 10.31489/2021ch4/47-56
T. Jumadilov, A. Utesheva, Khuangul Khimersen, R. Kondaurov, J. Grazulevicius
Uranyl ions sorption by intergel system consisting of polymethacrylic acid hydrogel (hPMAA) and poly-4-vinylpyridine hydrogel (hP4VP) has been studied. First, reciprocal activation of PMAA and P4VP polymeric hydrogels in water environment was examined in order to predict intergel system sorption activity. Based on the obtained results, it was found that area of maximum hydrogel activation was within the ratios of 100 % hPMAA and 67 % hPMAA:33 % hP4VP. The maximum rate of uranyl ions extraction was also observed within these ratios. The highest uranyl ions sorption by intergel system occurred at 83 %hPMAA:17 % hP4VP ratio. Maximum uranyl ions extraction rate after 56 hours of hydrogels remote interaction was 82.5 %, when polymeric chain binding rate was 9.94 % and effective dynamic exchange capacity was 1.12 mmol/g. Significant increase of intergel system sorption activity within the ratios of 100 % hPMAA and 67 % hPMAA:33 % hP4VP in comparison with initial inactivated hydrogels 100 % hPMAA and 100 % hP4VP was confirmed by combined calculation data of extraction rates of inactivated PMAA and P4VP polymeric hydrogels. The obtained results illustrated changes of initial polymeric hydrogels’ electrochemical sorption properties in intergel system leading to functional groups obtaining higher reactive ability, which made it possible to use them for further development of highly efficient uranyl ions extraction sorption technology
研究了由聚甲基丙烯酸水凝胶(hPMAA)和聚4-乙烯基吡啶水凝胶(hP4VP)组成的凝胶间体系对铀酰离子的吸附。首先,研究了PMAA和P4VP聚合物水凝胶在水环境中的相互活化,以预测凝胶间系统的吸附活性。根据所得结果,发现最大水凝胶活化面积在100% hPMAA和67% hPMAA: 33% hP4VP的比例范围内。在此比例下,铀酰离子的最大萃取率也被观察到。当hPMAA比为83%:hP4VP比为17%时,凝胶体系对铀酰离子的吸附性最高。当聚合物链结合率为9.94%,有效动态交换容量为1.12 mmol/g时,水凝胶远程作用56 h后铀酰离子的最大萃取率为82.5%。在100% hPMAA和67% hPMAA: 33% hP4VP的比例下,凝胶间系统的吸附活性较初始灭活的100% hPMAA和100% hP4VP的水凝胶有显著提高。研究结果表明,凝胶体系中初始聚合物水凝胶的电化学吸附性能发生了变化,导致官能团获得了更高的反应能力,这为进一步开发高效的铀酰离子萃取吸附技术提供了可能
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引用次数: 0
Invariants of ratio of crystal-mobile, liquid-mobile, and vaporized chaotized particles in solid, liquid, and gas states of substance 物质在固体、液体和气体状态下的晶体流动、液体流动和汽化混沌粒子的比例不变量
Pub Date : 2021-12-30 DOI: 10.31489/2021ch4/69-78
V. P. Malyshev, A. Makasheva, L. Bekbayeva
The authors of the article have developed the concept of chaotic particles based on the Boltzmann distribution over the kinetic energy of the particles’ chaotic motion. This distribution allows to combine the solid, liquid, and gaseous states of matter with the help of energetic particles called crystal-mobile, liquid-mobile, and vapor-mobile. The ratio of the proportions of such randomized particles determines a certain state of matter aggregation. The sum of the shares of these particles in all combinations at any temperature is equal to unity. During the study it has identified that qualitative and quantitative analysis of states with a priority basic effect of a randomized component of a substance can be conducted. Certain regularities of states were discovered, independent of the specific type of substance and consistent with the physicochemical properties. The entropy of mixing of all three energy classes of chaotic particles was calculated for simple substances. It was characterized by a maximum in the interval of the boiling point of substances. This feature testifies to the unique variety of possibilities for the implementation of the most complex heterogeneous processes in terrestrial conditions at atmospheric pressure, which ultimately ensured the self-organization of life
本文作者基于粒子混沌运动动能的玻尔兹曼分布,提出了混沌粒子的概念。这种分布使得物质的固体、液体和气体状态在被称为晶体流动、液体流动和蒸汽流动的高能粒子的帮助下结合起来。这些随机粒子的比例决定了物质聚集的某种状态。在任何温度下,这些粒子在所有组合中的份额之和等于1。在研究过程中,确定了可以对物质的随机成分具有优先基本效应的状态进行定性和定量分析。发现了某些状态的规律,这些规律与物质的特定类型无关,与物理化学性质一致。计算了简单物质中混沌粒子三种能量混合的熵。它的特点是在物质的沸点区间有一个最大值。这一特征证明了在大气压力下,在陆地条件下实施最复杂的异质过程的独特可能性,这最终确保了生命的自组织
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引用次数: 0
A.S. Masalimov as the founder and leader of a new direction in ESR spectroscopy and quantum chemistry of free radicals Masalimov是ESR光谱和自由基量子化学新方向的创始人和领导者
Pub Date : 2021-12-30 DOI: 10.31489/2021ch4/5-8
S. Nikolskiy, I. Pustolaikina
The article highlights the creative path of A.S. Masalimov, an outstanding Kazakhstan chemist who celebrates his 70th anniversary in 2022. The main stages of his career and significant events of his scientific career are presented here. The contribution of professor A.S. Masalimov in the foundation and development of the school of ESR spectroscopy and quantum chemistry at the Karaganda Buketov University is shown.
这篇文章重点介绍了哈萨克斯坦杰出化学家A.S.马萨利莫夫的创新之路,他将在2022年迎来70周年诞辰。这里介绍了他职业生涯的主要阶段和他科学生涯中的重大事件。马萨里莫夫教授在卡拉干达布克托夫大学ESR光谱学和量子化学学院的建立和发展中的贡献。
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引用次数: 0
期刊
Bulletin of the Karaganda University. "Chemistry" series
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