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Synthesis and Antimicrobial Activities of Salicylaldehyde Schiff Base-Cu(II) Complex and Its Catalytic Activity in N-Arylation Reactions 水杨醛席夫碱-铜(II)配合物的合成、抑菌活性及其n -芳基化反应的催化活性
Pub Date : 2023-09-20 DOI: 10.23939/chcht17.03.557
Afrooz Majdi-Nasab, Fariba Heidarizadeh, Hossein Motamedi
Salicylaldehyde Schiff base-Cu complex (1:1 [M:L] chelate) was synthesized using salicylaldehyde, urea, and CuCl2. Its catalytic activity was then assessed in N-arylation of aromatic amines (1H-indole, 1H- pyrazole, 1H-imidazole, 1H-benzo[d][1,2,3]triazole, and aniline) with aryl halides. This reaction does not need aryl boronic acids as the active aryl source or palladium-based catalyst. Cu is cheaper than many other catalysts, and required ligands usually having quite simple structure and being inexpensive. On the other hand, with a proper ligand selection we can have a modified solubility, reactivity, and reaction efficiency. The structure and composition of this novel complex were approved by FT-IR, UV-Vis, atomic absorption spectroscopy, elemental analysis, and TGA/DTA. Investigating the antibacterial activity of the Cu complex suggests a significant antibacterial activity against standard species Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, and Bacillus subtilis.
以水杨醛、尿素和CuCl2为原料合成水杨醛席夫碱-铜络合物(1:1 [M:L]螯合物)。然后评估了它在芳香胺(1H-吲哚、1H-吡唑、1H-咪唑、1H-苯并[d][1,2,3]三唑和苯胺)与芳基卤化物n -芳基化反应中的催化活性。该反应不需要芳基硼酸作为活性芳基源或钯基催化剂。铜比许多其他催化剂便宜,所需的配体通常具有相当简单的结构和廉价。另一方面,通过适当的配体选择,我们可以改善溶解度,反应性和反应效率。该配合物的结构和组成经FT-IR、UV-Vis、原子吸收光谱、元素分析和TGA/DTA鉴定。对铜络合物的抑菌活性的研究表明,它对大肠杆菌、铜绿假单胞菌、金黄色葡萄球菌和枯草芽孢杆菌具有显著的抑菌活性。
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引用次数: 0
Photopolymerization of Poly(Hydroxyethyl Acrylate) (PHEA): Experimental Parameters-Viscoelastic Properties Relationship 聚丙烯酸羟乙酯(PHEA)的光聚合:实验参数-粘弹性关系
Pub Date : 2023-09-20 DOI: 10.23939/chcht17.03.592
Nouria Bouchikhi, Djahida Lerari, Salah Hamri, Faycal Dergal, Khaldoun Bachari, Lamia Bedjaoui-Alachaher
The activity of the photoinitiator system, based on triethanolamine (TEOA) and methylene blue (MB), on the photopolymerization of hydroxyethyl acrylate (HEA) monomer under very soft irradiation conditions, was evaluated. A remarkable difference in the polymerization kinetics of a set of PHEA experiments was underlined according to TEOA/MB concentrations, as well as the solutions pH. Indeed, the complex viscosity (η*), storage modulus (G'), and loss modulus (G") of the resulting polymers were potentially dependent on these experimental parameters despite comparable values of monomer conversion.
研究了以三乙醇胺(TEOA)和亚甲基蓝(MB)为基料的光引发剂体系在极软辐射条件下光聚合丙烯酸羟乙酯(HEA)单体的活性。根据TEOA/MB浓度以及溶液ph,一组PHEA实验的聚合动力学有显著差异。事实上,尽管单体转化率的值相当,但所得聚合物的复合粘度(η*)、储存模量(G’)和损失模量(G”)可能依赖于这些实验参数。
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引用次数: 0
[3+2] Cycloaddition of N-tert-Butyl, -(4-Trifluoromethyl)-Phenylnitrone with Methacrolein: Theoretical Investigation [3+2] n -叔丁基,-(4-三氟甲基)-苯硝基酮与甲基丙烯醛的环加成反应:理论研究
Pub Date : 2023-09-20 DOI: 10.23939/chcht17.03.518
Khaoula Kouchkar, Youcef Boumedjane, Salah Eddine Hachani
In this scientific contribution, regio- and diastereo- selectivity of [3+2] cycloaddition (32CA) of N-tert-butyl,α-(4-trifluoromethyl)-phenylnitrone (1) with methacrolein (2) were investigated using DFT method at B3LYP/6-31(d) computational level in gas and dichloromethane solvent. The molecular electrostatic potential MESP was used to show the most active centers in the examined molecules. Global and local reactivity indices as well as thermodynamic parameters have been calculated to explain the regioselectivity and stereoselectivity for the selected reaction. The possible chemoselective ortho/meta regioselectivity and stereo- (endo/exo) isomeric channels were investigated. Our theoretical results give important elucidations for the possible pathways related to the studied 32CA reaction.
在本科学贡献中,采用DFT方法在B3LYP/6-31(d)计算水平上研究了n -叔丁基,α-(4-三氟甲基)-苯基硝基(1)与甲基丙烯醛(2)的[3+2]环加成(32CA)的区域选择性和非对映选择性。用分子静电势MESP表示被测分子中最活跃的中心。计算了整体和局部反应性指数以及热力学参数来解释所选反应的区域选择性和立体选择性。研究了可能的化学选择性邻位/间位区域选择性和立体(内/外)异构体通道。我们的理论结果为研究的32CA反应的可能途径提供了重要的说明。
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引用次数: 0
Effects of Brownian Motions and Fractal Structure of Nanoparticles on Natural Convection 纳米粒子的布朗运动和分形结构对自然对流的影响
Pub Date : 2023-09-20 DOI: 10.23939/chcht17.03.617
Zohreh Zobeidi, Roohollah Sadeghi, Mohamad-Taghi Rostami
The study simulated heat transfer in alumina-water nanofluid in a natural convection flow and Rayleigh-Benard configuration considering the Brownian motions and fractal structure of the nanofluids. The simulations were based on a two-dimensional, Eulerian-Eulerian method. Many simulations have been performed to examine the effect of aspect ratio, heat flux, and para-meters related to the structure of the nanoclusters including size, fractal dimension, and volume fraction on the natural convective heat transfer coefficient. The comparison between the simulation results and the experimental data of heat transfer coefficient indicates a good agreement. The simulation results indicated that the enhancement of aspect ratio, heat flux, and fractal dimension increases the heat transfer coefficient. On the other hand, the reduction of nanoclusters and nanoparticle size decreased this coefficient. Moreover, the simulation results showed that in high heat transfer fluxes, the heat transfer coefficient first increases by increasing the nanoparticles solid volume fraction and then decreases. However, heat transfer coefficient decreased steadily with the increase in the nanoparticles solid volume fraction in low heat transfer fluxes. The results suggested that using the nanoparticles Brownian motion mechanism along with their fractal structure can be well-applied in natural-convection heat transfer modelling of nanofluids.
考虑纳米流体的布朗运动和分形结构,模拟了自然对流流和瑞利-贝纳德构型下氧化铝-水纳米流体的传热。模拟基于二维欧拉-欧拉方法。研究人员进行了许多模拟,以检验长径比、热流密度以及与纳米团簇结构相关的参数(包括尺寸、分形维数和体积分数)对自然对流换热系数的影响。计算结果与实验结果吻合较好。数值模拟结果表明,长径比、热流密度和分形维数的增大使换热系数增大。另一方面,纳米团簇和纳米颗粒尺寸的减小降低了该系数。此外,模拟结果表明,在高传热通量下,随着纳米颗粒固体体积分数的增加,传热系数先增大后减小。在低换热通量下,随着纳米颗粒固体体积分数的增加,换热系数逐渐减小。结果表明,利用纳米颗粒的布朗运动机制及其分形结构可以很好地应用于纳米流体的自然对流传热模型。
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引用次数: 0
Improvement of the Method of Calculating Heat Transfer Coefficients Using Glycols Taking into Account Surface Forces of Heat Carriers 考虑热载体表面力的用乙二醇计算传热系数方法的改进
Pub Date : 2023-09-20 DOI: 10.23939/chcht17.03.608
Yuriy Bilonoga, Volodymyr Atamanyuk, Volodymyr Stybel, Ihor Dutsyak, Uliana Drachuk
This study compares the classic calculating method of the heat transfer coefficients of the shell-and-tube heat exchanger tubes using the classic Nusselt, Reynolds, and Prandtl similarity numbers with a new method that takes into account the coefficients of surface tension of heat carriers, their transitional, turbulent viscosity and thermal conductivity, as well as the average thickness of the laminar boundary layer (LBL). The classic method shows a better efficiency of water as a heat carrier com-pared to a 45% aqueous solution of propylene glycol. Instead, the new calculation method shows that a 45% aqueous solution of propylene glycol at the same Rey-nolds numbers has higher heat transfer coefficients com-pared to water in the temperature range of 273–353 K. We divided the "live cross-section" of the flow of the liquid coolant into a medium-thick LBL, where the Fourier equation of thermal conductivity is applied, and into its turbulent part, where the equation of thermal conductivity with turbulent thermal conductivity is also applied. A new formula (14) is proposed for calculating the average thickness of the LBL based on the radius of the "live cross-section" of the coolant flow, as well as the Blturb similarity number obtained by us in previous works. A new formula (15) is also proposed for calculating the heat transfer coefficient, which includes the transitional and turbulent thermal conductivity of the corresponding zones of the flow "live section", as well as the average thickness of the LBL.
本文比较了采用经典的Nusselt、Reynolds和Prandtl相似数计算管壳换热管换热系数的经典方法与考虑热载体表面张力、过渡系数、湍流粘度和导热系数以及层流边界层(laminar边界层)平均厚度的新方法。与45%的丙二醇水溶液相比,经典方法显示水作为热载体的效率更高。相反,新的计算方法表明,相同雷诺德数的45%丙二醇水溶液在273 ~ 353 K的温度范围内比水具有更高的换热系数。我们将液体冷却剂流动的“活截面”分为中厚LBL,其中应用了导热系数的傅立叶方程,并将其分为湍流部分,其中也应用了具有湍流导热系数的导热系数方程。根据冷却剂流动的“活截面”半径,结合我们在以往工作中得到的Blturb相似数,提出了计算LBL平均厚度的新公式(14)。本文还提出了计算换热系数的新公式(15),其中包括流动“活截面”对应区域的过渡导热系数和湍流导热系数,以及LBL的平均厚度。
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引用次数: 0
Salicylaldehydes Derived from 5-Chloromethyl-2-hydroxybenzaldehyde – Synthesis and Reactions 5-氯甲基-2-羟基苯甲醛衍生的水杨醛-合成与反应
Pub Date : 2023-09-20 DOI: 10.23939/chcht17.03.532
Gheorghe Roman
A series of salicylaldehydes have been prepared through the replacement of the easily leaving chlorine atom in 5-chloromethyl-2-hydroxybenzaldehyde with various O-, S- or N-nucleophiles. The involvement of a few of these salicylaldehydes in the synthesis of heterocycles such as benzofuran or coumarin, or as substrate in the Petasis borono-Mannich reaction has been explored.
用各种O-、S-或n -亲核试剂取代5-氯甲基-2-羟基苯甲醛中易离开的氯原子,制备了一系列水杨醛。其中一些水杨醛参与了杂环化合物的合成,如苯并呋喃或香豆素,或作为底物在Petasis硼-曼尼希反应中进行了探索。
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引用次数: 0
Photocatalytic Degradation of Polyethylene Plastics Using MgAl2O4 Nanoparticles Prepared by Solid State Method 固体法制备MgAl2O4纳米颗粒光催化降解聚乙烯塑料
Pub Date : 2023-09-20 DOI: 10.23939/chcht17.03.503
Sajda .S. Affat, Saad Shahad Mohammed
In this study, MgAl2O4 nanoparticles with different calcination times were synthesized for photocatalytic applications. Different analyses techniques such as XRD, SEM, EDX, UV-visible, and FTIR were performed to investigate the structural, chemical, optical, and mor-phological properties of the synthesized nanoparticles. XRD analysis revealed the formation MgAl2O4 spinel structure. UV-Visible measurements indicate that MgAl2O4-2 nanoparticles had a narrower energy gap compared to MgAl2O4-1 and MgAl2O4-3. Results of SEM analysis revealed that the synthesized MgAl2O4 nanoparticles consist of small aggregated particles with (40-60 nm) particles size. EDX measurements con-firmed the formation of MgAl2O4 nanoparticles without any impurities. The photocatalytic performance was evaluated by the photodegradation of polyethylene plastics using MgAl2O4 nanoparticles under UV irradiation. The FT-IR measurements before and after the degradation of polyethylene plastics confirm the formation of new functional groups as a result of photodegradation processes.
在本研究中,合成了不同煅烧时间的MgAl2O4纳米颗粒用于光催化。采用XRD、SEM、EDX、UV-visible和FTIR等不同的分析技术来研究合成的纳米颗粒的结构、化学、光学和形态特征。XRD分析显示形成的MgAl2O4尖晶石结构。紫外可见测量结果表明,MgAl2O4-2纳米粒子的能隙比MgAl2O4-1和MgAl2O4-3纳米粒子的能隙更小。SEM分析结果表明,合成的MgAl2O4纳米颗粒由粒径为(40 ~ 60 nm)的小颗粒聚集而成。EDX测量证实形成了没有任何杂质的MgAl2O4纳米颗粒。采用MgAl2O4纳米颗粒在紫外光照射下光降解聚乙烯塑料,考察了其光催化性能。聚乙烯塑料降解前后的FT-IR测量证实,由于光降解过程,形成了新的官能团。
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引用次数: 0
Antibacterial Matte Glass-Ceramic Coatings with Satin Texture for Ceramic Tiles 抗菌磨砂玻璃陶瓷涂料与缎面纹理瓷砖
Pub Date : 2023-09-20 DOI: 10.23939/chcht17.03.655
Oksana Savvova, Yana Pokroieva, Hennadii Voronov, Olena Babich, Yuliia Smyrnova
Antibacterial satin glass-ceramic coatings for ceramic tiles have been developed by one-stage firing on the basis of high-calcium zinc aluminum silicate frits, which are modified with heavy metal cations. The antibacterial effect of the developed matte glass-ceramic coatings with a satin texture was established due to the effect of potentiating the antibacterial activity of the combined action of the hardystonite crystalline phase and fillers of zinc and tin oxides.
以高钙锌铝硅酸盐熔块为基料,经重金属阳离子改性,采用一段烧制方法研制出瓷砖用抗菌缎面玻璃陶瓷涂料。硬石晶相与氧化锌、氧化锡填料的共同作用增强了硬石晶相的抗菌活性,从而建立了具有缎面结构的哑光玻璃陶瓷涂层的抗菌效果。
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引用次数: 0
Influence of Natural Clinoptilolite Modification with Ions and Zero-Valent Silver on Its Sorption Capacity 离子和零价银改性天然斜沸石对其吸附性能的影响
Pub Date : 2023-09-20 DOI: 10.23939/chcht17.03.646
Zenovii Znak, Viktoria Kochubei
Areas of use of natural clinoptilolite were analyzed. The emphasis was placed on its application in water technology and medical practice. The results of the study of the dehydration of clinoptilolite at different temperatures were presented. The influence of the activation temperature of clinoptilolite on its sorption capacity for silver ions was determined. The effect of modification with ions and highly dispersed silver particles on the sorption capacity of various zeolite fractions with respect to water was investigated.
分析了天然斜沸石的应用领域。重点是它在水技术和医疗实践中的应用。介绍了斜沸石在不同温度下脱水的研究结果。测定了斜沸石活化温度对其银离子吸附能力的影响。研究了离子和高度分散的银粒子改性对不同沸石馏分对水的吸附能力的影响。
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引用次数: 0
Effect of Tween 80 on the Stability and Conformation of Telomeric G-Quadruplex DNA Tween 80对端粒g -四重体DNA稳定性和构象的影响
Pub Date : 2023-09-20 DOI: 10.23939/chcht17.03.567
Ismail A. Elhaty
G-quadruplex DNA is formed in telomer. It inhibits telomerase enzyme which is found active in more than 85 % of cancer cells. In this work, the effect of Tween 80 on telomeric G-quadruplex DNA, AGGG(TTAGGG)3 was studied using circular dichroism spectroscopic technique. The obtained results showed that using Tween 80 with telomeric quadruplex is safe up to less than 1.0 %.
g -四重体DNA在端粒体中形成。它能抑制端粒酶,这种酶在85%以上的癌细胞中都很活跃。本文利用圆二色光谱技术研究了Tween 80对端粒g -四重体DNA AGGG(TTAGGG)3的影响。结果表明,端粒四重体使用Tween 80的安全性不超过1.0%。
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引用次数: 0
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Chemistry and Chemical Technology
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