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Chronoamperometric response of electrochemical reaction diffusion system: a new theoretical and numerical investigation for EC2 scheme 电化学反应扩散系统的时变响应:针对 EC2 方案的新理论和数值研究
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-09 DOI: 10.1007/s13738-024-03063-1
A. Eswari, S. Saravana kumar

This paper introduces a novel mathematical model for chronoamperometric analysis of electrochemical reactions in the EC2 scheme. Utilizing the homotopy perturbation method, we address the highly nonlinear reaction–diffusion equations, even under non-steady state conditions. We offer an approximate analytical expression for species O and R concentrations, along with sensitivity analysis on diffusion and kinetic parameters. Results under steady state conditions validate our model against prior findings. Additionally, we provide a numerical solution using Matlab and Maple software, demonstrating satisfactory agreement with experimental data.

本文介绍了 EC2 方案中用于电化学反应时变分析的新型数学模型。利用同调扰动法,我们解决了高度非线性的反应-扩散方程,即使在非稳态条件下也是如此。我们提供了物种 O 和 R 浓度的近似分析表达式,并对扩散和动力学参数进行了敏感性分析。稳态条件下的结果验证了我们的模型与之前研究结果的一致性。此外,我们还使用 Matlab 和 Maple 软件提供了数值解决方案,证明与实验数据的一致性令人满意。
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引用次数: 0
Recent progress of organosilicon compound: synthesis and applications 有机硅化合物的最新进展:合成与应用
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-28 DOI: 10.1007/s13738-024-03041-7
Hoda Mollabagher, Mohammad M. Mojtahedi, Seyed Amir Hossein Seyed Mousavi

Organosilicon compounds play a crucial role as essential building blocks and valuable organic molecules in various materials. They are extensively utilized as synthetic intermediates in chemical synthesis processes. Recent studies have highlighted the multifaceted role of silicon compounds, showcasing their significance not only as reactive participants or products but also as potent catalysts in various chemical reactions, as reported by researchers. In this comprehensive review, our objective is to provide a summary of recent advancements in synthesizing various organosilicon compounds in formation of silicon–carbon, silicon–oxygen, silicon–nitrogen and explore the applications of siliconic materials as catalysts in polymerization, reduction, and isomerization processes. Emphasizing the significant potential of this methodology, we aspire to inspire further research and applications in this rapidly emerging field. Furthermore, this review covers over 50 years of research on organosilicon chemistry in CCERCI under supervision of Prof. Seyed Mohammad Bolourtchian.

Graphical Abstract

有机硅化合物是各种材料的重要组成部分和宝贵的有机分子,发挥着至关重要的作用。它们在化学合成过程中被广泛用作合成中间体。最近的研究突显了硅化合物的多方面作用,正如研究人员所报告的那样,硅化合物不仅作为反应参与者或产物,还作为各种化学反应中的强效催化剂,展示了其重要意义。在这篇综合综述中,我们旨在总结合成硅碳、硅氧、硅氮等各种有机硅化合物的最新进展,并探讨硅材料作为催化剂在聚合、还原和异构化过程中的应用。我们强调了这一方法的巨大潜力,并希望激发在这一快速新兴领域的进一步研究和应用。此外,本综述涵盖了在 Seyed Mohammad Bolourtchian 教授的指导下,CCERCI 在有机硅化学方面 50 多年的研究成果。
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引用次数: 0
Assessment of the cytotoxicity of silver-graphene oxide nanocomposites on Escherichia coli and glioblastoma cancer cells 评估银-氧化石墨烯纳米复合材料对大肠杆菌和胶质母细胞瘤癌细胞的细胞毒性
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-26 DOI: 10.1007/s13738-024-03013-x
Marjan Moghayedi, Elaheh K. Goharshadi, Kiarash Ghazvini, Laleh Ranjbaran

In this research, we examined the toxicity of Ag-graphene oxide (GO) nanocomposites against both the Gram-negative bacterium Escherichia coli and Glioblastoma cancer cells (U87MG). Our findings reveal that Ag-GO possesses bactericidal properties, with a minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of 160 µg/mL. The antibacterial efficacy of Ag-GO is contingent on contact time and concentration, making it a potential candidate for integration into materials designed to combat microbial infections. The bactericidal effect of Ag-GO can be attributed to the release of silver ions and the physical damage inflicted by the sharp edges of GO sheets. Furthermore, our study demonstrates that Ag-GO exhibits anticancer activity against U87MG cells, with an IC50 value of 270 µg/mL. The mechanism underlying the anticancer activity of Ag-GO likely involves cell membrane disruption and apoptosis induction. These findings signify the promising medical and biological applications of Ag-graphene oxide nanocomposites.

在这项研究中,我们考察了 Ag-氧化石墨烯(GO)纳米复合材料对革兰氏阴性菌大肠杆菌和胶质母细胞瘤癌细胞(U87MG)的毒性。我们的研究结果表明,Ag-GO 具有杀菌特性,最低抑菌浓度 (MIC) 和最低杀菌浓度 (MBC) 均为 160 µg/mL。Ag-GO的抗菌效果取决于接触时间和浓度,因此有可能被整合到用于抗微生物感染的材料中。Ag-GO的杀菌效果可归因于银离子的释放和GO片材锋利边缘造成的物理损伤。此外,我们的研究表明,Ag-GO 对 U87MG 细胞具有抗癌活性,其 IC50 值为 270 µg/mL。Ag-GO 的抗癌活性机制可能涉及细胞膜破坏和细胞凋亡诱导。这些发现表明,Ag-氧化石墨烯纳米复合材料具有广阔的医学和生物学应用前景。
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引用次数: 0
Two new coordination polymers of Tl(I) & Hg(II), based on nicotinic acid ligand: synthesis, characterization, crystal structure determination & DFT calculation 基于烟酸配体的两种新的钛(I)和汞(II)配位聚合物:合成、表征、晶体结构测定和 DFT 计算
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-25 DOI: 10.1007/s13738-024-03060-4
Tayyebeh Beyk Mohammadi, Robabeh Alizadeh, Azam Jalalian, Sara Seyfi, Vahid Amani

Two new complexes, [Tl(pyc)]n (1) and {[Hg(pyc.H)(μ-Br)2].C2H5OH}n (2) have been synthesized by the reaction of one and two equivalent of pyridine 3-carboxylic acid (pyc.H) ligand with Tl2(CO3) (1) and HgBr2 (2), respectively. The complexes were fully characterized by elemental analysis, UV, FT-IR, FT-NMR and emission spectroscopies and their structures were studied by the single-crystal X-ray diffraction method. According to X-ray analysis, complex 1 (τ5 = 0.915) exhibit slightly distorted trigonal bipyramidal geometry around Tl(I) and complex 2 (τ5 = 0.062) shows a slightly distorted square pyramidal geometry around Hg(II). There are intermolecular hydrogen bonding (for complexes 1 and 2) and π-π contacts (for complex 2) which play a significant role in the stabilization of the crystal structure. Luminescence studies revealed the emission properties of free ligand and both complexes in solution. Moreover, in this study, density functional theory (DFT) was performed for Tl(I) coordination polymer 1. The optimized geometry of this complex is shown in good agreement by single crystal X-ray data. Molecular properties including bond lengths, bond angles, and HOMO-LUMO energy levels, were analyzed. Moreover, the UV-Vis spectra were analyzed using time-dependent density functional theory (TD-DFT) method. The tendency of the donor-acceptor interactions in the complex 1 was examined using natural bond orbital (NBO) analysis. In addition, the partial density of states (PDOS) calculation indicates that the π-character of the aromatic pyridine ligand plays role in dominating the valence bands with negligible participation of the Tl orbitals.

通过一个和两个当量的吡啶 3-羧酸(pyc.H)配体分别与 Tl2(CO3) (1) 和 HgBr2 (2) 反应,合成了两个新的配合物 [Tl(pyc)]n (1) 和 {[Hg(pyc.H)(μ-Br)2].C2H5OH}n (2)。这些配合物通过元素分析、紫外光谱、傅立叶变换红外光谱、傅立叶变换核磁共振光谱和发射光谱进行了全面表征,并通过单晶 X 射线衍射法研究了它们的结构。根据 X 射线分析,络合物 1(τ5 = 0.915)在 Tl(I)周围呈现略微扭曲的三叉双锥几何形状,络合物 2(τ5 = 0.062)在 Hg(II)周围呈现略微扭曲的正方形金字塔几何形状。络合物 1 和 2 存在分子间氢键和 π-π 接触(络合物 2),这在稳定晶体结构方面发挥了重要作用。发光研究揭示了游离配体和两种复合物在溶液中的发射特性。此外,本研究还对 Tl(I)配位聚合物 1 进行了密度泛函理论(DFT)分析。单晶 X 射线数据显示,该配合物的优化几何形状非常吻合。分析了包括键长、键角和 HOMO-LUMO 能级在内的分子特性。此外,还使用时间相关密度泛函理论(TD-DFT)方法分析了紫外可见光谱。利用自然键轨道(NBO)分析法研究了复合物 1 中供体-受体相互作用的趋势。此外,部分状态密度(PDOS)计算表明,芳香吡啶配体的 π 特征在价带中起主导作用,而 Tl 轨道的参与可以忽略不计。
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引用次数: 0
Synthesis of activated carbon and its rGO composite using pomegranate peels: its photocatalytic and electrode material for high capacitance supercapacitor applications 利用石榴皮合成活性炭及其 rGO 复合材料:用于高电容超级电容器应用的光催化和电极材料
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-24 DOI: 10.1007/s13738-024-03030-w
B. V. Raghu Vamshi Krishna, T. Nageswara Rao

The peels of pomegranate fruits were employed in the current work to produce activated carbon (AC) using the high temperature carbonization method. The generated activated carbon using pomegranate peel (AC-PP) powder was discovered to have a layered and porous form as revealed by scanning electron microscopic images. It was discovered that activated carbon had an energy gap (Eg) of 4.454 eV. The photocatalytic experiments performed for the degradation of fast blue dye reveal that after 120 min of UV light irradiation, the AC-PP powder achieve a decolorization rate of 62.9%, respectively. Current was collected through the nickel mesh, and the electrochemical elements in rGO, the principal active component in AC-PP powder, were supported by the mesh. Nickel mesh electrodes were analysed using impedance spectroscopy and cyclic voltammetry. Both AC-PP and AC-PP-rGO electrodes' hydrogen diffusion coefficients were determined to be 1.134 10–4 and 0.0014 cm2 s−1, respectively. Experiments with galvanostatic charge–discharge revealed the produced AC-PP and AC-PP-rGO electrodes' superior capacitance potential, which is useful in the fabrication of supercapacitors. The AC-PP and AC-PP-rGO electrodes have 175.6 and 324.8 F g−1 specific capacitances. These unique impacts can also be assessed by energy storage performance using affordable carbon resources in various applications. These novel results might be used for developing up particular resources for environmental and power storage applications.

本研究利用石榴果皮,采用高温碳化法生产活性炭(AC)。扫描电子显微镜图像显示,利用石榴皮粉末生成的活性炭(AC-PP)具有分层和多孔的形式。研究发现,活性炭的能隙(Eg)为 4.454 eV。光催化降解快蓝染料的实验表明,在紫外光照射 120 分钟后,AC-PP 粉末的脱色率分别达到 62.9%。电流通过镍网收集,AC-PP 粉末中的主要活性成分 rGO 中的电化学元素得到了镍网的支持。使用阻抗光谱法和循环伏安法对镍网电极进行了分析。经测定,AC-PP 和 AC-PP-rGO 电极的氢扩散系数分别为 1.134 10-4 和 0.0014 cm2 s-1。电流静态充放电实验显示,制得的 AC-PP 和 AC-PP-rGO 电极具有优异的电容电势,这对制造超级电容器非常有用。AC-PP 和 AC-PP-rGO 电极的比电容分别为 175.6 和 324.8 F g-1。这些独特的影响还可以通过在各种应用中使用负担得起的碳资源来评估其储能性能。这些新成果可用于开发环境和电力存储应用的特殊资源。
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引用次数: 0
Experimental and theoretical investigations of an unsymmetrical tridentate schiff base as an anti-corrosion agent for mild steel in 2M hydrochloric acid electrolyte 一种非对称三叉片基作为低碳钢在 2M 盐酸电解液中的防腐剂的实验和理论研究
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-21 DOI: 10.1007/s13738-024-03042-6
Halime Morovati, Mohammad R. Noorbala, Mansoor Namazian, Hamid R. Zare, Ahmad Ali Dehghani-Firouzabadi

The inhibition performance and adsorption behavior of an unsymmetrical tridentate Schiff base, 2-(((2-((2-nitrophenyl) thio) phenyl) imino) methyl)phenol (NOS) on mild steel in 2M hydrochloric acid solution has been studied using electrochemical and quantum chemical techniques. The electrochemical outcomes suggest that NOS works as an anodic-type inhibitor. The adsorption process of the NOS Schiff base obeys the Langmuir model. The theoretical evaluation has been performed using DFT calculations to investigate the correlation of effective corrosion inhibition with some NOS Schiff base structural parameters. The obtained results revealed that there was a good agreement between the theoretical and experimental results.

使用电化学和量子化学技术研究了非对称三叉席夫碱--2-((2-((2-硝基苯基)硫)苯基)亚氨基)甲基)苯酚(NOS)在 2M 盐酸溶液中对低碳钢的抑制性能和吸附行为。电化学结果表明,NOS 是一种阳极型抑制剂。NOS 希夫碱的吸附过程符合朗穆尔模型。通过 DFT 计算进行了理论评估,研究了有效缓蚀作用与 NOS 席夫碱某些结构参数的相关性。结果表明,理论结果与实验结果之间存在良好的一致性。
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引用次数: 0
L-Lysine-derived fluorescent salicylidenes: synthesis, characterization and turn-off Cu2+ and Co2+ selective cation sensing 由 L-赖氨酸衍生的荧光水杨醛:合成、表征和关断 Cu2+ 和 Co2+ 选择性阳离子传感
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-19 DOI: 10.1007/s13738-024-03052-4
Soumaya Agren, Jamal El Haskouri, Emmanuel Beyou, Mohamed Hassen V Baouab

Two L-lysine-derived salicylidene ligands have been synthesized under ultrasound irradiations and characterized by several spectroscopic techniques. Both ligands exhibited a blue fluorescence emission in ethanolic solutions. (S, E)-3-Amino-7-((2-hydroxybenzylidene) amino) heptanoic acid (A) and (S, E)-3-amino-7-((4-chloro-2-hydroxybenzylidene) amino) heptanoic acid (B) showed a turn-off sensing of Cu2+ and Co2+ cations, respectively, over several tested transition metal cations such as Fe2+, Zn2+, Cr3+, Co2+, Ni2+ and Cu2+ in aqueous media. The ability of both tested L-lysine-derived ligands (A) and (B) to distinguish Cu2+ and CO2+, respectively, has been verified by optical studies, showing new absorption bands around 304 and 391 nm for (A)-Cu2+ and a new band around 455 nm for (B)-Co2+ along with the disappearance of the original bands supporting thereby the noticed Turn–Off results.

Graphical abstract

在超声辐照下合成了两种由 L-赖氨酸衍生的水杨醛配体,并利用多种光谱技术对其进行了表征。这两种配体在乙醇溶液中都发出蓝色荧光。(S,E)-3-氨基-7-((2-羟基亚苄基)氨基)庚酸(A)和(S,E)-3-氨基-7-((4-氯-2-羟基亚苄基)氨基)庚酸(B)显示出对 Cu2+ 和 Co2+ 阳离子的关断感应、在水介质中分别比几种测试的过渡金属阳离子(如 Fe2+、Zn2+、Cr3+、Co2+、Ni2+ 和 Cu2+)更敏感。通过光学研究验证了两种测试的 L-赖氨酸衍生配体(A)和(B)分别区分 Cu2+ 和 CO2+ 的能力,结果表明(A)-Cu2+ 在 304 和 391 纳米附近出现了新的吸收带,(B)-Co2+ 在 455 纳米附近出现了新的吸收带,同时原来的吸收带消失了,从而支持了注意到的关断结果。
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引用次数: 0
Retraction Note: ZnO as a promising nanocarrier for efficient delivery of 5-fluorouracil anticancer drug 撤稿说明:氧化锌是一种有望高效递送 5-氟尿嘧啶抗癌药物的纳米载体
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-18 DOI: 10.1007/s13738-024-03059-x
Ye Li, Jianjun Zhu, Nan Zhao, Gang Ma, Bohu Liu, Jiajun Xu
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引用次数: 0
Recent advances in electrochemical biosensors for the determination of biomolecules on modified and unmodified electrodes 在改性和未改性电极上测定生物分子的电化学生物传感器的最新进展
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-18 DOI: 10.1007/s13738-024-03050-6
S. Thulasiprevinnah, Shahid Bashir, K. Ramesh, S. Ramesh

Electrochemical sensors are a class of sensors in which the electrode is the transducer element. In this type of sensor, an electrode is a critical component employed as a solid support for immobilizing biomolecules and electron movement. The material, fabrication approach, and design affect the electrode’s structure and properties, which ultimately determine the biosensor’s performance, including sensitivity, selectivity, limit of detection, and dynamic range. They also influence the biosensor’s cost, manufacturability, disposability, and measurement capabilities. This review article describes recent advances in using non-modified and modified electrodes as support in electrochemical biosensors for the determination of biomolecules. It summarizes recent work on modifying electrodes using carbonaceous materials, conducting polymers, MXenes, and transition metal oxide nanomaterials. It also focuses on current techniques, types of materials, designs, simulation studies, and fabrication methods on unmodified and modified electrodes. Lastly, challenges in electrochemical sensors were identified, and future directions were presented comprehensively.

Graphical Abstract

电化学传感器是一类以电极为换能器元件的传感器。在这类传感器中,电极是作为固定生物分子和电子运动的固体支撑的关键部件。电极的材料、制造方法和设计会影响电极的结构和特性,最终决定生物传感器的性能,包括灵敏度、选择性、检测极限和动态范围。它们还会影响生物传感器的成本、可制造性、可抛弃性和测量能力。这篇综述文章介绍了在电化学生物传感器中使用非改性和改性电极作为支持物测定生物分子的最新进展。文章总结了使用碳质材料、导电聚合物、MXenes 和过渡金属氧化物纳米材料改性电极的最新研究成果。报告还重点介绍了当前的技术、材料类型、设计、模拟研究以及未改性和改性电极的制造方法。最后,还指出了电化学传感器所面临的挑战,并全面介绍了未来的发展方向。
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引用次数: 0
Iodide adsorption from aqueous solutions using zirconium-containing anion exchange resin as an oxidizing resin: batch and column studies 使用含锆阴离子交换树脂作为氧化树脂吸附水溶液中的碘化物:批处理和柱研究
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-17 DOI: 10.1007/s13738-024-03014-w
Mona Akbari, Shahram Sharifnia

In the current study, a zirconium-containing anion exchange resin was synthesized as an oxidizing resin for iodide adsorption from aqueous solutions. The static adsorption capacity of the oxidizing resin was 612.86 mg/g (obtained from isotherm studies and the Langmuir model). This capacity was 31% higher than the capacity of counter parent resin for iodide adsorption. Adsorption performance of the oxidizing resin was close to maximal over a wide range of pHs (2–7), and the best results were obtained at pH = 3 (8.5% higher than the resin capacity in neutral pH). Iodide removal selectivity in the presence of three commonly encountered anions ({{text{SO}}}_{4}^{2-}), ({{text{NO}}}_{3}^{-}) and ({{text{Cl}}}^{-}) was improved. The iodide selectivity of oxidizing resin in the presence of ({{text{Cl}}}^{-}) ion was excellent. Breakthrough curves of both resins with and without encountered anions were fitted with common breakthrough curve models. The results were consistent with the results of the batch mood experiments. Pseudo-second-order kinetic was described kinetic behavior of both resins well. An iodide adsorption mechanism was proposed using the results of batch experiments and the resin characterizations (XPS and Raman spectra). The potential of oxidizing resin for iodide oxidation into iodine increased the capacity and selectivity of resin toward iodide ions.

本研究合成了一种含锆阴离子交换树脂,作为从水溶液中吸附碘化物的氧化树脂。氧化树脂的静态吸附容量为 612.86 mg/g(根据等温线研究和 Langmuir 模型得出)。该吸附容量比反母体树脂的碘化物吸附容量高出 31%。氧化树脂的吸附性能在很宽的 pH 值范围(2-7)内都接近最大值,在 pH = 3 时吸附效果最好(比中性 pH 值时的吸附能力高 8.5%)。在存在三种常见阴离子({{text{SO}}}_{4}^{2-}/)、({{text{NO}}}_{3}^{-}/)和({{text{Cl}}}^{-}/)的情况下,碘化物的去除选择性有所提高。在 ({{text{Cl}}^{-}) 离子存在下,氧化树脂的碘化物选择性非常好。用常见的突破曲线模型拟合了有阴离子和无阴离子两种树脂的突破曲线。结果与批量情绪实验结果一致。伪二阶动力学很好地描述了两种树脂的动力学行为。利用批次实验结果和树脂表征(XPS 和拉曼光谱)提出了碘化物吸附机理。氧化树脂将碘氧化成碘的潜力提高了树脂对碘离子的吸附能力和选择性。
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引用次数: 0
期刊
Journal of the Iranian Chemical Society
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