Pub Date : 2024-07-09DOI: 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。
{"title":"Chronoamperometric response of electrochemical reaction diffusion system: a new theoretical and numerical investigation for EC2 scheme","authors":"A. Eswari, S. Saravana kumar","doi":"10.1007/s13738-024-03063-1","DOIUrl":"10.1007/s13738-024-03063-1","url":null,"abstract":"<div><p>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 <i>O</i> and <i>R</i> 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.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 8","pages":"2183 - 2199"},"PeriodicalIF":2.2,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141571075","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}
Pub Date : 2024-06-28DOI: 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。
{"title":"Recent progress of organosilicon compound: synthesis and applications","authors":"Hoda Mollabagher, Mohammad M. Mojtahedi, Seyed Amir Hossein Seyed Mousavi","doi":"10.1007/s13738-024-03041-7","DOIUrl":"10.1007/s13738-024-03041-7","url":null,"abstract":"<div><p>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.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 7","pages":"1795 - 1816"},"PeriodicalIF":2.2,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141509663","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}
Pub Date : 2024-06-26DOI: 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.
{"title":"Assessment of the cytotoxicity of silver-graphene oxide nanocomposites on Escherichia coli and glioblastoma cancer cells","authors":"Marjan Moghayedi, Elaheh K. Goharshadi, Kiarash Ghazvini, Laleh Ranjbaran","doi":"10.1007/s13738-024-03013-x","DOIUrl":"10.1007/s13738-024-03013-x","url":null,"abstract":"<div><p>In this research, we examined the toxicity of Ag-graphene oxide (GO) nanocomposites against both the Gram-negative bacterium <i>Escherichia coli</i> 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 IC<sub>50</sub> 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.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 7","pages":"1817 - 1827"},"PeriodicalIF":2.2,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141509658","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}
Pub Date : 2024-06-25DOI: 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.
{"title":"Two new coordination polymers of Tl(I) & Hg(II), based on nicotinic acid ligand: synthesis, characterization, crystal structure determination & DFT calculation","authors":"Tayyebeh Beyk Mohammadi, Robabeh Alizadeh, Azam Jalalian, Sara Seyfi, Vahid Amani","doi":"10.1007/s13738-024-03060-4","DOIUrl":"10.1007/s13738-024-03060-4","url":null,"abstract":"<div><p>Two new complexes, [Tl(pyc)]<sub>n</sub> (<b>1</b>) and {[Hg(pyc.H)(μ-Br)<sub>2</sub>].C<sub>2</sub>H<sub>5</sub>OH}<sub>n</sub> (<b>2</b>) have been synthesized by the reaction of one and two equivalent of pyridine 3-carboxylic acid (pyc<b><i>.</i></b>H) ligand with Tl<sub>2</sub>(CO<sub>3</sub>) (<b>1</b>) and HgBr<sub>2</sub> (<b>2</b>), 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<b> 1</b> (<i>τ</i><sub><i>5</i></sub> = 0.915) exhibit slightly distorted trigonal bipyramidal geometry around Tl(I) and complex <b>2</b> (<i>τ</i><sub><i>5 =</i></sub> 0.062) shows a slightly distorted square pyramidal geometry around Hg(II). There are intermolecular hydrogen bonding (for complexes <b>1</b> and <b>2</b>) and π-π contacts (for complex<b> 2</b>) 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<b> 1</b>. 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 <b>1</b> 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.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 8","pages":"2159 - 2172"},"PeriodicalIF":2.2,"publicationDate":"2024-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141509659","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}
Pub Date : 2024-06-24DOI: 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.
{"title":"Synthesis of activated carbon and its rGO composite using pomegranate peels: its photocatalytic and electrode material for high capacitance supercapacitor applications","authors":"B. V. Raghu Vamshi Krishna, T. Nageswara Rao","doi":"10.1007/s13738-024-03030-w","DOIUrl":"10.1007/s13738-024-03030-w","url":null,"abstract":"<div><p>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 (<i>E</i><sub>g</sub>) 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<sup>–4</sup> and 0.0014 cm<sup>2</sup> s<sup>−1</sup>, 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<sup>−1</sup> 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.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 7","pages":"1885 - 1896"},"PeriodicalIF":2.2,"publicationDate":"2024-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141509660","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}
Pub Date : 2024-06-21DOI: 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。
{"title":"Experimental and theoretical investigations of an unsymmetrical tridentate schiff base as an anti-corrosion agent for mild steel in 2M hydrochloric acid electrolyte","authors":"Halime Morovati, Mohammad R. Noorbala, Mansoor Namazian, Hamid R. Zare, Ahmad Ali Dehghani-Firouzabadi","doi":"10.1007/s13738-024-03042-6","DOIUrl":"10.1007/s13738-024-03042-6","url":null,"abstract":"<div><p>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.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 7","pages":"1947 - 1961"},"PeriodicalIF":2.2,"publicationDate":"2024-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141509661","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}
Pub Date : 2024-06-19DOI: 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.