Phosphate and pyrophosphate can advance green chemistry as nontoxic and sustainable catalysts. This study presents the development of a novel series of solid composite catalysts, comprising AlCl3 and alkaline-earth metal (pyro)phosphates. The efficacy of these catalysts in facilitating the hydrosilylation of olefins with hydrosilanes has been thoroughly examined. Adding aluminum chloride enhances the catalytic activity of calcium phosphate for the catalysis hydrosilylation reaction, enabling efficient conversion of various linear alkenes into corresponding adducts with excellent yields. Furthermore, this catalytic system exhibits remarkable stability, maintaining its activity over 15 cycles without significant decrease.
{"title":"Synergistic Effect of Alkaline-Earth Metal (Pyro) Phosphates and Aluminum Trichloride on the Hydrosilylation of Olefins","authors":"Jun Liu, Xinyu Wang, Ting Ouyang, Huilin Lan, Ying Bai, Jiayun Li, Yichen Huang, Jiajian Peng","doi":"10.1002/aoc.70040","DOIUrl":"https://doi.org/10.1002/aoc.70040","url":null,"abstract":"<div>\u0000 \u0000 <p>Phosphate and pyrophosphate can advance green chemistry as nontoxic and sustainable catalysts. This study presents the development of a novel series of solid composite catalysts, comprising AlCl<sub>3</sub> and alkaline-earth metal (pyro)phosphates. The efficacy of these catalysts in facilitating the hydrosilylation of olefins with hydrosilanes has been thoroughly examined. Adding aluminum chloride enhances the catalytic activity of calcium phosphate for the catalysis hydrosilylation reaction, enabling efficient conversion of various linear alkenes into corresponding adducts with excellent yields. Furthermore, this catalytic system exhibits remarkable stability, maintaining its activity over 15 cycles without significant decrease.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431362","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abdel-Nasser M. A. Alaghaz, Othman Hakami, Abdullah Ali Alamri, Nasser Amri, G. Souadi, Sharah A. Aldulmani
A new novel bidentate benzothiazole ligand, 2-(6-fluorobenzo[d]thiazol-2-yl)phenol (HFBTP), is synthesized through condensing 2-mercaptoaniline and 2-hydroxybenzoic acid in 1:1 ratio. Nano-sized bivalent metal complexes are created and subsequently characterized using various physical methods. Based on the elemental analysis results, the complexes are inferred to follow the overall formula [M (FBTBT)2] (as M = Cu(II) (S1), Ni(II) (S2), Pd(II) (S3), and Pt(II) (S4) and FBTP = Ligand). Quantum chemical calculations, along with electronic spectra, electron paramagnetic resonance (EPR), cyclic voltammetry (CV), and magnetic susceptibility findings, indicate that all complexes exhibit a square planar configuration. The SEM, EDX, and AFM analyses of the studied complex unveils distinct and strong diffraction peaks, indicating its crystalline nature and providing evidence of its nano-sized particle sizes. The in vitro antimicrobial efficacy of the ligand and metal complexes was inspected against various bacterial and fungal pathogens. Viscosity measurements and UV–visible absorption were used to study the binding interactions of S1–S4 with calf thymus DNA. The DNA cleavage ability of S1–S4 with pUC19 DNA indicates that the complexes can cleave DNA without the use of any external agents. The complexes showed significantly high cytotoxicity against PC3 (prostate cancer cells). Moreover, M(II) complexes exhibited the capability for triggering DNA damage in HePG2 cells, resulting in dose-dependent cell apoptosis. Subsequent investigations revealed that complex triggered cell cycle arrest during the S and G2 phases.
{"title":"Cell Cycle Arrest, Apoptosis Assay, Cytotoxicity, Molecular Docking, DNA Binding/Cleavage, and Biological Evaluation of Pt(II), Ni(II), Pd(II), and Cu(II) Nano-Sized Complexes of 2-(6-Fluorobenzo[d]thiazol-2-yl)phenol: Design, Synthesis, and Spectral Approach","authors":"Abdel-Nasser M. A. Alaghaz, Othman Hakami, Abdullah Ali Alamri, Nasser Amri, G. Souadi, Sharah A. Aldulmani","doi":"10.1002/aoc.70060","DOIUrl":"https://doi.org/10.1002/aoc.70060","url":null,"abstract":"<p>A new novel bidentate benzothiazole ligand, 2-(6-fluorobenzo[d]thiazol-2-yl)phenol (HFBTP), is synthesized through condensing 2-mercaptoaniline and 2-hydroxybenzoic acid in 1:1 ratio. Nano-sized bivalent metal complexes are created and subsequently characterized using various physical methods. Based on the elemental analysis results, the complexes are inferred to follow the overall formula [M (FBTBT)<sub>2</sub>] (as M = Cu(II) (S1), Ni(II) (S2), Pd(II) (S3), and Pt(II) (S4) and FBTP = Ligand). Quantum chemical calculations, along with electronic spectra, electron paramagnetic resonance (EPR), cyclic voltammetry (CV), and magnetic susceptibility findings, indicate that all complexes exhibit a square planar configuration. The SEM, EDX, and AFM analyses of the studied complex unveils distinct and strong diffraction peaks, indicating its crystalline nature and providing evidence of its nano-sized particle sizes. The in vitro antimicrobial efficacy of the ligand and metal complexes was inspected against various bacterial and fungal pathogens. Viscosity measurements and UV–visible absorption were used to study the binding interactions of S1–S4 with calf thymus DNA. The DNA cleavage ability of S1–S4 with pUC19 DNA indicates that the complexes can cleave DNA without the use of any external agents. The complexes showed significantly high cytotoxicity against PC3 (prostate cancer cells). Moreover, M(II) complexes exhibited the capability for triggering DNA damage in HePG2 cells, resulting in dose-dependent cell apoptosis. Subsequent investigations revealed that complex triggered cell cycle arrest during the S and G2 phases.</p>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431655","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Saleh Dalia I, Samy F. Mahmoud, Safaa Eldin H. Etaiw
Under ultrasonication, the nanoscale supramolecular complex [Pb (QCA)2]n (NSC1) was formed by the self-assembly of lead nitrate and quinoline-2-carboxylic acid (QCA) as linking ligand. PbII exhibits a (O2N2) distorted square planner geometry, where the PbII atom coordinates to two QCA ligands, according to single crystal X-ray diffraction of 1. With a packing structure of 1, facing molecules are arranged in parallel planes and joined by multiple H-bonds and π-π stacking to form a three-dimensional network. NSC1 was examined using a variety of structural characterization techniques as well as spectrum studies. Despite the well-documented toxicity of lead, which is utilized in various products, the nanoscale supramolecular complex [Pb (QCA)2]n (NSC1) demonstrates considerable safety owing to its stability, remaining unaffected by degradation mediums, as corroborated by different techniques. So, under UV or ultrasonic wave conditions, it has been demonstrated that the heterogeneous catalyst NSC1 exhibits significant catalytic activity in presence of H2O2 against the breakdown of the indicated pollutants, indigo carmine (IC) and phenol (Ph), in very short times. Using the disodium salt of terephthalic acid, the photoluminescence probing method was applied to ascertain the reactive oxygen species and the reaction process mechanism.
{"title":"Catalytic Impact of Nano-Supramolecular Complex Based on Lead and Quinoline-2-Carbxylic Acid Ligand as Efficient Catalyst for Removal of Hazardous Materials From Wastewater","authors":"Saleh Dalia I, Samy F. Mahmoud, Safaa Eldin H. Etaiw","doi":"10.1002/aoc.70047","DOIUrl":"https://doi.org/10.1002/aoc.70047","url":null,"abstract":"<div>\u0000 \u0000 <p>Under ultrasonication, the nanoscale supramolecular complex [Pb (QCA)<sub>2</sub>]<sub>n</sub> (NSC<b>1</b>) was formed by the self-assembly of lead nitrate and quinoline-2-carboxylic acid (QCA) as linking ligand. Pb<sup>II</sup> exhibits a (O<sub>2</sub>N<sub>2</sub>) distorted square planner geometry, where the Pb<sup>II</sup> atom coordinates to two QCA ligands, according to single crystal X-ray diffraction of <b>1</b>. With a packing structure of <b>1</b>, facing molecules are arranged in parallel planes and joined by multiple H-bonds and π-π stacking to form a three-dimensional network. NSC<b>1</b> was examined using a variety of structural characterization techniques as well as spectrum studies. Despite the well-documented toxicity of lead, which is utilized in various products, the nanoscale supramolecular complex [Pb (QCA)2]n (NSC1) demonstrates considerable safety owing to its stability, remaining unaffected by degradation mediums, as corroborated by different techniques<b>.</b> So, under UV or ultrasonic wave conditions, it has been demonstrated that the heterogeneous catalyst NSC<b>1</b> exhibits significant catalytic activity in presence of H<sub>2</sub>O<sub>2</sub> against the breakdown of the indicated pollutants, indigo carmine (IC) and phenol (Ph), in very short times. Using the disodium salt of terephthalic acid, the photoluminescence probing method was applied to ascertain the reactive oxygen species and the reaction process mechanism.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431653","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The composite material featuring a magnetic core-shell structure, designated as Fe3O4@MnO2@polydopamine (PDA), has been synthesized for the purpose of eliminating methylene blue (MB) and malachite green (MG) dyes from aqueous solutions. This composite is characterized by the hydrothermal assembly of densely packed manganese dioxide (MnO2) nanosheets onto Fe3O4 microspheres, resulting in a significant enhancement of the composite's specific surface area. The encapsulated PDA exhibits a significant presence of nitrogen and oxygen elements, which serve as active sites for dye adsorption. At a temperature of 298.15 K, the adsorption capacities for MB and MG are measured at 50.17 and 48.73 mg g−1, respectively. Furthermore, at 308.15 K, the adsorption efficiencies for MB and MG are recorded at 98.55% and 97.84%, respectively. The test results indicate that the adsorption behavior is characterized as chemisorption. Furthermore, it adheres to the pseudo-second-order kinetic model and the Langmuir isotherm model across various temperatures. The overall process is identified as a spontaneous endothermic reaction, with the rate primarily influenced by micropore diffusion and the equilibrium adsorption associated with intraparticle diffusion. Following the desorption treatment, Fe3O4@MnO2@PDA continues to exhibit effective adsorption capabilities for MB and MG dyes, indicating significant practical application potential.
{"title":"Fabrication of Magnetic Core-Shell Fe3O4@MnO2@polydopamine Composite for High-Performance Adsorption of Methylene Blue and Malachite Green in Aqueous Solution","authors":"Peining Zhu, Yong Ma, Yufei Gao","doi":"10.1002/aoc.70058","DOIUrl":"https://doi.org/10.1002/aoc.70058","url":null,"abstract":"<div>\u0000 \u0000 <p>The composite material featuring a magnetic core-shell structure, designated as Fe<sub>3</sub>O<sub>4</sub>@MnO<sub>2</sub>@polydopamine (PDA), has been synthesized for the purpose of eliminating methylene blue (MB) and malachite green (MG) dyes from aqueous solutions. This composite is characterized by the hydrothermal assembly of densely packed manganese dioxide (MnO<sub>2</sub>) nanosheets onto Fe<sub>3</sub>O<sub>4</sub> microspheres, resulting in a significant enhancement of the composite's specific surface area. The encapsulated PDA exhibits a significant presence of nitrogen and oxygen elements, which serve as active sites for dye adsorption. At a temperature of 298.15 K, the adsorption capacities for MB and MG are measured at 50.17 and 48.73 mg g<sup>−1</sup>, respectively. Furthermore, at 308.15 K, the adsorption efficiencies for MB and MG are recorded at 98.55% and 97.84%, respectively. The test results indicate that the adsorption behavior is characterized as chemisorption. Furthermore, it adheres to the pseudo-second-order kinetic model and the Langmuir isotherm model across various temperatures. The overall process is identified as a spontaneous endothermic reaction, with the rate primarily influenced by micropore diffusion and the equilibrium adsorption associated with intraparticle diffusion. Following the desorption treatment, Fe<sub>3</sub>O<sub>4</sub>@MnO<sub>2</sub>@PDA continues to exhibit effective adsorption capabilities for MB and MG dyes, indicating significant practical application potential.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431654","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mohamed Bouzidi, Abdullah A. Alatawi, Naim Bel Haj Mohamed, Abdullah S. Alshammari, Mansour Mohamed, Ziaul R. Khan, Abdallah Ben Rhaiem
The CdSe nanocrystals were synthesized in an aqueous medium containing mercaptosuccinic acid (MSA). The X-ray diffraction study verifies that CdSe-MSA has a cubic phase. Scanning electron microscopy (SEM) images show an array of approximately spherical nanoparticles with very small sizes. The electrical and dielectric properties of these nanocrystals were studied using the complex impedance method. By analyzing Nyquist diagrams, we derived the equivalent circuit consisting of R//C//CPE for temperaturesT ≤ 413 K, with a Warburg element appearing for T > 413 K, confirming the diffusion of MSA on the surface of the nanocrystals. The relaxation time (τ) was deduced by analyzing the spectra of M" using the Bergman equation, which is defined by an activation energy (Ea) of 0.743 eV. The conductivity follows Jonscher's power law, with DC conductivity (σDC) increasing in phase I (T ≤ 413 K) and decreasing in phase II (T > 413 K). The variation of s as a function of temperature shows that the conductivity adheres to the single CBH model in the semiconductor domain. It is observed that the hopping distance (RW) decreases with temperature and frequency, which explains the increase in charge carriers and the rise in conductivity in this temperature range.
{"title":"Study of Charge Transfer Mechanism and Dielectric Relaxation of CdSe-MSA Nanocrystals","authors":"Mohamed Bouzidi, Abdullah A. Alatawi, Naim Bel Haj Mohamed, Abdullah S. Alshammari, Mansour Mohamed, Ziaul R. Khan, Abdallah Ben Rhaiem","doi":"10.1002/aoc.70042","DOIUrl":"https://doi.org/10.1002/aoc.70042","url":null,"abstract":"<div>\u0000 \u0000 <p>The CdSe nanocrystals were synthesized in an aqueous medium containing mercaptosuccinic acid (MSA). The X-ray diffraction study verifies that CdSe-MSA has a cubic phase. Scanning electron microscopy (SEM) images show an array of approximately spherical nanoparticles with very small sizes. The electrical and dielectric properties of these nanocrystals were studied using the complex impedance method. By analyzing Nyquist diagrams, we derived the equivalent circuit consisting of R//C//CPE for temperaturesT ≤ 413 K, with a Warburg element appearing for T > 413 K, confirming the diffusion of MSA on the surface of the nanocrystals. The relaxation time (τ) was deduced by analyzing the spectra of M\" using the Bergman equation, which is defined by an activation energy (Ea) of 0.743 eV. The conductivity follows Jonscher's power law, with DC conductivity (σ<sub>DC</sub>) increasing in phase I (T ≤ 413 K) and decreasing in phase II (T > 413 K). The variation of <b>s</b> as a function of temperature shows that the conductivity adheres to the single CBH model in the semiconductor domain. It is observed that the hopping distance (R<sub>W</sub>) decreases with temperature and frequency, which explains the increase in charge carriers and the rise in conductivity in this temperature range.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Soumaya Agren, Jamal El Haskouri, Emmanuel Beyou, Mohamed Hassen V. Baouab
We report the synthesis, structural, thermal, and photophysical properties of six boranils ((A-F)-BF2). Compounds (A-C)-BF2 were synthesized at low temperature, while nitro and pyridine derivatives were obtained at 80°C with yields up to 66%. Tert-butyl and chloro-substituted boranils showed thermal stability up to 300 °C. All boranils were fluorescent, with properties tuned by phenyl substitution and boron difluoride complexation. The lowest energetic gap (2.210 eV) was found in (D-BF2), which exhibited a remarkable red-shift in absorption and emission due to charge transfer between donor and acceptor groups. This work is part of ongoing studies on metal cation detection and photocatalysis.
{"title":"New Methods for the Synthesis of Highly Fluorescently Substituted Heterocyclic Boranils: Structural Identification and Photophysical Properties","authors":"Soumaya Agren, Jamal El Haskouri, Emmanuel Beyou, Mohamed Hassen V. Baouab","doi":"10.1002/aoc.70064","DOIUrl":"https://doi.org/10.1002/aoc.70064","url":null,"abstract":"<p>We report the synthesis, structural, thermal, and photophysical properties of six boranils ((A-F)-BF2). Compounds (A-C)-BF2 were synthesized at low temperature, while nitro and pyridine derivatives were obtained at 80°C with yields up to 66%. Tert-butyl and chloro-substituted boranils showed thermal stability up to 300 °C. All boranils were fluorescent, with properties tuned by phenyl substitution and boron difluoride complexation. The lowest energetic gap (2.210 eV) was found in (D-BF2), which exhibited a remarkable red-shift in absorption and emission due to charge transfer between donor and acceptor groups. This work is part of ongoing studies on metal cation detection and photocatalysis.</p>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/aoc.70064","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431656","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Inam Omar, Mona M. A. Alharas, Mehran Feizi-Dehnayebi, Sultan K. Alharbi, Hala M. Abo-Dief, Hamza A. Qasem, Rafat M. El-Khatib, Ahmed M. Abu-Dief
<div> <p>The synthesis of 4-Bromo-2-({2-[(5-bromo-2-hydroxy-benzylidene)-amino]-5-nitro-phenylimino}-methyl)-phenol (BSNP ligand), a straightforward, highly adjustable, and efficient BSNP ligand, was demonstrated. Four novel BSNP ligand coordinating compounds were created. The structures of these compounds were clarified by a variety of spectroscopic and analytical techniques, such as elemental analysis (CHN), spectroscopy (IR, NMR, mass spectrometry), conductivity, magnetic susceptibility, UV–Vis spectrum studies, and theoretical investigations. Additional analysis of the compounds showed that they were surrounded by an octahedral-coordinating environment. With conductance values ranging from 0.9.60 to 11.87 Ω<sup>−1</sup> cm<sup>2</sup> mol<sup>−1</sup>, molar conductance values showed that the Fe (III), Zn (II), Cu (II), and Ru (III) complexes are non-electrolytes in fresh DMSO solutions, with the exception of the BSNPRu complex, which is mono electrolyte. According to IR spectra, the ligand uses the (N and O) donor sites from the (C=N and C-O) groups in the ligand moiety to coordinate through the metal ions in a tetra-dentate form. A 1:1 (metal:ligand) molar ratio was proposed by Job's approach based on analytical data from solution complexation. According to the stability constant (<i>K</i><sub><i>f</i></sub>) values, the complexes' stability order was found to be BSNPFe > BSNPRu > BSNPCu > BSNPZn. The pH profile showed that the complexes under study are stable throughout a broad pH range, usually between pH = 4 and pH = 10. The complexes' geometric structures and ligand coordination capabilities were inferred with the use of magnetic and electronic spectrum studies. To gain deeper insights into the reactivity and potential biological activity of the synthesized metal complexes, DFT calculations were performed. The computational analysis was carried out using the DFT/B3LYP/6-311g (d,p)/LANL2DZ level in the gas phase in order to explore the active sites and quantum chemical reactivity of the compounds. Building on the encouraging results from our in-vitro analyses, which demonstrated notable antimicrobial, antifungal, and anticancer properties of the synthesized metal complexes, molecular docking simulations were subsequently performed to further substantiate these promising biological activities. The anti-pathogenic activity of the generated materials was experimentally verified against a subset of gram (+) and gram (−) bacteria as well as some fungi using the agar well diffusion method. Additionally, the BSPN ligand's and its metal compounds' cytotoxic action on liver cells, breast, and colon cancers was investigated. Furthermore, the examined compounds' ability to suppress the DPPH radical was examined. Additionally, simulations of molecular landing were performed to ascertain how the produced compounds attached to the specific protein binding sites. Some novel metal chelates incorporating 4-Bromo-2-({2-[(5-brom
{"title":"Design, Synthesis, Physico-Chemical Characterization, Stability Determination, and Biomedical Applications of Some Novel Tetra-Dentate Imine Metal Chelates Supported by Theoretical Approaches: Bridging Coordination Chemistry and Life Sciences","authors":"Inam Omar, Mona M. A. Alharas, Mehran Feizi-Dehnayebi, Sultan K. Alharbi, Hala M. Abo-Dief, Hamza A. Qasem, Rafat M. El-Khatib, Ahmed M. Abu-Dief","doi":"10.1002/aoc.70056","DOIUrl":"https://doi.org/10.1002/aoc.70056","url":null,"abstract":"<div>\u0000 \u0000 <p>The synthesis of 4-Bromo-2-({2-[(5-bromo-2-hydroxy-benzylidene)-amino]-5-nitro-phenylimino}-methyl)-phenol (BSNP ligand), a straightforward, highly adjustable, and efficient BSNP ligand, was demonstrated. Four novel BSNP ligand coordinating compounds were created. The structures of these compounds were clarified by a variety of spectroscopic and analytical techniques, such as elemental analysis (CHN), spectroscopy (IR, NMR, mass spectrometry), conductivity, magnetic susceptibility, UV–Vis spectrum studies, and theoretical investigations. Additional analysis of the compounds showed that they were surrounded by an octahedral-coordinating environment. With conductance values ranging from 0.9.60 to 11.87 Ω<sup>−1</sup> cm<sup>2</sup> mol<sup>−1</sup>, molar conductance values showed that the Fe (III), Zn (II), Cu (II), and Ru (III) complexes are non-electrolytes in fresh DMSO solutions, with the exception of the BSNPRu complex, which is mono electrolyte. According to IR spectra, the ligand uses the (N and O) donor sites from the (C=N and C-O) groups in the ligand moiety to coordinate through the metal ions in a tetra-dentate form. A 1:1 (metal:ligand) molar ratio was proposed by Job's approach based on analytical data from solution complexation. According to the stability constant (<i>K</i><sub><i>f</i></sub>) values, the complexes' stability order was found to be BSNPFe > BSNPRu > BSNPCu > BSNPZn. The pH profile showed that the complexes under study are stable throughout a broad pH range, usually between pH = 4 and pH = 10. The complexes' geometric structures and ligand coordination capabilities were inferred with the use of magnetic and electronic spectrum studies. To gain deeper insights into the reactivity and potential biological activity of the synthesized metal complexes, DFT calculations were performed. The computational analysis was carried out using the DFT/B3LYP/6-311g (d,p)/LANL2DZ level in the gas phase in order to explore the active sites and quantum chemical reactivity of the compounds. Building on the encouraging results from our in-vitro analyses, which demonstrated notable antimicrobial, antifungal, and anticancer properties of the synthesized metal complexes, molecular docking simulations were subsequently performed to further substantiate these promising biological activities. The anti-pathogenic activity of the generated materials was experimentally verified against a subset of gram (+) and gram (−) bacteria as well as some fungi using the agar well diffusion method. Additionally, the BSPN ligand's and its metal compounds' cytotoxic action on liver cells, breast, and colon cancers was investigated. Furthermore, the examined compounds' ability to suppress the DPPH radical was examined. Additionally, simulations of molecular landing were performed to ascertain how the produced compounds attached to the specific protein binding sites. Some novel metal chelates incorporating 4-Bromo-2-({2-[(5-brom","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431361","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Wei Liu, Junjun Sun, Wei Yao, Vladimir P. Fedin, Enjun Gao
Two transition metal complexes (complex 1 = {[Cd (DCPP)·(H2O)]·(DMF)}n and complex 2 = {[Ni (DCPP)·(H2O)]·(DMF)}n) with the same structure and different functions were synthesized based on 2,6-bis(4′-carboxybenzene)pyrazine ligand (H2DCPP) by solvothermal method, and their structure and properties were analyzed and characterized by a variety of characterization methods. Complex 1 was used as a fluorescence sensor to recognize cations and anions in water; it had excellent recognition and anti-interference ability with Fe3+ and Cr2O72− among cations and anions. Complex 2 (2-CPE) was used as electrochemical material to perform electrochemical tests on hydrogen peroxide and sodium nitrite with good electrocatalytic effect. This work provides a synthesis strategy for fluorescence and electrochemical sensing materials, respectively.
{"title":"Preparation and Properties of Cd/Ni Complexes Based on 2,6-Bis(4′-carboxyl-phenyl)pyrazine Ligand","authors":"Wei Liu, Junjun Sun, Wei Yao, Vladimir P. Fedin, Enjun Gao","doi":"10.1002/aoc.70051","DOIUrl":"https://doi.org/10.1002/aoc.70051","url":null,"abstract":"<div>\u0000 \u0000 <p>Two transition metal complexes (complex <b>1</b> = {[Cd (DCPP)·(H<sub>2</sub>O)]·(DMF)}<sub>n</sub> and complex <b>2</b> = {[Ni (DCPP)·(H<sub>2</sub>O)]·(DMF)}<sub>n</sub>) with the same structure and different functions were synthesized based on 2,6-bis(4′-carboxybenzene)pyrazine ligand (H<sub>2</sub>DCPP) by solvothermal method, and their structure and properties were analyzed and characterized by a variety of characterization methods. Complex <b>1</b> was used as a fluorescence sensor to recognize cations and anions in water; it had excellent recognition and anti-interference ability with Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2−</sup> among cations and anions. Complex <b>2</b> (<b>2</b>-CPE) was used as electrochemical material to perform electrochemical tests on hydrogen peroxide and sodium nitrite with good electrocatalytic effect. This work provides a synthesis strategy for fluorescence and electrochemical sensing materials, respectively.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431363","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The inability to recycle Fenton reagents and a narrow pH range restricts hematite (Fe2O3) application in the actual photo-Fenton system. The engineering of surface structures is identified as an effective approach for enhancing the photo-Fenton activity of the material. In this work, three different morphologies (nanosheet, cube, and ring) Fe2O3 materials containing oxygen vacancies (OVs) were synthesized by hydrothermal method, and a novel system for the photo-Fenton degradation of sulfamethazine was examined. In the presence of oxalic acid, the Fe2O3/oxalic acid heterogeneous catalytic system demonstrated the in situ generation of H2O2 and facilitated Fenton-like reactions. The as-prepared nanosheet-Fe2O3 showed the highest photo-Fenton degradation efficiency. The free radical capture experiment was investigated by using different free radical sacrificial agents, and the results suggested that superoxide radicals were the principal active species involved. Ecotoxicity assessments utilizing toxicity prediction software assessed the reaction intermediates generated during sulfamethazine degradation via a quantitative structure–activity relationship method, indicating that these intermediates exhibited reduced developmental toxicity. The possible pathways of sulfamethazine degradation and mechanism for synergistic degradation sulfamethazine effect between Fe2O3 and oxalic acid were proposed. This research presents an effective strategy for the design and synthesis of Fe2O3 photocatalysts with various morphologies and oxygen vacancies, suitable for application in photo-Fenton catalysis and related environmental contexts.
{"title":"Efficient Removal of Emerging Contaminant Sulfamethazine in Water by Fe2O3: Roles of Morphological Features and Oxygen Vacancies","authors":"Guangyu Wu, Geng Li, Jingyi Wang, Shilin Shi, Simeng Guo, Yuwei Pan, Ying Zhang, Jiangang Han, Weinan Xing","doi":"10.1002/aoc.70062","DOIUrl":"https://doi.org/10.1002/aoc.70062","url":null,"abstract":"<div>\u0000 \u0000 <p>The inability to recycle Fenton reagents and a narrow pH range restricts hematite (Fe<sub>2</sub>O<sub>3</sub>) application in the actual photo-Fenton system. The engineering of surface structures is identified as an effective approach for enhancing the photo-Fenton activity of the material. In this work, three different morphologies (nanosheet, cube, and ring) Fe<sub>2</sub>O<sub>3</sub> materials containing oxygen vacancies (OVs) were synthesized by hydrothermal method, and a novel system for the photo-Fenton degradation of sulfamethazine was examined. In the presence of oxalic acid, the Fe<sub>2</sub>O<sub>3</sub>/oxalic acid heterogeneous catalytic system demonstrated the in situ generation of H<sub>2</sub>O<sub>2</sub> and facilitated Fenton-like reactions. The as-prepared nanosheet-Fe<sub>2</sub>O<sub>3</sub> showed the highest photo-Fenton degradation efficiency. The free radical capture experiment was investigated by using different free radical sacrificial agents, and the results suggested that superoxide radicals were the principal active species involved. Ecotoxicity assessments utilizing toxicity prediction software assessed the reaction intermediates generated during sulfamethazine degradation via a quantitative structure–activity relationship method, indicating that these intermediates exhibited reduced developmental toxicity. The possible pathways of sulfamethazine degradation and mechanism for synergistic degradation sulfamethazine effect between Fe<sub>2</sub>O<sub>3</sub> and oxalic acid were proposed. This research presents an effective strategy for the design and synthesis of Fe<sub>2</sub>O<sub>3</sub> photocatalysts with various morphologies and oxygen vacancies, suitable for application in photo-Fenton catalysis and related environmental contexts.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143423899","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This study synthesized 1,2,4-triazines, a novel class of derivatives, with a high efficiency using a multicomponent reaction. The reaction involved oxoindolinylidene malononitrile, ethyl 2-arylamino-4-dioxo-4-arylbutanoates, and hydrazonoyl chlorides in an aqueous solution at room temperature. The reaction was facilitated by the presence of Ag/Fe3O4@MWCNTs MNCs. This study examines the antioxidant properties of 1,2,4-triazine in addition to the other research undertaken in this work. Using the MTT test, the cytotoxic properties of all the produced compounds were assessed in vitro against cancer cell lines (MCF-7 and A549) and normal cell lines (BEAS-2B). It was discovered that the most effective cytotoxic agent, doxorubicin like in its lack of selectivity, was Derivative 4e. On the other hand, Compound 4b might be regarded as an equipotent molecule with greater selectivity in relation to doxorubicin. The production process of 1,2,4-triazine demonstrated several advantageous features, including rapid reactions, high yields of the final product, and straightforward separation of the catalyst and product from the reaction mixture.
{"title":"Highly Efficient Ag/Fe3O4@MWCNTs MNCs Catalyzed Green Synthesis of New Derivatives of 1,2,4-Triazine: The Cytotoxic Activity Investigation of 1,2,4-Triazines","authors":"Nasir Iravani, Khatereh Khandan Barani, Majid Moradian, Zinatossadat Hossaini","doi":"10.1002/aoc.70012","DOIUrl":"https://doi.org/10.1002/aoc.70012","url":null,"abstract":"<div>\u0000 \u0000 <p>This study synthesized 1,2,4-triazines, a novel class of derivatives, with a high efficiency using a multicomponent reaction. The reaction involved oxoindolinylidene malononitrile, ethyl 2-arylamino-4-dioxo-4-arylbutanoates, and hydrazonoyl chlorides in an aqueous solution at room temperature. The reaction was facilitated by the presence of Ag/Fe<sub>3</sub>O<sub>4</sub>@MWCNTs MNCs. This study examines the antioxidant properties of 1,2,4-triazine in addition to the other research undertaken in this work. Using the MTT test, the cytotoxic properties of all the produced compounds were assessed in vitro against cancer cell lines (MCF-7 and A549) and normal cell lines (BEAS-2B). It was discovered that the most effective cytotoxic agent, doxorubicin like in its lack of selectivity, was Derivative <b>4e</b>. On the other hand, Compound <b>4b</b> might be regarded as an equipotent molecule with greater selectivity in relation to doxorubicin. The production process of 1,2,4-triazine demonstrated several advantageous features, including rapid reactions, high yields of the final product, and straightforward separation of the catalyst and product from the reaction mixture.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143423895","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}