Applied Organometallic Chemistry最新文献

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Comprehensive Study on Synthesis, Quantum Chemical Calculations, Molecular Modeling Studies, and Cytotoxic Activities of Metal(II) Schiff Base Complexes
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2025-02-05 DOI: 10.1002/aoc.70034
Hatice Gamze Sogukomerogullari, Bülent Dede, Dicle Sahin, Senem Akkoç
{"title":"Comprehensive Study on Synthesis, Quantum Chemical Calculations, Molecular Modeling Studies, and Cytotoxic Activities of Metal(II) Schiff Base Complexes","authors":"Hatice Gamze Sogukomerogullari,&nbsp;Bülent Dede,&nbsp;Dicle Sahin,&nbsp;Senem Akkoç","doi":"10.1002/aoc.70034","DOIUrl":"https://doi.org/10.1002/aoc.70034","url":null,"abstract":"<p>In this study, mononuclear Ni(II), Cu(II), Zn(II), and Pd(II) complexes of a diimine molecule (H<sub>2</sub>L) were synthesized, and their structures were elucidated by NMR, FT-IR, UV–Vis, ICP-OES, molar conductivity, magnetic susceptibility, and elemental analysis techniques. Stoichiometric and spectroscopic data revealed that the complexes have a metal:ligand ratio of 1:1 and the Schiff base coordinates with the metal(II) ion via nitrogen atoms of two imine groups and oxygen anions of two phenolate moieties and have a square planar geometry. The cytotoxic activity properties of the ligand and its metal complexes were screened in two distinct cancer cell lines: lung (A549) and colon (DLD-1). The optimized molecular geometries, molecular electrostatic potential diagrams, total density of states plots, and frontier molecular orbitals of the H<sub>2</sub>L ligand and all metal(II) complexes at the ground level were calculated using density functional theory. The LANL2DZ basis set containing the effective core potentials for transition metals was used for quantum chemical calculations. The calculations supported the square planar geometry of the metal(II) ions in the complexes. The potential of all molecules to inhibit the MLK4 kinase domain (PDB ID: 4UYA) involved in cancer progression was examined by molecular docking study and the best inhibition activity belonged to the H<sub>2</sub>L molecule with a binding energy of −10.8 kcal/mol. The stability of the H<sub>2</sub>L–4UYA complex in physiological media was also confirmed by molecular dynamics simulation for 100 ns.</p>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/aoc.70034","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143248801","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}
引用次数: 0
Synthesis, Characterization, Cytotoxicity, Biological Evaluation, DFT Calculations, and Molecular Docking of a Novel Schiff Base and Its Pt(IV) Complex
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2025-02-05 DOI: 10.1002/aoc.70046
Rehab Abdul Mahdi Al-Hassani, Ali J. Al-Sarray
{"title":"Synthesis, Characterization, Cytotoxicity, Biological Evaluation, DFT Calculations, and Molecular Docking of a Novel Schiff Base and Its Pt(IV) Complex","authors":"Rehab Abdul Mahdi Al-Hassani,&nbsp;Ali J. Al-Sarray","doi":"10.1002/aoc.70046","DOIUrl":"https://doi.org/10.1002/aoc.70046","url":null,"abstract":"<div>\u0000 \u0000 <p>A novel Schiff base ligand derived from 1,2,4-triazole-3-thione was synthesized and complexed with platinum (IV) ion to enhance its bioactivity. Characterization techniques, including FTIR, NMR, UV-Vis, and mass spectrometry, confirmed the formation of Schiff base molecule and revealed that its Pt(IV) complex has an octahedral geometry. The antibacterial and antifungal activity of the synthesized compounds was evaluated against <i>Staphylococcus epidermidis</i>, <i>Pseudomonas aeruginosa</i>, <i>Candida albicans</i>, and <i>Aspergillus flavus</i>, with the metal complex outperforming the ligand. The antioxidant properties were evaluated using a DPPH assay, with the Pt(IV) complex demonstrating superior radical-scavenging ability. Cytotoxicity studies via MTT assays on MCF-7 breast cancer cells showed dose-dependent reductions in cell viability, with the Pt(IV) complex inducing enhanced antiproliferative effects compared with the ligand. DFT calculations were performed to investigate the electronic properties of the compounds, and molecular docking studies were conducted against the alpha estrogen receptor (PDB ID: 3ERT) to predict their binding affinities. The results demonstrated that the Pt(IV) complex exhibited higher biological activity than the free ligand, suggesting its potential as an effective therapeutic agent.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143248804","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}
引用次数: 0
In Situ Growth of Iron-Based MOFs on Carboxylated Cotton Fabrics for Removal of Rhodamine B by Photocatalysis
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2025-02-05 DOI: 10.1002/aoc.70023
Xinpeng Chen, Jiabao Wu, Runshan Chu, Lili Xing, Yurong Sun, Jiapeng Wang, Guoqiang Chen, Tieling Xing
{"title":"In Situ Growth of Iron-Based MOFs on Carboxylated Cotton Fabrics for Removal of Rhodamine B by Photocatalysis","authors":"Xinpeng Chen,&nbsp;Jiabao Wu,&nbsp;Runshan Chu,&nbsp;Lili Xing,&nbsp;Yurong Sun,&nbsp;Jiapeng Wang,&nbsp;Guoqiang Chen,&nbsp;Tieling Xing","doi":"10.1002/aoc.70023","DOIUrl":"https://doi.org/10.1002/aoc.70023","url":null,"abstract":"<div>\u0000 \u0000 <p>There are tremendous potential in utilizing metal–organic frameworks (MOFs) for enhancing the removal of organic dyes from wastewater. However, the recovery of powdered catalysts poses a significant challenge. In this study, four different iron-based metal–organic frameworks (Fe-MOFs) were synthesized by growing them in situ on carboxylated cotton fabrics. Scanning electron microscopy (SEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) were employed to conduct a comprehensive characterization of the Fe-MOFs. The dye removal rate of Fe-MOF@Cotton was meticulously determined by comprehensively investigating various factors including the concentration of the dye and hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>), the pH value of the solution, and the temperature. Extensive catalytic degradation experiments were conducted to assess the performance of Fe-MOF@Cotton. The results vividly demonstrated that Rhodamine B (RhB) was photocatalytically degraded by Fe-MOF@Cotton with remarkable efficiency in the presence of H<sub>2</sub>O<sub>2</sub>. Notably, the four MOF fabric composites were capable of degrading over 97% of RhB with a concentration of 20 mg/L. Moreover, these composites exhibited excellent reusability, strongly indicating their significant potential for application in the dye wastewater treatment industry. This not only highlights the effectiveness of Fe-MOF@Cotton in dye removal but also offers a promising avenue for addressing the challenges associated with dye-contaminated wastewater treatment.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143248500","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}
引用次数: 0
A New Cu (II) Complex With 1,3-Dimethyl-5-Acetyl-Barbituric Acid: Synthesis, Crystal Structure, DNA/BSA Binding Activities, ADME Predictions, and Anticancer Activities
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2025-02-05 DOI: 10.1002/aoc.70006
Tolga Göktürk
{"title":"A New Cu (II) Complex With 1,3-Dimethyl-5-Acetyl-Barbituric Acid: Synthesis, Crystal Structure, DNA/BSA Binding Activities, ADME Predictions, and Anticancer Activities","authors":"Tolga Göktürk","doi":"10.1002/aoc.70006","DOIUrl":"https://doi.org/10.1002/aoc.70006","url":null,"abstract":"<p>A new Cu (II) complex with 1,3-dimethyl-5-acetyl-barbituric acid was synthesized and characterized using elemental analysis, magnetic moment measurements, FTIR, and X-ray diffraction. Structural analysis revealed that the Cu (II) complex belongs to the triclinic system with the <i>P -1</i> space group. The copper (II) ion is penta-coordinated via five oxygen atoms in a slightly distorted square-pyramidal geometry. Hirshfeld surface analysis confirmed the role of H-atom contacts in establishing the crystal packing, with the most significant contributions arising from H … H (48.6%) and H … O/O … H (30.2%) interactions. Hydrogen bonding and van der Waals interactions were identified as the dominant forces in the crystal packing. DNA binding studies demonstrated moderate groove binding, with an intrinsic binding constant (<i>K</i><sub>b</sub>) of 1.00 × 10<sup>4</sup> M<sup>−1</sup>. Viscosity measurements further supported the groove-binding interaction. Additionally, fluorescence quenching experiments with bovine serum albumin (BSA) revealed a static quenching mechanism with a binding constant (<i>K</i><sub>bin</sub>) of 3.21 × 10<sup>4</sup> M<sup>−1</sup> indicating stable complex formation. The in vitro cytotoxicity of the Cu (II) complex revealed IC₅₀ values of 5.67 ± 0.07 μM for MDA-MB-231, 9.56 ± 0.24 μM for Caco-2, and 37.92 ± 0.03 μM for LNCaP cells after 72 h, with reduced toxicity toward noncancerous HEK-293 cells (IC₅₀ = 41.36 μM). The high selectivity index (SI = 8.13) for MDA-MB-231 highlights its strong selectivity compared to cisplatin. In silico ADME (absorption, distribution, metabolism, and excretion) predictions suggested favorable pharmacokinetic properties, including moderate solubility and low potential for drug–drug interactions, supporting the complex's potential as a therapeutic agent.</p>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/aoc.70006","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143248501","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}
引用次数: 0
A Multi-methodological Evaluation of Transition Metal-Nitro Schiff Base Complexes: From Computational Predictions to Biological Testing
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2025-02-05 DOI: 10.1002/aoc.70028
Samuel Michael, Vellaichamy Muniyandi, Porkodi Jeyaraman, Jacqulin Veda Jancy, Natarajan Raman
{"title":"A Multi-methodological Evaluation of Transition Metal-Nitro Schiff Base Complexes: From Computational Predictions to Biological Testing","authors":"Samuel Michael,&nbsp;Vellaichamy Muniyandi,&nbsp;Porkodi Jeyaraman,&nbsp;Jacqulin Veda Jancy,&nbsp;Natarajan Raman","doi":"10.1002/aoc.70028","DOIUrl":"https://doi.org/10.1002/aoc.70028","url":null,"abstract":"<div>\u0000 \u0000 <p>A new nitrobenzothiazole incorporated Schiff base ligand, (E)-1-(4-chlorophenyl)-N-(6-nitrobenzo[d]thiazol-2-yl)methanimine (formed by the condensation reaction of 4-chlorobenzaldehyde and 2-amino-6-nitrobenzothiazole), has been created to explore its biological activity. Using this ligand, a few transition metal(II) complexes have been fabricated in order to find out the biological effect due to chelation. These complexes were characterized using standard analytical and spectroscopic methods, which established the presence of imine group and octahedral geometry of the metal complexes. The quantum mechanical computation for these complexes has been carried out in addition to optimized geometry and DFT calculations applying Gaussian 09 W software. Additionally, a molecular docking investigation for 3v03 bovine serum albumin enzyme receptor has been done. The metal complexes and Schiff base ligand have strong interactions with protein receptors. There is a strong tendency for all metal complexes to bind to CT DNA through the intercalation pathway. In vitro and in vivo screening tests expose that the complexes are more active than the free Schiff base.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143248503","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}
引用次数: 0
Multifunctional Novel Lanthanide Complexes Based on Chromone Moiety for Corrosion Inhibition, Molecular Docking, and Anticancer and Antimicrobial Applications
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2025-02-05 DOI: 10.1002/aoc.70009
N. S. Abdelshafi, Ahmed A. Farag, Amira A. M. Ali, Akila A. Saleh, Ahmed A. Zaher, R. Fouad
{"title":"Multifunctional Novel Lanthanide Complexes Based on Chromone Moiety for Corrosion Inhibition, Molecular Docking, and Anticancer and Antimicrobial Applications","authors":"N. S. Abdelshafi,&nbsp;Ahmed A. Farag,&nbsp;Amira A. M. Ali,&nbsp;Akila A. Saleh,&nbsp;Ahmed A. Zaher,&nbsp;R. Fouad","doi":"10.1002/aoc.70009","DOIUrl":"https://doi.org/10.1002/aoc.70009","url":null,"abstract":"<div>\u0000 \u0000 <p>Two novel multifunctional complexes [M(CCAM)<sub>2</sub>(NO<sub>3</sub>)](NO<sub>3</sub>)<sub>2</sub>·C<sub>2</sub>H<sub>5</sub>OH (M = Dy (III)/Er (III); CCAM = 2-cyano-<i>N</i>′-((4-oxo-4H-chromen-3-yl)methylene)acetohydrazide) were synthesized and characterized via elemental and thermal analyses, molar conductivity, UV–vis., and FT-IR spectroscopy, revealing a 1:2 metal-to-ligand stoichiometry. The CCAM ligand coordinated with Dy(III) or Er(III) ions through nitrogen of azomethine and oxygen of the carbonyl and γ-pyran groups. Corrosion inhibition studies for Dy(CCAM), Er(CCAM), and CCAM on carbon steel (C-steel) in 1-M HCl showed Dy(CCAM) and Er(CCAM) as highly efficient, with Er(CCAM) offering the best protection. In a 1-M HCl solution, Fe<sup>2+</sup> at the C-steel surface interacts with the CCAM, Dy(CCAM), and Er(CCAM) compounds, as demonstrated by UV–vis spectroscopy. At a concentration of 10<sup>−3</sup> M, the Dy(CCAM) and Er(CCAM) compounds showed greater performance efficiency in the weight loss test in 1-M HCl solution, reaching 93.34% and 95.67%, respectively. The Langmuir adsorption isotherm pronounced the mixed adsorption mechanisms. The surface characteristics SEM, EDX, AFM, and contact angle measurements confirmed surface shielding. In vitro antibacterial and antifungal activity of the prepared compounds against organisms, including <i>Escherichia coli</i>, <i>Pseudomonas aeruginosa</i>, <i>Staphylococcus aureus</i>, and <i>Bacillus</i> <i>subtilis</i> as bacteria, and <i>Candida albicans</i> and <i>A</i><i>spergillus fumigatus</i> as fungi is carried out. Er(CCAM) inhibitor exhibits the greatest action against different tested antimicrobials. Additionally, the in vitro cytotoxicity of the produced complexes as growth inhibitory effects against <i>Erlish Acities Carcinoma</i> was ascertained. Er(CCAM) and Dy(CCAM) were found to have cytotoxic levels with (IC<sub>50</sub> of 64 and 65 μM), respectively. As a result, Er(CCAM) inhibitor is a more effective therapeutic approach for the creation of novel antimicrobial and antitumor agents. For Er(CCAM) superior corrosion protection, the theoretical studies of molecular docking and DFT and MD simulations validated the experimental results.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143248807","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}
引用次数: 0
A Cubic Heptanuclear Cobalt(II) Bis(Salamo)-Type Cluster: Structural, Spectroscopic, and Computational Studies
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2025-02-05 DOI: 10.1002/aoc.70014
Li-Ping Na, Le-Le Liu, Rui Chen, Hao-Ying Niu, Chen Chen, Li Wang, Wen-Kui Dong
{"title":"A Cubic Heptanuclear Cobalt(II) Bis(Salamo)-Type Cluster: Structural, Spectroscopic, and Computational Studies","authors":"Li-Ping Na,&nbsp;Le-Le Liu,&nbsp;Rui Chen,&nbsp;Hao-Ying Niu,&nbsp;Chen Chen,&nbsp;Li Wang,&nbsp;Wen-Kui Dong","doi":"10.1002/aoc.70014","DOIUrl":"https://doi.org/10.1002/aoc.70014","url":null,"abstract":"<div>\u0000 \u0000 <p>A cube-like heptanuclear cobalt(II) cluster single crystals, namely, [Co<sub>7</sub>(L)<sub>2</sub>(<i>μ</i><sub>3</sub>-OCH<sub>3</sub>)<sub>2</sub>(<i>μ</i><sub>3</sub>-OH)<sub>4</sub>](ClO<sub>4</sub>)<sub>2</sub>, was successfully grown up by reacting of a bis(salamo)-type ligand H<sub>3</sub>L containing two N<sub>2</sub>O<sub>2</sub> coordination cavities with Co(NO<sub>3</sub>)<sub>2</sub>·6H<sub>2</sub>O using natural volatilization method. Single-crystal analysis displayed that the cobalt(II) cluster is a heptanuclear cobalt(II) cluster. In this paper, the UV–Vis absorption and fluorescence spectra of H<sub>3</sub>L and its cobalt(II) cluster have been investigated. Through Hirshfeld surface analyses, the intermolecular interactions on the molecular surfaces are visually presented, and the contributions of each interaction to the intermolecular surface interactions are quantified by two-dimensional fingerprints. DFT calculation and MEP analyses have been used to investigate the electronic structures and coordination sites of the cobalt(II) cluster.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143248805","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}
引用次数: 0
Investigation of the Therapeutic Contribution of the Nanoconjugated Form Using Sono-Photochemical Application; Novel Indium Phthalocyanine and Its Cystein-Functionalized Graphene Quantum Dot Derivative
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2025-02-05 DOI: 10.1002/aoc.70007
Kevser Celep, Gökçe Gökçil, Pınar Şen, Fikrettin Şahin, Ali Erdoğmuş, Göknur Yaşa Atmaca
{"title":"Investigation of the Therapeutic Contribution of the Nanoconjugated Form Using Sono-Photochemical Application; Novel Indium Phthalocyanine and Its Cystein-Functionalized Graphene Quantum Dot Derivative","authors":"Kevser Celep,&nbsp;Gökçe Gökçil,&nbsp;Pınar Şen,&nbsp;Fikrettin Şahin,&nbsp;Ali Erdoğmuş,&nbsp;Göknur Yaşa Atmaca","doi":"10.1002/aoc.70007","DOIUrl":"https://doi.org/10.1002/aoc.70007","url":null,"abstract":"<p>This study aimed to synthesize sensitizer molecules with high therapeutic efficacy using a new indium phthalocyanine (InPc) with halogen substituents and novel supramolecular hybrids containing graphene quantum dots (GQDs). 4-Tetra-(2-bromo-4-methylphenol) phtalocyaninato indium(III) chloride was immobilized via π–π stacking interaction on GQDs functionalized with cysteine. The photochemical and sono-photochemical features were determined for both indium phthalocyanine alone and its respective conjugate to investigate their potential in advanced cancer therapies with enhanced singlet oxygen generations. The nanoconjugate form of InPc demonstrated better singlet oxygen quantum yields with results reaching to Φ<sub>∆(SPDT)</sub> = 1.31 and Φ<sub>∆(PDT)</sub> = 0.81 as compared to the InPc alone. These results also confirm that sono-photochemical method enhances therapeutic activity due to the combined benefits of light an ultrasound. This study paves the way for future research aimed at achieving highly efficient singlet oxygen generation.</p>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/aoc.70007","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143248502","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}
引用次数: 0
Response Surface Method (RSM) Process Optimization of Sulfides Oxidation in the Presence of Orange Peel Extract Immobilized Magnetic Hybrid Nanocomposite Catalyst
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2025-02-05 DOI: 10.1002/aoc.7958
Taiebeh Tamoradi, Amanollah Zarei-Ahmady, Bikash Karmakar, Nafise Nabizade
{"title":"Response Surface Method (RSM) Process Optimization of Sulfides Oxidation in the Presence of Orange Peel Extract Immobilized Magnetic Hybrid Nanocomposite Catalyst","authors":"Taiebeh Tamoradi,&nbsp;Amanollah Zarei-Ahmady,&nbsp;Bikash Karmakar,&nbsp;Nafise Nabizade","doi":"10.1002/aoc.7958","DOIUrl":"https://doi.org/10.1002/aoc.7958","url":null,"abstract":"<div>\u0000 \u0000 <p>The oxidative transformation of sulfides to sulfoxides over magnetic green catalysts is one of the most important applications in pharmaceuticals. In this report, we demonstrate the step-by-step fabrication and synthesis of CoFe<sub>2</sub>O<sub>4</sub>, CuFe<sub>2</sub>O<sub>4</sub>, and Fe<sub>3</sub>O<sub>4</sub> nanocomposite modified with orange peel extract complexes as advanced high-performance magnetic nanocomposite materials. One of the goals of this project was to use phenolic acid phytochemicals in the catalytic process. The newly synthesized nanocomposites were characterized by several advanced analytical methods. Utilizing the Box–Behnken experimental design and the response surface methodology (RSM), reaction parameters such the amount of catalyst, hydrogen peroxide, and duration were improved. Furthermore, without experiencing a discernible loss of reactivity in the sulfide oxidation reaction, the catalysts were effortlessly magnetically retrieved and may be employed repeatedly.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143248802","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}
引用次数: 0
Photocatalytic Degradation of Typical Bisphenol Compounds Using Zr-NiFe2O4@ZIF-67/ZIF-8 in Collaboration With Peroxydisulfate/Peroxymonosulfate
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2025-02-05 DOI: 10.1002/aoc.70008
Yawen Wu, Xueying Hou, Ao Li, Ruijian Li, Qingqing Yang, Shaohua Jiang, Jing yu Hu, Qingliang You, Rui Guo
{"title":"Photocatalytic Degradation of Typical Bisphenol Compounds Using Zr-NiFe2O4@ZIF-67/ZIF-8 in Collaboration With Peroxydisulfate/Peroxymonosulfate","authors":"Yawen Wu,&nbsp;Xueying Hou,&nbsp;Ao Li,&nbsp;Ruijian Li,&nbsp;Qingqing Yang,&nbsp;Shaohua Jiang,&nbsp;Jing yu Hu,&nbsp;Qingliang You,&nbsp;Rui Guo","doi":"10.1002/aoc.70008","DOIUrl":"https://doi.org/10.1002/aoc.70008","url":null,"abstract":"<div>\u0000 \u0000 <p>As the amount of tetrachlorobisphenol A (TCBPA) that causes potential adverse effects on human health in the environment is continually increasing. It is therefore important to develop new materials for the adsorption or degradation of these compounds using various techniques. In this study, two novel magnetic recyclable composite catalysts Zr–NiFe<sub>2</sub>O<sub>4</sub>@ZIF-67 and Zr–NiFe<sub>2</sub>O<sub>4</sub>@ZIF-8 were synthesized. These catalysts degraded tetrachlorobisphenol A (TCBPA) in water by activating peroxydisulfate (PDS)/peroxymonosulfate (PMS), respectively. The results show that the Zr–NiFe<sub>2</sub>O<sub>4</sub>@ZIF-67-5%/LED/(NH<sub>4</sub>)<sub>2</sub>S<sub>2</sub>O<sub>8</sub> system can degrade 95% of TCBPA (20 mg/L) within 30 min, whereas the Zr–NiFe<sub>2</sub>O<sub>4</sub>@ZIF-8-10%/LED/KHSO<sub>5</sub> system degrades 90% of TCBPA within 30 min. In instances of metal leaching at low concentrations, nickel and iron ions declined to 0.008 mg·L<sup>−1</sup>, TCBPA exhibits highly efficient and sustainable catalytic properties, maintaining over 80% efficacy across six cycles. The online infrared test experiment results showed the major functional groups disappearing within approximately 130 s. The results of electron paramagnetic resonance and free-radical-quenching experiments showed that SO<sub>4</sub>˙<sup>−</sup>, ˙OH, <sup>1</sup>O<sub>2</sub>, and O<sub>2</sub>˙<sup>−</sup> were involved in the degradation of TCBPA. The possible degradation paths are isomerization polymerization, dechlorination, hydroxylation, ring-opening by oxidation, and further transformation into small molecules of acids, aldehydes, alcohols and other compounds. Thus, in this study, a reliable technique for the degradation of halogenated bisphenol compounds is developed. Overall, the photocatalytic degradation of organic pollutants in water utilizing polymetallic composites as catalysts represents an innovative approach to water treatment, demonstrating enhanced catalytic activity and recyclability, with promising prospects for significant advancements in both theoretical research and practical applications.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143248806","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}
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