Applied Organometallic Chemistry最新文献

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Anticancer Activity, DFT, Molecular Docking, ADMET, and Molecular Dynamics Simulations Investigations of Schiff Base Derived From 2,3-Diaminophenazine and Its Metal Complexes 由 2,3-二氨基吩嗪及其金属复合物衍生的希夫碱的抗癌活性、DFT、分子对接、ADMET 和分子动力学模拟研究
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-19 DOI: 10.1002/aoc.7953
Saleh M. Bufarwa, Mustapha Belaidi, Leila M. Abbass, Dalal K. Thbayh
{"title":"Anticancer Activity, DFT, Molecular Docking, ADMET, and Molecular Dynamics Simulations Investigations of Schiff Base Derived From 2,3-Diaminophenazine and Its Metal Complexes","authors":"Saleh M. Bufarwa,&nbsp;Mustapha Belaidi,&nbsp;Leila M. Abbass,&nbsp;Dalal K. Thbayh","doi":"10.1002/aoc.7953","DOIUrl":"https://doi.org/10.1002/aoc.7953","url":null,"abstract":"<div>\u0000 \u0000 <p>In our previous study, Schiff base (<b>1</b>) complexes derived from 2,3-diaminophenazine and metal ions Co(II) (<b>2</b>), Ni(II) (<b>3</b>), Cu(II) (<b>4</b>), and Cd(II) (<b>5</b>) were synthesized and characterized, demonstrating a significant biological activity. This study investigates their anticancer potential, specifically against prostate cancer. The complexes exhibited notable reductions in cancer cell viability, with IC<sub>50</sub> values of 0.531 μM Ni(II), 0.630 μM Cu(II), and 0.655 μM Co(II), comparable with the standard drug enzalutamide. The Co(II) complex showed the highest efficacy, while Cd(II) displayed the lowest (IC<sub>50</sub> = 0.648 μM). The presence of a phenazine ring in these complexes enhances DNA binding, contributing to their anticancer effects. HOMO-LUMO calculations revealed energy gaps ranging from 2.525 to 3.294 eV, indicating varying reactivity and potential for biological interactions. Molecular docking studies revealed that compound (<b>1</b>) exhibited the highest binding affinity (−9.19 kcal/mol) for the prostate cancer-related receptor, with significant hydrogen bond interactions. Molecular dynamics simulations over 100 ns demonstrated stable binding, with RMSD values below 1.5 Å, and RMSF analysis provided insights into protein flexibility. ADMET studies revealed favorable drug-like properties, including good gastrointestinal absorption (&gt; 30%), high blood–brain barrier permeability (LogBBB = 0.64), and high human intestinal absorption (68.47%–88.79%). No inhibition of CYP2D6 was observed, suggesting low risk for drug–drug interactions. These Schiff base-metal complexes show promising anticancer activity and favorable ADMET profiles, indicating their potential as therapeutic agents for prostate cancer treatment.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868616","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
Iron(III) Bis(Phenol) Amine Complex Supported on Functionalized Graphene Oxide Nanosheets as an Efficient and Recoverable Catalyst for Room Temperature Epoxidation of Alkenes
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-18 DOI: 10.1002/aoc.7919
Milad Aghajani, Elham Safaei, Fariborz Mansouri
{"title":"Iron(III) Bis(Phenol) Amine Complex Supported on Functionalized Graphene Oxide Nanosheets as an Efficient and Recoverable Catalyst for Room Temperature Epoxidation of Alkenes","authors":"Milad Aghajani,&nbsp;Elham Safaei,&nbsp;Fariborz Mansouri","doi":"10.1002/aoc.7919","DOIUrl":"https://doi.org/10.1002/aoc.7919","url":null,"abstract":"<div>\u0000 \u0000 <p>Iron(III) bis(phenol) amine complex immobilized on the surface of functionalized graphene oxide nanosheets (FeL<sup>GDC</sup>-AP/GO) has introduced as a highly active and recoverable catalyst for the epoxidation of alkenes. Optimizing different parameters in the oxidation of styrene as a model substrate revealed that 100% conversion and selectivity were obtained toward styrene oxide in the presence of H<sub>2</sub>O<sub>2</sub> (28 wt%) as oxidant and water/acetone (3:1) as a solvent system in a bicarbonate buffer system. Furthermore, the catalyst displayed 54%–100% conversion and 90%–100% selectivity for the epoxidation of various aromatic and aliphatic alkenes under optimized reaction conditions at room temperature. The recycling experiment showed that FeL<sup>GDC</sup>-AP/GO could be easily recovered by simple filtration and recycled six times without loss of the activity and selectivity. The high catalytic activity and selectivity of the developed catalyst could be attributed to the well-designed coordination sphere around the iron core as well as the presence of GO support, which facilitates the electron transfer process beside the catalyst recovery.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868496","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
Copper Acetylacetonate–Immobilized Halloysite Nanotube: An Efficient Natural and Green Catalyst for the Synthesis of 4H-Chromenes at Room Temperature
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-18 DOI: 10.1002/aoc.7944
Seyed Ali Mousavi-Mashhadi, Ali Shiri
{"title":"Copper Acetylacetonate–Immobilized Halloysite Nanotube: An Efficient Natural and Green Catalyst for the Synthesis of 4H-Chromenes at Room Temperature","authors":"Seyed Ali Mousavi-Mashhadi,&nbsp;Ali Shiri","doi":"10.1002/aoc.7944","DOIUrl":"https://doi.org/10.1002/aoc.7944","url":null,"abstract":"<div>\u0000 \u0000 <p>A new copper acetylacetonate immobilized on halloysite nanotube (HNT) was synthesized. For this purpose, (3-aminopropyl)trimethoxysilane (AMPTSi) was covalently bonded to the surface of halloysite nanotubes, and then copper acetylacetonate was immobilized onto the modified support. The chemical and physical structure of Cu(acac)<sub>2</sub>/AMPTSi/HNTs were characterized via various analyses such as TEM, SEM, EDS, FTIR, XRD, TGA, and N<sub>2</sub> adsorption–desorption. The efficiency of this catalyst was studied in a one-pot three-component reaction of benzaldehydes, dimedone, and malononitrile/ethyl cyanoacetate for the synthesis of 4<i>H</i>-chromenes. For all substrates, good to excellent yields of the corresponding 4<i>H</i>-chromenes were obtained.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868495","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 ZnAl-LDH on Biomass Carbon for Highly Efficient Photodegradation of Malachite Green (MG) From Water
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-18 DOI: 10.1002/aoc.7942
Di Su, Wen Xu, Dongbin Yang, Jiandu Lei, Jing Liu, Chunping Chen, Dermot O'Hare
{"title":"In Situ Growth of ZnAl-LDH on Biomass Carbon for Highly Efficient Photodegradation of Malachite Green (MG) From Water","authors":"Di Su,&nbsp;Wen Xu,&nbsp;Dongbin Yang,&nbsp;Jiandu Lei,&nbsp;Jing Liu,&nbsp;Chunping Chen,&nbsp;Dermot O'Hare","doi":"10.1002/aoc.7942","DOIUrl":"https://doi.org/10.1002/aoc.7942","url":null,"abstract":"<div>\u0000 \u0000 <p>As a renewable new material with high void ratio, large adsorption surface area, and high adsorption rate, biomass carbon (BC) is a promising adsorbent, which has received wide attention for the degradation of dyes. However, physical adsorption cannot completely remove dyes, and there is also the risk of secondary pollution. ZnAl-layered double hydroxide (ZnAl-LDH) is a semiconductor photocatalyst with abundant active sites and excellent degradation efficiency. In this paper, we have designed a ZnAl-layered double oxide@biomass carbon (ZnAl-LDO@BC) formed by in situ grown LDH on the waste poplar wood as a synergistic adsorption and photocatalytic system. BC as a support could enhance the dispersity of layered double oxide (LDO), whereas LDO could provide photodegradation function to BC. Our studies indicate that the prepared ZnAl-LDO@BC presents lower bandgap energy, higher surface area, and lower complexation efficiency of holes and electrons than delignified biomass (DB). As a result, ZnAl-LDO@BC increased the removal rate of malachite green (MG) to 85.8%, which is 3.5 times higher than DB. The maximum removal rate was close to 98%, and the removal capacity was 1954 mg g<sup>−1</sup> under an initial concentration of 200 mg L<sup>−1</sup> of MG dye, and the possible mechanism of MG degradation was also investigated. In this study, the conversion of agroforestry wastes into high-value materials applied to dye degradation provides a new pathway for the production of stable, sustainable, and superior photocatalytic material.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868494","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
Recent Applications of the Sonogashira Reaction in the Synthesis of Drugs and Their Derivatives: A Review
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-17 DOI: 10.1002/aoc.7932
Fang Yan, Xiyu Zhang, Daliang Li, Nengbo Zhu, Hongli Bao
{"title":"Recent Applications of the Sonogashira Reaction in the Synthesis of Drugs and Their Derivatives: A Review","authors":"Fang Yan,&nbsp;Xiyu Zhang,&nbsp;Daliang Li,&nbsp;Nengbo Zhu,&nbsp;Hongli Bao","doi":"10.1002/aoc.7932","DOIUrl":"https://doi.org/10.1002/aoc.7932","url":null,"abstract":"<div>\u0000 \u0000 <p>Metal-catalyzed cross-coupling reactions are essential tools for constructing C–C bonds in organic synthesis. Among these prominent approaches, the Sonogashira reaction stands out as a key player and is widely utilized in medicinal chemistry. This versatile method enables the creation of complex C (sp<sup>2</sup>)–C (sp) bonds by linking aryl or vinyl halides with terminal alkynes, facilitating the efficient construction of molecular structures crucial for drug development. A notable application of the Sonogashira reaction is its ability to incorporate aromatic and alkynyl functionalities into pharmaceutical compounds. Depending on the impactful catalytic system evolved gradually, the Sonogashira reaction can involve either double-metal catalysis or single-metal catalysis. This review sheds light on the diverse applications of the Sonogashira coupling approach in drug synthesis and the generation of their derivatives.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868482","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
Innovation of Some Novel Complexes Based on N-[(Ethylcarbamothioyl)amino]-1-(hydrazine Carbonyl)formamide (L2) and (L3) N,N′-Bis-[(ethylcarbamothioyl)amino]ethane Diamide Ligands: Synthesis, Structural Elucidation, DFT Calculations, and Biological Studies
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-16 DOI: 10.1002/aoc.7933
Sara A. Sadak, Nagawa A. Nawar, Omali Y. El-khawaga, Mohsen M. Mostafa
{"title":"Innovation of Some Novel Complexes Based on N-[(Ethylcarbamothioyl)amino]-1-(hydrazine Carbonyl)formamide (L2) and (L3) N,N′-Bis-[(ethylcarbamothioyl)amino]ethane Diamide Ligands: Synthesis, Structural Elucidation, DFT Calculations, and Biological Studies","authors":"Sara A. Sadak,&nbsp;Nagawa A. Nawar,&nbsp;Omali Y. El-khawaga,&nbsp;Mohsen M. Mostafa","doi":"10.1002/aoc.7933","DOIUrl":"https://doi.org/10.1002/aoc.7933","url":null,"abstract":"<div>\u0000 \u0000 <p>Different chelates derived from, <i>N</i>-[(ethylcarbamothioyl)amino]-<i>1-</i>(hydrazinecarbonyl)formamide (<b>L</b><sup><b>2</b></sup><b>)</b> and <i>N,N′-</i>bis-[(ethylcabomothioyl)amino]ethanediamide (<b>L</b><sup><b>3</b></sup>), with metal ions were synthesized and characterized by elemental analyses, spectral (IR, UV–Vis, <sup>1</sup>H NMR, <sup>13</sup>C NMR, and mass), TGA, and magnetic measurements. The two new ligands (<b>L</b><sup><b>2</b></sup> and <b>L</b><sup><b>2</b></sup>) were synthesized using <b>L</b><sup><b>1</b></sup> (oxalic acid dihydrazide [<b>ODH</b>]). Theoretical studies and molecular docking calculations were investigated. IR spectra suggest that <b>L</b><sup><b>2</b></sup> behaves in a bidentate manner coordinating either via the carbonyl oxygen and the nitrogen atom of the hydrazine group and/or through the sulfur (C=S and/or C–S) and the NH groups. In the case of <b>L</b><sup><b>3</b></sup>, the metal complexes were obtained in the enol form with the removal of proton or more from either the carbonyl (C=O) and/or thioketo (C=S) or both groups after enolization is occurred, except the Pd<sup>2+</sup>, which was isolated in the keto form without removal of hydrogen atoms. The computational estimation of <b>L</b><sup><b>2</b></sup>, and <b>L</b><sup><b>3</b></sup> and their complexes were approved with the Gaussian 09 W program in DFT/B3LYP. DPPH and ABTS were tested against two free radical scavengers that were utilized in order to evaluate the antioxidant potential of complexes in vitro. Biological effectiveness of <b>L</b><sup><b>2</b></sup> and <b>L</b><sup><b>3</b></sup> and their complexes against Gram-positive and Gram-negative bacteria was in vitro investigated. Antifungal action was investigated utilizing inhibition zone diameter. Moreover, the ligands and its complexes were exhibited a broad spectrum of <b>DNA</b> degradation effects, as measured by agarose gel electrophoresis. The antioxidant activity of the complexes was determined based on the radical scavenging ability in reacting with a stable <b>DPPH</b>. Wound healing assay was tested with the most active complexes against liver cancer cell line HepG-2.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868647","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
Mn (III)-Porphyrin Complex as an Efficient and Recyclable Homogeneous Catalyst for Convenient Synthesis of Thioxo-4,5-Dihydro-3H-thiazolo Pyrimidin-2-One Derivatives in Aqueous Media via a One-Pot Multicomponent Reaction
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-15 DOI: 10.1002/aoc.7950
Abdullah Yahya Abdullah Alzahrani, Thomas Nady A. Eskander, Ahmed M.M. Soliman, Alhafez M. Alraih, Mahmoud Abd El Aleem Ali Ali El-Remaily
{"title":"Mn (III)-Porphyrin Complex as an Efficient and Recyclable Homogeneous Catalyst for Convenient Synthesis of Thioxo-4,5-Dihydro-3H-thiazolo Pyrimidin-2-One Derivatives in Aqueous Media via a One-Pot Multicomponent Reaction","authors":"Abdullah Yahya Abdullah Alzahrani,&nbsp;Thomas Nady A. Eskander,&nbsp;Ahmed M.M. Soliman,&nbsp;Alhafez M. Alraih,&nbsp;Mahmoud Abd El Aleem Ali Ali El-Remaily","doi":"10.1002/aoc.7950","DOIUrl":"https://doi.org/10.1002/aoc.7950","url":null,"abstract":"<div>\u0000 \u0000 <p>This study successfully utilized the Mn (III)–porphyrin complex (Mn (PT)Cl) as an efficient and recyclable catalyst for a one-pot, three-component reaction involving aromatic aldehydes, 2,4-thiazolidinedione, and thiourea. The reaction yielded thioxo-4,5-dihydro-<i>3H</i>-thiazolo pyrimidin-2-one derivatives under eco-friendly conditions. Elemental and spectral analyses confirmed the structures of the synthesized compounds, validating the successful formation of the target products. The reactions were conducted in a sustainable environment using a green solvent mixture of H₂O and EtOH. The results showcased the excellent catalytic activity and selectivity of the complexes, resulting in good yields of the desired products. This research provides valuable insights into the synthetic applications of the Mn (PT)Cl complex and emphasizes the potential of such catalysts for various organic transformations. The method's simplicity, safety, commercial availability, stability, rapid reaction times, and high yields indicate promising future applications in industry.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868533","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
Novel Mononuclear Cu(II), Ni(II), and Co(II) Complexes of Coumarinyl-Pyrazolyl-Thiazole Thiosemicarbazone: Synthesis, Characterization, and Biological Evaluation
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-15 DOI: 10.1002/aoc.7948
Magdy Shebl, Tarik E. Ali, Mohammed A. Assiri
{"title":"Novel Mononuclear Cu(II), Ni(II), and Co(II) Complexes of Coumarinyl-Pyrazolyl-Thiazole Thiosemicarbazone: Synthesis, Characterization, and Biological Evaluation","authors":"Magdy Shebl,&nbsp;Tarik E. Ali,&nbsp;Mohammed A. Assiri","doi":"10.1002/aoc.7948","DOIUrl":"https://doi.org/10.1002/aoc.7948","url":null,"abstract":"<div>\u0000 \u0000 <p>Cu(II), Ni(II), and Co(II) acetates reacted with a thiosemicarbazone ligand (CPPTSC; HL) to produce novel solid complexes with the general formula [M(L)(H<sub>2</sub>O)<sub><i>m</i></sub>]·<i>n</i>H<sub>2</sub>O, <i>m</i> = 2 or nil, <i>n</i> = 1 or nil, M = Cu(II), Ni(II), and Co(II). Several analytical and spectroscopic techniques have been efficiently used to characterize the synthesized chelates. The investigated CPPTSC ligand functions as a monoanionic tridentate in all chelates. Measurements of molar conductivity showed that all chelates behaved in a non-electrolytic manner. In contrast to nickel-CPPTSC and cobalt-CPPTSC complexes, which showed tetrahedral geometries, the copper-CPPTSC complex showed a distorted octahedral geometry. The thermal decomposition behaviors of CPPTSC complexes were examined using TG. To assess the molecular structural characteristics of CPPTSC and its complexes, density functional theory (DFT) was applied at the B3LYP/6-311G(d,p) and LanL2dz levels. The antiproliferative properties of CPPTSC and its chelates against two human cancer cell lines, HepG-2 (hepatic) and MCF-7 (breast), were evaluated. The Cu-CPPTSC and Ni-CPPTSC complexes displayed the superior IC<sub>50</sub> values compared with doxorubicin, suggesting a potentially improved therapeutic index. The bioactive Cu-CPPTSC and Ni-CPPTSC complexes markedly increased the late apoptosis of all studied tumor cells. The Cu-CPPTSC and Ni-CPPTSC complexes showed great cell cycle arrest in the G2 phase and moderate cell cycle arrest in the S phase. The discovered Cu-CPPTSC and Ni-CPPTSC complexes were then subjected to a molecular docking experiment and displayed good interactions with CDK-2 receptor.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868532","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
Deep Eutectic Solvent Engineered Dendritic Fibrous Nano-Silica Catalyst for Sustainable Fixation of CO2 Into Value-Added Product at Atmospheric Condition
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-15 DOI: 10.1002/aoc.7910
Sarat Chandra Alla, Allwin Sudhakaran, Omkar B. Bembalge, Akshaya K. Samal, Rey Eliseo Torrejos, Mohd Nor Faiz Norrrahim, Arvind H. Jadhav
{"title":"Deep Eutectic Solvent Engineered Dendritic Fibrous Nano-Silica Catalyst for Sustainable Fixation of CO2 Into Value-Added Product at Atmospheric Condition","authors":"Sarat Chandra Alla,&nbsp;Allwin Sudhakaran,&nbsp;Omkar B. Bembalge,&nbsp;Akshaya K. Samal,&nbsp;Rey Eliseo Torrejos,&nbsp;Mohd Nor Faiz Norrrahim,&nbsp;Arvind H. Jadhav","doi":"10.1002/aoc.7910","DOIUrl":"https://doi.org/10.1002/aoc.7910","url":null,"abstract":"<div>\u0000 \u0000 <p>Developing efficient carbon dioxide (CO<sub>2</sub>) capture and conversion methods is vital for climate change mitigation. Cycloaddition of CO<sub>2</sub> with epoxides to form cyclic carbonates is a promising utilization method. In this study, a deep eutectic solvent-modified dendritic fibrous nano-silica (DES@DFNS) catalyst was synthesized by functionalizing DFNS with DES. This catalyst was used for the cycloaddition of CO<sub>2</sub> with styrene oxide to produce styrene carbonate. The material's morphology and properties were characterized using various analytical techniques, revealing a high surface area, good porosity, and significant concentrations of Lewis acidic and basic sites. Rietveld refinement analysis provided insights into its phase composition, crystallite size, microstrain, stress, and other microstructural properties. Despite a lower surface area, DES@DFNS demonstrated superior catalytic activity. The interaction between DES and DFNS showed that DES was physically adsorbed onto the DFNS surface, contributing to its enhanced performance. Factors such as smaller crystallite size, higher microstrain, increased dislocation density, and improved elastic properties provided more active sites and greater mechanical stability, boosting overall efficiency and durability. The DES@DFNS catalyst achieved 99% conversion of styrene oxide with 96% selectivity and 95% yield of styrene carbonate at 120 °C for 10 h under solvent-free, atmospheric conditions. The synergistic effect of Lewis acidic and basic sites on DES@DFNS supported catalytic activity under moderate conditions. Additionally, the catalyst demonstrated reusability, maintaining performance for up to six cycles without significant loss of activity, making it a promising candidate for sustainable CO<sub>2</sub> fixation and valorization processes.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868528","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
Structural and Electrical Characterization of Cs2SnBr6: Insights From Raman Spectroscopy and Conductivity Under Varying Light Conditions
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-15 DOI: 10.1002/aoc.7952
Mohamed Bouzidi, Abdullah A. Alatawi, Achref Jebnouni, Safa Teka, Sayda Osman, Nuzaiha Mohamed, Raoudha Soury, Mohamed Ben Bechir
{"title":"Structural and Electrical Characterization of Cs2SnBr6: Insights From Raman Spectroscopy and Conductivity Under Varying Light Conditions","authors":"Mohamed Bouzidi,&nbsp;Abdullah A. Alatawi,&nbsp;Achref Jebnouni,&nbsp;Safa Teka,&nbsp;Sayda Osman,&nbsp;Nuzaiha Mohamed,&nbsp;Raoudha Soury,&nbsp;Mohamed Ben Bechir","doi":"10.1002/aoc.7952","DOIUrl":"https://doi.org/10.1002/aoc.7952","url":null,"abstract":"<div>\u0000 \u0000 <p>Lead-free tin halide perovskites, particularly Cs<sub>2</sub>SnBr<sub>6</sub>, are gaining significant attention for their potential in optoelectronic applications. In this study, we investigate the material's electrical and vibrational properties under varying illumination conditions, providing novel insights into the impact of light on its conduction mechanisms. Cs<sub>2</sub>SnBr<sub>6</sub> was synthesized via liquid-phase and solid-state reactions, and we report comprehensive analyses of its impedance, AC conductivity, and dielectric properties over a wide frequency range. Notably, our results reveal that light-induced photogenerated charge carriers enhance conductivity, which is well explained by the overlapping large-polaron tunneling (OLPT) model, while in darkness, the material follows the correlated barrier hopping (CBH) model. Moreover, Raman spectroscopy highlights structural changes, including a slight shortening of Sn–Br bond distances under illumination, which influences the vibrational frequencies and intensities. These findings emphasize the crucial role of illumination in tuning the electrical and dielectric responses of Cs<sub>2</sub>SnBr<sub>6</sub>, thus demonstrating its considerable promise for future optoelectronic applications, such as solar cells and photodetectors.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868529","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
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