Applied Organometallic Chemistry最新文献

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Synthesis and Polymerization Activity of Phosphine-Pyrrolido [PN] Titanium and Zirconium Complexes
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-10 DOI: 10.1002/aoc.7928
Jin Iwasaki, Tomoyuki Toda, Ayana Wakatsuki, Shun Ohta, Kei Nishii, Yoshihiro Matano, Katsuhiko Takenaka
{"title":"Synthesis and Polymerization Activity of Phosphine-Pyrrolido [PN] Titanium and Zirconium Complexes","authors":"Jin Iwasaki,&nbsp;Tomoyuki Toda,&nbsp;Ayana Wakatsuki,&nbsp;Shun Ohta,&nbsp;Kei Nishii,&nbsp;Yoshihiro Matano,&nbsp;Katsuhiko Takenaka","doi":"10.1002/aoc.7928","DOIUrl":"https://doi.org/10.1002/aoc.7928","url":null,"abstract":"<div>\u0000 \u0000 <p>A monoanionic bidentate [PN]-type ligand based on dibenzophosphole was synthesized, and its coordination properties toward titanium and zirconium were investigated. The complexes [PN]M (NR<sub>2</sub>)<sub>3</sub> (M = Ti, R = Me; M = Zr, R = Et) were synthesized through the reaction of 4-(1H-pyrrole-2-yl)dibenzophosphole, [PN]H, with three equivalents of Ti (NMe<sub>2</sub>)<sub>4</sub> or Zr (NEt<sub>2</sub>)<sub>4</sub>. Both titanium and zirconium complexes featuring the [PN] ligand were characterized by NMR and elemental analysis. Single-crystal X-ray crystallography unveiled the solid-state structure of [PN]Zr (NEt<sub>2</sub>)<sub>3</sub>, with the pyrrolido group coordinated to the zirconium center in the η<sup>1</sup>-mode. Ethylene polymerization at 0.4 MPa using these complexes and dried modified methylaluminoxane (dMMAO) as a cocatalyst yielded linear polyethylene (PE) with a melting point of 128°C–136°C; the polymerization activity reached up to 64 kg/mol (Zr)·h·bar at 70°C.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868146","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
Inspecting the Antimicrobial, Bio-Catalytic, DNA Interactions, In Vitro Cytotoxicity, and Cell Cycle Analysis Efficiency of Newly Nano-Sized Co (II), Ni (II), Cu (II), and Zn (II) Complexes of Schiff's Base Ligand: Spectroscopic Characterization and Quantum Chemical Calculations
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-10 DOI: 10.1002/aoc.7927
Ibtisam Mousa, Marwah M. M. Madkhali, Sharah A. Aldulmani, Abdel-Nasser M. A. Alaghaz
{"title":"Inspecting the Antimicrobial, Bio-Catalytic, DNA Interactions, In Vitro Cytotoxicity, and Cell Cycle Analysis Efficiency of Newly Nano-Sized Co (II), Ni (II), Cu (II), and Zn (II) Complexes of Schiff's Base Ligand: Spectroscopic Characterization and Quantum Chemical Calculations","authors":"Ibtisam Mousa,&nbsp;Marwah M. M. Madkhali,&nbsp;Sharah A. Aldulmani,&nbsp;Abdel-Nasser M. A. Alaghaz","doi":"10.1002/aoc.7927","DOIUrl":"https://doi.org/10.1002/aoc.7927","url":null,"abstract":"<div>\u0000 \u0000 <p>Nano-sized bivalent metal complexes of Cu (II) <b>(C1)</b>, Ni (II) <b>(C2)</b>, Co (II) <b>(C3)</b>, and Zn (II) <b>(C4)</b> were prepared and characterized of the form [M(L)<sub>2</sub>] where L = 2-((E)-((4-methyl-2-(((E)-thiophen-2-ylmethylene)amino)phenyl)imino)methyl)benzenethiol] (C<sub>19</sub>H<sub>16</sub>N<sub>2</sub>S<sub>2</sub>), M = Cu (II), Ni (II), Co (II), and Zn (II). Elemental analyses, molecular weight calculations, infrared, <sup>1</sup>H, <sup>13</sup>C, and <sup>15</sup>N NMR, electronic, mass, magnetic susceptibility, and conductivity assessments were employed to evaluate our bivalent metal complexes. DFT studies were used to study the tautomeric equilibrium of the ligand (HL), via the DFTB3LYP technique in connection with a 6–311G* correlation consistent basis set. The metal formed four coordinated with the tridentate N<sub>2</sub>S donor Schiff base to form octahedral geometry complexes. The XRD analysis of the divalent metal complexes revealed sharp, intense diffraction peaks, indicating their crystalline nature with nanoscale particle sizes. Additional evidence was provided by EDX, SEM, and AFM images, which also confirmed the uniform distribution across the complex surface. Analysis of the absorption patterns for the nano-sized complexes interaction with CT-DNA signifies that the complexes bind via intercalation, with intrinsic binding constant (<i>K</i><sub><i>b</i></sub>) spanning from 4.25 × 10<sup>5</sup> to 8.34 × 10<sup>3</sup> M<sup>−1</sup>. Nano-sized metal (II) complexes show a higher viscous nature than HL. The cytotoxicity of H-L ligand and its complexes against HCT-116, and M-NFS-60 cells was assessed by the MTT assay. Complex <b>C3</b> shows greater cytotoxic effects compared to Cisplatin on MCF-7 cells. Our flow cytometry data indicate significant levels of apoptosis and cell cycle arresting in both liver and breast cancer cell lines.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868172","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
Palladium-Imidazole Nanoparticles' Cytotoxic Effects on Colon Cancer Cells: Induction of Cell Cycle Arrest and Apoptosis Mediated via Mitochondria
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-10 DOI: 10.1002/aoc.7908
Khaled M. Ismail, Safaa S. Hassan, Demiana H. Hanna
{"title":"Palladium-Imidazole Nanoparticles' Cytotoxic Effects on Colon Cancer Cells: Induction of Cell Cycle Arrest and Apoptosis Mediated via Mitochondria","authors":"Khaled M. Ismail,&nbsp;Safaa S. Hassan,&nbsp;Demiana H. Hanna","doi":"10.1002/aoc.7908","DOIUrl":"https://doi.org/10.1002/aoc.7908","url":null,"abstract":"<div>\u0000 \u0000 <p>The present study emphasized the potential antitumor activity of compound A; [Pd (Im)<sub>2</sub>Cl<sub>2</sub>], a nano-sized coordination compound with a size of 23.76 nm. Characterization was performed using elemental analysis, molar conductance, magnetic measurement, FTIR, Ultraviolet–visible (UV–vis) spectroscopy, thermal analysis, mass spectrometry, and NMR. The complex showed stability up to 300°C. Furthermore, the compound's formation spontaneity was supported by activation parameters calculated from TGA. The di-aqua form of the separated solid complex, compound B [Pd (Im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sup>2+</sup>, was successfully prepared. The geometry optimization of imidazole and its complexes showed that both complexes were more stable than free imidazole. The cis di-aqua form of [Pd (Im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sup>2+</sup> exhibits superior stability with a more potent IC<sub>50</sub> value of 5.72±0.68 μg/mL. This form demonstrates greater inhibitory impacts on Caco-2 cancer cell proliferation compared to [Pd (Im)<sub>2</sub>Cl<sub>2</sub>]. Moreover, the cytoxicity of [Pd (Im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sup>2+</sup> against Caco-2 cells was confirmed by a significant increase in LDH levels in treated Caco-2 cells compared to untreated ones. Treatment with [Pd (Im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sup>2+</sup> in Caco-2 cells markedly raised the percentage of early and late apoptotic cells, accompanied by Go/G1 phase arrest with a more intense comet nucleus. Apoptosis induction in [Pd (Im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sup>2+</sup> treated cells was mediated through increased reactive oxygen species (ROS) production. Moreover, [Pd (Im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sup>2+</sup> markedly raised the expression levels of cleaved Caspase-3, Bax, and P53 in treated Caco-2 cells, while concurrently dropping the levels of Bcl-2, cyclin D1, and CDK4. Overall, these findings indicate that [Pd (Im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sup>2+</sup> triggers significant cytotoxicity in Caco-2 cancer cells in a dose-dependent manner, primarily via ROS-mediated cell death, possibly via the mitochondrial pathway. Additionally, the active species in selected proteins related to apoptosis and cell cycle arrest were explored and compared with theoretical molecular docking results. The outcomes also validated the safety of using [Pd (Im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sup>2+</sup> against healthy cells, suggesting it as a promising treatment option for colon cancer in humans.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868185","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
Graphene Oxide Decorated SiO2/Fe3O4 as a Recyclable Catalyst for the Green Synthesis of Novel Thiazinoazepines via Multicomponent Reaction of Isatoic Anhydrides: Cytotoxic Activity and Theoretical Study
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-10 DOI: 10.1002/aoc.7898
Marziyeh Mohammadi, Zahra Azizi, Zinatossadat Hossaini
{"title":"Graphene Oxide Decorated SiO2/Fe3O4 as a Recyclable Catalyst for the Green Synthesis of Novel Thiazinoazepines via Multicomponent Reaction of Isatoic Anhydrides: Cytotoxic Activity and Theoretical Study","authors":"Marziyeh Mohammadi,&nbsp;Zahra Azizi,&nbsp;Zinatossadat Hossaini","doi":"10.1002/aoc.7898","DOIUrl":"https://doi.org/10.1002/aoc.7898","url":null,"abstract":"<div>\u0000 \u0000 <p>This work investigated the use of a complex technique including isatoic anhydrides, α-haloketones, electron-deficient acetylenic compounds, ammonium acetate, and isothiocyanates in a water-based solution at normal room temperature in the presence of SiO<sub>2</sub>/Fe<sub>3</sub>O<sub>4</sub>@Graphene Oxide. The goal was to generate novel thiazinoazepine molecules with significant yields. The thiazinoazepines that have been synthesized contain NH functional groups with acidic protons and demonstrate notable antioxidant activity. The (3-(4,5-Dimethylthiazol-2-yl)-2,5-Diphenyltetrazolium Bromide), MTT assay was utilized to evaluate the cytotoxicity of all the synthesized compounds in vitro against cancer cell lines (MCF-7 and A549) as well as normal cell lines). Cytotoxicity refers to the ability of a compound to kill cells. The derivative <b>6e</b> was shown to be the most potent cytotoxic agent, similar to doxorubicin in its lack of selectivity. Alternatively, compound <b>6b</b> might be considered as a compound that is equally effective but more selective than doxorubicin. Quantum chemical approaches utilizing density functional theory have been utilized to enhance comprehension of reaction mechanisms. The used technology for synthesizing thiazinoazepines provides several advantages, including rapid reaction kinetics, outstanding product yield, and straightforward product isolation.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868186","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
Bi2S3/Eu-Bi12O17CL2 Nanosheets for Photocatalytic Reduction of CO2 to CO
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-10 DOI: 10.1002/aoc.7938
Yi-Nan Zheng, Xiao-Li Song, Shu-Yan Wang, Li-Guo Gao
{"title":"Bi2S3/Eu-Bi12O17CL2 Nanosheets for Photocatalytic Reduction of CO2 to CO","authors":"Yi-Nan Zheng,&nbsp;Xiao-Li Song,&nbsp;Shu-Yan Wang,&nbsp;Li-Guo Gao","doi":"10.1002/aoc.7938","DOIUrl":"https://doi.org/10.1002/aoc.7938","url":null,"abstract":"<div>\u0000 \u0000 <p>Two-dimensional (2D) Eu-Bi<sub>12</sub>O<sub>17</sub>Cl<sub>2</sub> nanosheet binary composites modified by Bi<sub>2</sub>S<sub>3</sub> nanocrystals were constructed at room temperature using a simple in situ anion-exchange strategy with pure carbon disulfide as a direct sulfur source. The method is simple to prepare, energy efficient, and easy to handle compared to conventional treatments. These biphasic composites were thoroughly characterized by a batch of analytical techniques. XRD, FT-IR, Raman, TEM, and XPS spectroscopies verified the coexistence of the two components in the composites, with Bi<sub>2</sub>S<sub>3</sub> uniformly distributed in irregularly shaped nanocrystals of Eu-Bi<sub>12</sub>O<sub>17</sub>Cl<sub>2</sub> nanosheets to form intimate interfacial contacts in the heterojunction domain. In addition, oxygen vacancies can be created during the vulcanization process. The synthesized Bi<sub>2</sub>S<sub>3</sub>/Eu-Bi<sub>12</sub>O<sub>17</sub>Cl<sub>2</sub> composites exhibit high photocatalytic efficiency for CO<sub>2</sub> as well as high selectivity for CO under visible-light irradiation. A feasible photocatalytic mechanism was also proposed and tested for reusability. This study reveals the construction of robust Bi<sub>2</sub>S<sub>3</sub>-containing composites with sufficient oxygen vacancies and enhanced photocatalytic capabilities under moderate conditions.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868272","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
Synthesis, Crystal Structure, Formation Mechanism, Theoretical Studies, and Biological Evaluation of Azine-Based Bismuth (III) Complex 氮基铋 (III) 复合物的合成、晶体结构、形成机理、理论研究和生物学评价
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-12-10 DOI: 10.1002/aoc.7922
Fei-Hong Yao, Chen-Xuan Tang, Xie-Yu Fan, Yue-You Zheng, Tian-Hong Deng, Can Liu, Xuan-Li He, Yan-Hua Lei, Xu Li, Li-Ming Tao, Chuan-Hua Li
{"title":"Synthesis, Crystal Structure, Formation Mechanism, Theoretical Studies, and Biological Evaluation of Azine-Based Bismuth (III) Complex","authors":"Fei-Hong Yao,&nbsp;Chen-Xuan Tang,&nbsp;Xie-Yu Fan,&nbsp;Yue-You Zheng,&nbsp;Tian-Hong Deng,&nbsp;Can Liu,&nbsp;Xuan-Li He,&nbsp;Yan-Hua Lei,&nbsp;Xu Li,&nbsp;Li-Ming Tao,&nbsp;Chuan-Hua Li","doi":"10.1002/aoc.7922","DOIUrl":"https://doi.org/10.1002/aoc.7922","url":null,"abstract":"<div>\u0000 \u0000 <p>The azine-based bismuth (III) complex [Bi(H<sub>2</sub>L<sup>1</sup>)(NO<sub>3</sub>)<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>]•H<sub>2</sub>O(<b>1a</b>) was synthesized by an equivalent reaction between Schiff base and Bi (NO<sub>3</sub>)<sub>3</sub>•5H<sub>2</sub>O using mannitol as an auxiliary agent. During the formation of the complex (<b>1a</b>), the Schiff base containing 3-methoxy group transformed into 3-methoxysalicylaldehyde azine and further coordinated with Bi<sup>III</sup> ion to form a mononuclear Bi<sup>III</sup> complex (<b>1a</b>). Bismuth (III) ions were unexpectedly found to catalyze the formation of the azines from Schiff bases derived from pyrazinohydrazide, and their formation mechanism was further studied. Theoretical studies of the complex (<b>1a</b>) involving thermodynamic and electronic properties were done using the density functional theory (DFT) B3LYP method. Furthermore, in vitro biological evaluation showed that the antimicrobial and cytotoxic activities of the complex (<b>1a</b>) were much higher than those of free ligands. The obtained MIC and IC<sub>50</sub> values of the complex (<b>1a</b>) were almost close to those of the reference drugs.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868375","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
Green Synthesis of New Spiropyrrole Derivatives by Employing Activated Carbonyl Compounds and Graphen Oxide Decorated on Ag@CuO/ZnO NPs or CuO/ZnO NPs: Theoretical and Biological Study
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-11-12 DOI: 10.1002/aoc.7859
Nasir Iravani, Marziyeh Mohammadi, Zinatossadat Hossaini
{"title":"Green Synthesis of New Spiropyrrole Derivatives by Employing Activated Carbonyl Compounds and Graphen Oxide Decorated on Ag@CuO/ZnO NPs or CuO/ZnO NPs: Theoretical and Biological Study","authors":"Nasir Iravani,&nbsp;Marziyeh Mohammadi,&nbsp;Zinatossadat Hossaini","doi":"10.1002/aoc.7859","DOIUrl":"https://doi.org/10.1002/aoc.7859","url":null,"abstract":"<div>\u0000 \u0000 <p>This study focused on investigating the synthesis of new spiropyrrole derivatives with high yields. The two nanocatalyst CuO/ZnO@Graphen Oxide nanocomposites (CuO/ZnO@GO NCs) and Ag/CuO/ZnO@Graphen Oxide (Ag@CuO/ZnO@GO NCs) were employed in a multicomponent reaction at room temperature to synthesize new compounds. The reaction involved isatins, <i>N</i>-alkyl isatins, and ninhydrin as activated carbonyl compounds, ammonium acetate, ethyl 2-arylamino-4-dioxo-4-arylbutanoates, hydrazonoyl chloride, or ethylbromopyruvate in water. Also, the catalytic activity of the green synthesized CuO/ZnO@GO and Ag@CuO/ZnO@GO was evaluated in the reduction of organic pollutants such as 4-nitrophenol (4-NP) in water at mild conditions. The results indicated that the biosynthesized MNCs have very high and effective catalytic activity for organic pollutants within a few seconds. The newly synthesized spiro compounds demonstrate antioxidant activity as a result of two assessment processes conducted by its NH group. In addition, the antibacterial activity of newly created spiro compounds was assessed using a disk distribution method, involving two types of Gram-negative bacteria. These compounds were found to limit the growth of Gram-positive bacteria as well. Also, to better understand the reaction mechanism, density functional theory (DFT)–based quantum chemical methods have been applied. The advantages of this technology encompass rapid response times, high product yields, and uncomplicated catalyst and product separation via simple procedures.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868260","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 Imine Complexes Incorporating ZrO(II), VO(II), and Pd(II) Cations: Synthesis, DFT Calculation, Molecular Docking, Antimicrobial, and Antitumor Activity
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-11-06 DOI: 10.1002/aoc.7785
Shimaa M. Abdel-Fatah, Maram T. Basha, Badriah Saad Al-Farhan, Mohamed R. Shehata, Laila H. Abdel Rahman
{"title":"Novel Imine Complexes Incorporating ZrO(II), VO(II), and Pd(II) Cations: Synthesis, DFT Calculation, Molecular Docking, Antimicrobial, and Antitumor Activity","authors":"Shimaa M. Abdel-Fatah,&nbsp;Maram T. Basha,&nbsp;Badriah Saad Al-Farhan,&nbsp;Mohamed R. Shehata,&nbsp;Laila H. Abdel Rahman","doi":"10.1002/aoc.7785","DOIUrl":"https://doi.org/10.1002/aoc.7785","url":null,"abstract":"<div>\u0000 \u0000 <p>Novel imine complexes of ZrO(II), VO(II), and Pd(II) have been synthesized and described using IR, TGA, UV/Vis, and <sup>1</sup>HNMR methods, along with powder X-ray diffraction (XRD), elemental (CHN) analysis, mass spectrometry, molar conductance, and magnetic susceptibility measurements. Conductivity measurements indicate that none of the complexes function as electrolytes. Magnetic susceptibility data confirm the paramagnetism of the VO(II) complex, while ZrO(II) and Pd(II) complexes exhibit diamagnetic properties. Various analyses suggest that divalent cations favor a 1:1 metal-to-ligand ratio. Biological studies demonstrated that all complexes possess significant antimicrobial activity against a range of bacterial and fungal strains. We also observed that the antimicrobial potency of the metal complexes follows the order: ZrO(II) &gt; Pd(II) &gt; VO(II) &gt; H<sub>2</sub>A, with the ZrO(II) complex showing the highest inhibition zone (28 mm) against Gram-negative bacteria. The antifungal activity against <i>Aspergillus flavus</i> increases in the order VO(II) &gt; ZrO(II) &gt; Pd(II) &gt; H<sub>2</sub>A. Additionally, the complexes exhibit high cytotoxicity against carcinoma cell lines, including the HepG-2, when compared with the clinically proven vinblastine. Density functional theory (DFT) calculations were performed to elucidate the equilibrium geometry of the imine ligand and its complexes at the B3LYP level of theory, using the Gaussian 09 program with 6-311G++(dp) basis set for C, H, O, N, and Cl atoms, and lanl2dz for Pd, V, and Zr atoms. Finally, docking studies revealed potential binding modes at the active sites of bacterial and fungal receptors.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868017","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
Bio-Ag/ZnO@MWCNTs Promoted Green Synthesis of Novel Bis-Pyrimidothiazines: Evaluation of Biological Activity
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-10-28 DOI: 10.1002/aoc.7787
Ashraf Sadat Shahvelayati, Faramarz Rostami-Charati, Hannaneh Sadat Shirangi, Seyyed Komeil Hosseini Sfandani
{"title":"Bio-Ag/ZnO@MWCNTs Promoted Green Synthesis of Novel Bis-Pyrimidothiazines: Evaluation of Biological Activity","authors":"Ashraf Sadat Shahvelayati,&nbsp;Faramarz Rostami-Charati,&nbsp;Hannaneh Sadat Shirangi,&nbsp;Seyyed Komeil Hosseini Sfandani","doi":"10.1002/aoc.7787","DOIUrl":"https://doi.org/10.1002/aoc.7787","url":null,"abstract":"<div>\u0000 \u0000 <p>This work investigated the one-pot multicomponent reactions of guanidine, isothiocyanates, and unsaturated 1,3-dicarbonyl compounds in an aqueous media at room temperature using catalytic quantities of Ag/ZnO@MWCNTs which was produced bis-pyrimidothiazines with high yields. This field of study uses diphenyl-picrylhydrazine (DPPH) radical trapping to investigate the antioxidant properties of some generated bis-pyrimidothiazines. Academic studies that are now in progress have focused on investigating the antibacterial properties of compounds that have been created. An experimental process that produced the bis-pyrimidothiazines showed a number of noteworthy characteristics, including quick reaction kinetics, high product yields, and simple catalyst separation from the reaction mixture.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142869179","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
Green Synthesized Biogenic Ag Nanoparticles With Enhanced Antibacterial, Antifungal, Antibiofilm, and Antioxidant Activities: Catalytic Applications in the ipso-Hydroxylation of Aryl Boronic Acids
IF 3.7 2区 化学
Applied Organometallic Chemistry Pub Date : 2024-10-17 DOI: 10.1002/aoc.7796
Asit Kumar Das, Md Sattar Ali, Arindam Misra, Sahidul Islam, Binoy Kar, Smritikana Biswas, Gaurav Ghatak, Dasarath Mal, Manik Shit, Malay Dolai, Aniruddha Das
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