{"title":"Unlocking the Potential of ZnO-NPs Assisted Heterogeneous Synthesis: A Novel Approach to Fabricate Fused Thienopyridines as a Promising Scaffold for Prostate Cancer Treatment","authors":"Parveen Kumar, Gourav Kumar, Tejveer Singh, Meena Nemiwal","doi":"10.1002/aoc.70355","DOIUrl":"https://doi.org/10.1002/aoc.70355","url":null,"abstract":"<div>\u0000 \u0000 <p>Herein, we delineate an efficacious heterogeneous protocol for the one-pot synthesis of fused thienopyridine derivatives through the employment of diverse thiophene carboxaldehydes and glycine esters, catalyzed by simple ZnO nanoparticles (ZnO-NPs). This novel methodology exhibits considerable functional group tolerance, yielding the targeted thienopyridine derivatives in moderate to good yield within appropriate reaction time. The catalytic presence of ZnO-NPs significantly enhances reaction efficiency by augmenting the electrophilic nature of aldehydes and activating the carbonyl group, thus facilitating nucleophilic attack for the synthesis of fused thienopyridine conjugates. Within the array of synthesized derivatives, compound <b>3aa</b> underwent evaluation for its in vitro anticancer efficacy against prostate cancer (PC-3) cell lines and human embryonic kidney (HEK) cells. Remarkably, compound <b>3aa</b> exhibited substantial inhibitory activity against PC-3 cell lines, achieving an IC<sub>50</sub> value of 12.7 μM.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 9","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144767336","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}
{"title":"Green Synthesis of Sep-NiO Nanocomposite Using Mentha aquatica Leaf: Exploring Catalytic Efficiency, Kinetics, Thermodynamics, and Neural Network Prediction in Methylene Blue Degradation","authors":"Benouali Mohamed Elamine, Mohammed Beldjilali, Smain Bousalem, M'hamed Guezzoul, Drai Ikram, Alejandro Jiménez","doi":"10.1002/aoc.70340","DOIUrl":"https://doi.org/10.1002/aoc.70340","url":null,"abstract":"<div>\u0000 \u0000 <p>In present research, small-sized Sep-NiO nanocomposites were synthesized using <i>Mentha aquatica</i> leaf extract as a reducing and capping agent. The nanocomposites were systematically characterized to determine their crystallographic structure, chemical composition, morphological features, thermal stability, and luminescence properties. X-ray diffraction (XRD) was employed to assess the crystal structure and phase purity, while FTIR spectroscopy and X-ray photoelectron spectroscopy (XPS) provided insights into the chemical bonding and surface states. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) coupled with energy-dispersive X-ray spectroscopy (EDX) were used to examine the nanoscale morphology and bulk elemental distribution. Atomic force microscopy (AFM) offered additional topographical information, and thermogravimetric analysis (TGA) evaluated the thermal stability. Zetasizer Nano and zeta potential measurements were conducted to assess particle size distribution and colloidal stability, respectively. Photoluminescence (PL) studies were performed to explore the optical and electronic properties of the nanocomposites. The nanocomposite was applied to the catalytic reduction of methylene blue, with a deep neural network model predicting degradation efficiency based on variables including catalyst mass, NaBH4 concentration, MB concentration, and reaction time. The model demonstrated excellent predictive accuracy (<i>R</i><sup>2</sup> = 0.99), with RMSE, MAE, and MSE values of 1.95, 1.71, and 3.83, respectively. Kinetic studies showed that methylene blue degradation increased with catalyst mass and NaBH4 concentration but decreased at higher MB concentrations. Thermodynamic analysis indicated that the process was endothermic, involving physical adsorption on the catalyst surface, and led to increased system order.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 9","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144767319","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}
Yongguang Wang, Yi Pei, Siqi Hu, Chunxin Lu, Wei Zhong, Zhiyin Xiao, Junjie Wang, Xiaoming Liu
{"title":"The Effect of g-C3N4 in Its Composite With Cu-Cu2O on the Catalysis of Aerobic Oxidation of Benzylic Alcohols","authors":"Yongguang Wang, Yi Pei, Siqi Hu, Chunxin Lu, Wei Zhong, Zhiyin Xiao, Junjie Wang, Xiaoming Liu","doi":"10.1002/aoc.70348","DOIUrl":"https://doi.org/10.1002/aoc.70348","url":null,"abstract":"<div>\u0000 \u0000 <p>In this work, the preparation and characterization of a composite of Cu-Cu<sub>2</sub>O with g-C<sub>3</sub>N<sub>4</sub> and its application in the catalysis of aerobic oxidation of benzylic alcohols are reported. The composites Cu-Cu<sub>2</sub>O/g-C<sub>3</sub>N<sub>4</sub> were prepared starting with CuSO<sub>4</sub> under reduction conditions with ball milling, followed by thermal treatment. The introduction of g-C<sub>3</sub>N<sub>4</sub> into the composite can enhance the catalytic oxidation. Band structure analysis based on UPS data reveals that the enhancement can be attributed to the small work function of g-C<sub>3</sub>N<sub>4</sub>, which raises the VBM level of the chief catalyst Cu<sub>2</sub>O through injecting electrons into the oxide at the heterojunction due to Fermi energy alignment. Both VBM ascending and forming an internal electric field (IEF) due to the electron transfer across the interface contribute to the enhancement in the catalysis. Further, the N-rich matrix g-C<sub>3</sub>N<sub>4</sub> promotes proton transfer in the catalysis due to its basicity, which also accelerates the catalysis.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 9","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144767320","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}
Daria Kowalkowska-Zedler, Joanna Drzeżdżon, Anna Dołęga, Renata Łyszczek, Piotr Bruździak, Zbigniew Hnatejko, Bartosz Cieśla, Anna Gołąbiewska, Dagmara Jacewicz, Agnieszka Pladzyk
{"title":"Piperazine-Derived Heteroleptic Cd(II) Silanethiolates: Structural Insights, Catalytic Activity in Allyl Alcohol Oligomerization, and CO2 Sorption Properties","authors":"Daria Kowalkowska-Zedler, Joanna Drzeżdżon, Anna Dołęga, Renata Łyszczek, Piotr Bruździak, Zbigniew Hnatejko, Bartosz Cieśla, Anna Gołąbiewska, Dagmara Jacewicz, Agnieszka Pladzyk","doi":"10.1002/aoc.70336","DOIUrl":"https://doi.org/10.1002/aoc.70336","url":null,"abstract":"<div>\u0000 \u0000 <p>Three new complexes—mononuclear [Cd{SSi (O<i>t</i>Bu)<sub>3</sub>}<sub>2</sub>(amppz)]<sub>2</sub>⋅6CH<sub>3</sub>OH <b>1</b>, binuclear [(<i>μ</i>-amppz)[Cd{SSi (O<i>t</i>Bu)<sub>3</sub>}][{Cd{SSi (O<i>t</i>Bu)<sub>3</sub>}<sub>2</sub>·CH<sub>3</sub>OH}] <b>2</b>, and polynuclear [Cd{SSi (O<i>t</i>Bu)<sub>3</sub>}<sub>2</sub>(<i>μ</i>-ppz)]<sub>n</sub> <b>3</b>—have been obtained in the reaction of piperazine (ppz) and 1-(2-aminoethyl)piperazine (amppz) with [Cd{SSi (O<i>t</i>Bu)<sub>3</sub>}<sub>2</sub>]<sub>2</sub> in diverse molar ratios of the reagents. Characterization of the properties of the obtained compounds was performed using a broad range of techniques: single-crystal X-ray diffraction, FTIR and UV–Vis spectroscopy, TG, and DSC analysis. Theoretical calculations were performed using density functional theory (DFT) to optimize molecular geometries, complemented by noncovalent interaction (NCI) analysis to map key intermolecular forces. IR and UV–Vis spectra were also simulated to support the experimental characterization. Luminescence studies have shown that crystalline <b>1</b>–<b>3</b> exhibit dual emission at room temperature ascribed to the intraligand transition. Compound <b>1</b> was further investigated for potential CO<sub>2</sub> sorption and initiation of allyl alcohol oligomerization in the presence of MAO as the activator of the process. To date, the use of any cadmium(II) compounds in the polymerization of allyl alcohol has not been described in the literature.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 9","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144767321","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}
Vibhav Shukla, Gulshitab Aalam, S. Wazed Ali, Astakala Anil Kumar, Nazrul Haq, Kafeel Ahmad Siddiqui
{"title":"Ag@Zn-MOF Composites: A Dual Function Material for Luminescent Detection, Dose Reliant Photodegradation of Ethion Insecticide and Enhanced Bioactivity","authors":"Vibhav Shukla, Gulshitab Aalam, S. Wazed Ali, Astakala Anil Kumar, Nazrul Haq, Kafeel Ahmad Siddiqui","doi":"10.1002/aoc.70339","DOIUrl":"https://doi.org/10.1002/aoc.70339","url":null,"abstract":"<div>\u0000 \u0000 <p>This work reports the synthesis and detailed characterization of a zinc-based metal–organic framework, [Zn (Cei)]<sub>n</sub> (Zn-MOF), constructed using bis(2-carboxyethyl) isocyanurate (H<sub>2</sub>Cei) as the ligand, alongside its silver-doped variants (Ag@Zn-MOF-n, where <i>n</i> = 1–3). Comprehensive analyses, including XPS, PXRD, SEM, EDX mapping, Raman spectroscopy, and FTIR, confirmed the successful incorporation of silver ions into the Zn-MOF framework. The photoluminescent sensing capabilities of Ag@Zn-MOF-2 were explored for detecting dimethoate (DMA) and ethion (ETH) insecticides, achieving excellent quenching efficiencies, with detection limits of 2.109 ppm and 2.229 ppm, respectively. The photocatalytic activity of Ag@Zn-MOF-2 was also investigated for the degradation of the insecticides under visible light, where Ag@Zn-MOF-2 demonstrated a significantly higher degradation efficiency (91.37%) for ETH compared to the undoped Zn-MOF (31.89%). Antimicrobial studies revealed that Ag@Zn-MOF-2 exhibited improved activity against Gram-positive <i>Staphylococcus aureus</i> and Gram-negative <i>Escherichia coli</i>, with MIC and MBC values of ≤128 mg/L for <i>S. aureus</i> and ≤256 mg/L for <i>E. coli</i>, surpassing the performance of the undoped Zn-MOF. Furthermore, Ag@Zn-MOF-2 showed enhanced antioxidant activity in the DPPH radical scavenging assay compared to the parent Zn-MOF. These results underscore the versatility of Ag@Zn-MOF-2 as a multifunctional material for applications in environmental remediation, pollutant detection, and in the field of biological activity.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 9","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144767752","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}
Nada D. Alkhathami, Deemah Mizher Alenazy, Ibtisam Mousa, Nada M. Alatawi, Hind Ahmed Siddiq, Abeer A. Ageeli, Abdel-Nasser M. A. Alaghaz
{"title":"Design, Synthesis, DFT, and Biological Evaluation of Nano-Sized Pt(II) and Cu(II) Complexes of 2-(Benzo[d]oxazol-2-yl)phenylphosphoramidic Dichloride: Spectral Analysis, Cell Cycle Arrest, Apoptosis Assay, Cytotoxicity, and DNA Binding/Cleavage","authors":"Nada D. Alkhathami, Deemah Mizher Alenazy, Ibtisam Mousa, Nada M. Alatawi, Hind Ahmed Siddiq, Abeer A. Ageeli, Abdel-Nasser M. A. Alaghaz","doi":"10.1002/aoc.70319","DOIUrl":"https://doi.org/10.1002/aoc.70319","url":null,"abstract":"<div>\u0000 \u0000 <p>A new novel bidentate benzo[d]oxazole ligand, 2-((benzo[d]oxazol-2-yl)phenyl)phosphoramidic dichloride (H-BOPPADC), is synthesized through reacting 2-(benzo[d]oxazol-2-yl)aniline and phosphoryl trichloride in a 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(BOPPADC)Cl(H<sub>2</sub>O)]·nH<sub>2</sub>O (as M = Cu(II) (S1); <i>n</i> = 6 and Pt(II) (S2); <i>n</i> = 3 and BOPPADC = ligand). The molar conductance findings demonstrate the nonelectrolytic behavior of all inspected metal complexes. Infrared spectral analysis indicates both the removal of a proton and the bonding of the imine-NH. Additionally, it supports involving the nitrogen atom from the benzo[d]oxazol group in complex development. Quantum chemical calculations, along with electronic spectra and magnetic susceptibility findings, indicate that two complexes exhibit a square planar configuration. The EPR spectrum for Cu(II) complex confirmed the suggested structure. Thermodynamic parameters are determined through the Horowitz–Metzger (HM) and Coast–Redfern (CR) techniques. The complexes' structural geometries are validated by employing the DFT approach, utilizing DMOL<sup>3</sup> determinations. The EDX, TEM, and AFM analysis of the studied complex unveils distinct and strong diffraction peaks, indicating its crystalline nature and providing evidence of its nano-sized particle sizes. Various bacterial and fungal pathogens were evaluated to assess the in vitro antimicrobial effectiveness of the ligand and metal complexes. The results highlight these compounds as a highly effective fungicides and bactericides. To explore the interaction among CT-DNA and M(II) complex, absorption titration was performed within a Tris-HCl buffer (pH 7). Additionally, viscosity measurement was used to evaluate the DNA-binding activity of the Pt(II) complex in a buffer solution. The data demonstrated that Pt(II) complex exhibits strong binding to CT-DNA through an intercalative binding mechanism. The capability of the complexes S1 and S2 to cleave DNA without the need for external agents is demonstrated by their interaction with pUC19 DNA. In vitro cytotoxic effects of the formulated complexes were explored utilizing HePG2 liver cancer cells. According to IC<sub>50</sub> and selective index (SI) measurements, it was shown that the complex exhibited higher potency against MCF7 cell lines. Moreover, Pt(II) complex exhibited the capability of triggering DNA damage in HePG2 cells, resulting in dose-dependent cell apoptosis. Subsequent investigations revealed that the complex triggered cell cycle arrest during the S and G2 phases.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 9","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144767751","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}
Shriniwas P. Patil, Rajesh Y. Chaudhari, Mahesh S. Nemade
{"title":"Bactericidal and Cytotoxic Potential of Silver Nanoparticles Green Synthesized Using Phytochemically Prospected Arachis hypogea Pods","authors":"Shriniwas P. Patil, Rajesh Y. Chaudhari, Mahesh S. Nemade","doi":"10.1002/aoc.70345","DOIUrl":"https://doi.org/10.1002/aoc.70345","url":null,"abstract":"<div>\u0000 \u0000 <p><i>Arachis hypogea</i> or groundnuts are widely consumed nuts as a source of protein and oil. After removal of nuts, empty pods are fed to cattle as fodder. So far, hardly a few articles have reported the detection or isolation of any compound from groundnut pods. The present research work aimed towards qualitative phytochemical analysis of <i>A. hypogea</i> pods, their use in green synthesis of silver nanoparticles, and characterization using modern techniques and evaluation of their antimicrobial activity and cytotoxicity against the breast cancer cell line MCF7. Spectroscopic and chromatographic methods of phytochemical analysis showed the presence of various flavonoids, terpenoids, and iridoids in groundnut pods. These compounds further brought about the reduction of silver nitrate to silver nanoparticles, which on characterization were found to have a spherical/oval shape with an average particle size of 27 nm. On screening, it was observed that they had significant antimicrobial activity (agar well diffusion method) against Gram-positive bacteria than Gram-negative ones and fungal strains, and cytotoxicity against MCF-7 (3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide, MTT assay). Nomarski interference contrast microscopic imaging on staining of silver nanoparticle-treated MCF7 by rhodamine phalloidin and 4′,6-diamidino-2-phenylindole (DAPI) proved the disrupted integrity of actin filaments and chromatin condensation, respectively, within MCF7 cells.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 9","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144767749","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}
{"title":"Nanoarchitectured Biocomposites: Synergistic Halloysite-Chitin Magnets for Sustainable Cadmium (II) Mitigation in Water","authors":"Elaheh NaserNasir, Hossein Parvaresh, Fatemeh S. Mohseni-Shahri, Farid Moeinpour, Mohsen Dehghani Ghanatghestani","doi":"10.1002/aoc.70288","DOIUrl":"https://doi.org/10.1002/aoc.70288","url":null,"abstract":"<div>\u0000 \u0000 <p>A novel functionalized halloysite-nanochitin magnetic biocomposite, NiFe<sub>2</sub>O<sub>4</sub>-HNTs-chitin, was synthesized to effectively remove Cd (II) ions from aqueous media. The morphology and structure of the nanoadsorbent were analyzed using TEM, SEM, XRD, FT-IR, BET, EDS, and VSM. The adsorption studies demonstrated a peak Cd (II) adsorption capacity of 400.00 mg/g under conditions of 25°C, pH 6, using 0.05 g/100 mL of NiFe<sub>2</sub>O<sub>4</sub>-HNTs-chitin, with equilibrium achieved within just 10 min. Adsorption kinetics follow a pseudo-second-order model, and the isothermal data corresponded with the Langmuir model, suggesting monolayer adsorption on the adsorbent surface and a chemically controlled rate-determining step. The thermodynamic analysis showed that the uptake process is both spontaneous and exothermic (<i>ΔH</i> = −511.028 kJ/mol, <i>ΔG</i> = −32.78 kJ/mol). Remarkably, the adsorbent maintained high uptake and release effectiveness even after four cycles, with the primary mechanism of Cd (II) removal attributed to chelation through oxygen (O) and nitrogen (N) atoms. These results demonstrate that NiFe<sub>2</sub>O<sub>4</sub>-HNTs-chitin is a highly efficient and recyclable sorbent for removing Cd (II) ions from water, with significant practical applicability.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 9","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144767750","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}
Sattar R. Majeed, Mina A. Amin, Hasan Yavuz Goren, Burcu Dedeoglu, Fawzy A. Attaby, Ahmed A. Soliman
{"title":"Synthesis, Characterization, ADME, Molecular Docking, In Silico Structural and Mechanistic Studies and Biological Activities of Pt(IV) Complexes Based on Diamine Derivatives","authors":"Sattar R. Majeed, Mina A. Amin, Hasan Yavuz Goren, Burcu Dedeoglu, Fawzy A. Attaby, Ahmed A. Soliman","doi":"10.1002/aoc.70323","DOIUrl":"https://doi.org/10.1002/aoc.70323","url":null,"abstract":"<div>\u0000 \u0000 <p>Pt(IV) complexes based on diamine derivatives, 3,4-diaminobenzoic acid (DABA), and 4–chloro–o–phenylenediamine (CPDA) were prepared and investigated thermally, spectroscopically, and magnetically. Thermal investigations revealed that the octahedral complexes were thermally stable. DFT calculations confirmed that the calculated absorption and infrared data agreed with the experimental results. Hydrolysis and reduction mechanisms were also investigated computationally to assess the activation behavior of the complexes. Hydrolysis barriers indicated substantial kinetic inertness, while reduction via enolate β-carbon attack was found to be energetically accessible under physiological conditions. The potential cytotoxicity of the complexes was screened against HELA, PC3, and MCF7. [Pt (CPDA)(ox)Cl<sub>2</sub>] showed activity against the HELA cancer cell line with IC<sub>50</sub> values of 14.9 μg/mL. The complexes also exhibited antibacterial activities against <i>Escherichia coli</i>, <i>Klebsiella pneumoniae</i>, and <i>Staphylococcus aureus</i>. The highest antibacterial activity was observed against <i>S. aureus</i>, with the complexes demonstrating performance comparable to that of the standard; [Pt (CPDA)Cl<sub>4</sub>] exhibited an inhibition zone with diameters of 23.6 ± 0.6 mm. Docking studies were conducted against <i>E. coli</i> (PDB ID: 6F86) and <i>S. aureus</i> (PDB ID: 3q89). ADME investigations were carried out to study the absorption and metabolism properties of the Pt(IV) complexes.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 9","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144740548","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}
Kai Gong, Daquan Zhang, Xiangxiang Yu, Guozhen Su, Jian Shen, Xiaodong Cheng, Aijie Liu
{"title":"Bis(Biguanide)-Anchored Palladium on Covalent Organic Framework: Highly Stable and Recyclable Catalyst for Suzuki, Heck, and Sonogashira Reactions","authors":"Kai Gong, Daquan Zhang, Xiangxiang Yu, Guozhen Su, Jian Shen, Xiaodong Cheng, Aijie Liu","doi":"10.1002/aoc.70330","DOIUrl":"https://doi.org/10.1002/aoc.70330","url":null,"abstract":"<div>\u0000 \u0000 <p>The palladium-catalyzed cross-coupling reactions are promising methods for carbon–carbon bond formation. In recent decades, porous nanomaterials such as covalent organic frameworks (COFs) have been developed to address the challenges of homogenous catalysts, particularly rapid deactivation and recycling; however, achieving high catalyst loading with stable catalytic performance remains a significant challenge. In this study, we developed a nitrogen-enriched COF with large channels by using bis(biguanide) (DG) and triphenylbenzene (TPB) as building blocks. The bis(biguanide)s offer multiple binding sites, enabling high binding affinity, resulting in the uniform immobilization of Pd(II) with high loading to form Pd/DG-COF. The intersecting TPB structure provides a large pore size, allowing for improved mass transport for efficient catalysis. Additionally, the inherent physiochemical properties of DG and TPB result in potential cation-π interactions and π-π interactions with benzene-based substrates, which significantly accelerate the catalytic activity, resulting in a good catalytic performance, with turnover frequency (TOF) of approximately 5000 h<sup>−1</sup> and broad substrate applicability. Pd/DG-COF maintained stable performance and remarkable recyclability, with no significant loss of activity observed after 10 catalytic cycles. This work highlights the importance of rational COF skeleton design in developing robust catalytic systems and highlights the promising potential of Pd/DG-COF in the field of sustainable catalysis, with minimal loss of noble metal centers.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 9","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144740547","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}