Applied Organometallic Chemistry最新文献

{"title":"Monometallic Pd Loaded on N-CNTs by Seed Growth Method as an Efficient Catalyst for Li-O2 Battery","authors":"Zhen Wang,&nbsp;Hao Wu,&nbsp;Zhihao Zhao,&nbsp;Yanjia Zhang,&nbsp;Jie Xiao,&nbsp;Peng Dong,&nbsp;Lei Zhang,&nbsp;Xiaoyuan Zeng","doi":"10.1002/aoc.70327","DOIUrl":"https://doi.org/10.1002/aoc.70327","url":null,"abstract":"<div>\u0000 \u0000 <p>The enormous potential for polarization and poor cycling performance of the cathode restrains the commercial application of Li-O₂ batteries. Therefore, designing effective cathode catalysts for high-performance Li-O₂ batteries is crucial. In this study, nitrogen-doped carbon nanotubes (N-CNTs) modified with ultra-low loading cubic monometallic palladium particles (mPd/N-CNTs) were used as the cathode catalyst for the Li-O₂ batteries. The spray pyrolysis chemical vapor deposition method synthesized N-CNTs that have a special open 3D multi-channel structure that benefits the three-phase reaction interface and promotes the deposition/decomposition of thin-film Li₂O₂. In addition, the seed growth method synthesized high-efficiency catalytic activity of cubic monometallic Pd nanoparticles that encourages the decomposition of discharge products. Hence, the Li-O₂ batteries utilize mPd/N-CNTs as cathode catalysts to deliver a large discharge specific capacity of 11.79 mAh cm⁻², low overpotential (0.93 V), and an ultralong cycling life of 400 cycles/4800 h. Overall, this study provides a feasible idea for designing efficient and stable bifunctional catalysts with ultra-low loading of precious metal, which could have significant implications for developing high-performance Li-O₂ batteries.</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":"144767478","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":"Carboxypyridine-Functionalized MOFs for Enhanced Au(III) Recovery","authors":"Xinliang Wang,&nbsp;Zhiwei Wang,&nbsp;Changqing Xia,&nbsp;Zhengshen Bao,&nbsp;Dehong Xu,&nbsp;Yinhai Ma,&nbsp;Shixing Wang,&nbsp;Weili Li","doi":"10.1002/aoc.70351","DOIUrl":"https://doi.org/10.1002/aoc.70351","url":null,"abstract":"<div>\u0000 \u0000 <p>In this work, functional organic ligands are incorporated into the structurally stable metal–organic framework (UiO-66-SPA) to regulate the electrostatic potential and coordination positions of its inner and outer surfaces. The gold extraction efficiency of functionalized MOFs from acidic gold-containing wastewater is 2.65 times that of non-functionalized UiO-66-(SH)₂. In this way, efficient recovery of Au(III) in complex trace Au(III) wastewater is achieved. After multiple regeneration cycles, UiO-66-SPA still maintains 99% of its adsorption capacity. Through characterization techniques such as X-ray photoelectron spectroscopy (XPS), density functional theory (DFT) calculations, kinetics, and thermodynamics, it is confirmed that the adsorption of Au(III) by UiO-66-SPA involves the synergistic effect of chelation coordination. This work provides a way to enhance adsorption for the post-modification of MOFs. The experiment of recovering Au(III) from industrial simulated wastewater improves the experimental data for the application of this material in Au(III) recovery. The research in this article is of great significance for MOFs materials in environmental protection, sustainable development of non-renewable resources, and green development of Au(III) resources.</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":"144767474","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":"One-Pot Catalytic Syntheses of Quinazolinones by Coupling of 2-Aminobenzamide With Primary Alcohols Using a Nickel(II)-ONO Pincer-Like Complex","authors":"Kinche Shakunthala,&nbsp;Seema Nagarajan,&nbsp;Gunasekaran Balamurugan,&nbsp;Samudranil Pal","doi":"10.1002/aoc.70354","DOIUrl":"https://doi.org/10.1002/aoc.70354","url":null,"abstract":"<div>\u0000 \u0000 <p>One-pot syntheses of biologically relevant quinazolinones using acceptorless dehydrogenative coupling (ADC) of 2-aminobenzamide with various alcohols in the presence of a catalytic amount of [NiL(PPh₃)] (<b>1</b>) (H₂L represents N-(2-hydroxy-1-naphthylidene)-N′-(2-thenoyl)hydrazine, where two Hs are the dissociable phenolic and amide protons) are reported. The identity and purity of <b>1</b> have been confirmed by infrared and ¹H NMR spectroscopic and X-ray crystallographic studies. A variety of substituted derivatives of quinazolinones have been successfully synthesized using a diverse range of alcohols in 40%–83% yields using 5 mol% of <b>1</b>. The detailed mechanistic investigation has revealed that the presence of <b>1</b> leads to the dehydrogenation of alcohol into aldehyde, followed by the formation of a cyclic aminal via condensation of the aldehyde with 2-aminobenzamide. Ultimately, the dehydrogenation of the aminal provides the desired quinazolinone, producing water and dihydrogen as the by-products, thereby making the present catalytic method environmentally benign and sustainable.</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":"144767477","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":"Eu6-Cluster-Based Metal–Organic Framework Biosensor for Sensitive Luminescence Detection of Catecholamine Metabolites","authors":"Fang Cui,&nbsp;Yue-Lin Liu,&nbsp;Xin-Cheng Wang,&nbsp;Sheng-Li Hou,&nbsp;Zi-Hao Zhu,&nbsp;Zhuo-Hao Jiao","doi":"10.1002/aoc.70341","DOIUrl":"https://doi.org/10.1002/aoc.70341","url":null,"abstract":"<div>\u0000 \u0000 <p>Vanillylmandelic acid (VMA) and homovanillic acid (HVA), as metabolic byproducts of catecholamines, may indicate the presence of adrenal tumors, such as neuroblastoma, when their levels are abnormal in urine. Therefore, the detection of VMA and HVA levels is of significant clinical importance. Herein, a novel Eu₆-cluster-based metal–organic framework {[(CH₃)₂NH₂]₂[Eu₆(IDA)₆(μ₃-X)₈]·1.5DMF·19H₂O}_<i>n</i> (<b>1,</b> X: OH⁻/F⁻) with a cage-rich structure was synthesized using the cost-effective ligand 1H-indole-2,5-dicarboxylic acid (IDA). <b>1</b> exhibits excellent solvent and pH stability, making it suitable as a fluorescent probe for detecting the target biomarkers VMA and HVA. The probe demonstrated high sensitivity and a broad linear range of VMA and HVA, with the limit of detection (LOD) as low as 3.46 and 14.74 μmol·L⁻¹, respectively. Additionally, it displayed robust anti-interference properties against common urinary components and its fluorescence remained stable across a wide pH range of 4–8, enabling reliable detection in complex biological environments. Meanwhile, the probe was recyclable for at least five cycles, maintaining structural integrity and sensing performance. Mechanism investigation reveals that fluorescence resonance energy transfer (FRET) may occur between the MOF and HVA, and the inner filter effect (IFE) is responsible for luminescence quenching of VMA to <b>1</b>. These findings highlight the potential of <b>1</b> as a cost-effective, efficient, and reusable probe for biomarker VMA and HVA detection, providing valuable insights for the development of advanced diagnostic tools for disease monitoring.</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":"144767476","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":"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,&nbsp;Gourav Kumar,&nbsp;Tejveer Singh,&nbsp;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 IC₅₀ 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,&nbsp;Mohammed Beldjilali,&nbsp;Smain Bousalem,&nbsp;M'hamed Guezzoul,&nbsp;Drai Ikram,&nbsp;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>² = 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}

{"title":"The Effect of g-C3N4 in Its Composite With Cu-Cu2O on the Catalysis of Aerobic Oxidation of Benzylic Alcohols","authors":"Yongguang Wang,&nbsp;Yi Pei,&nbsp;Siqi Hu,&nbsp;Chunxin Lu,&nbsp;Wei Zhong,&nbsp;Zhiyin Xiao,&nbsp;Junjie Wang,&nbsp;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-Cu₂O with g-C₃N₄ and its application in the catalysis of aerobic oxidation of benzylic alcohols are reported. The composites Cu-Cu₂O/g-C₃N₄ were prepared starting with CuSO₄ under reduction conditions with ball milling, followed by thermal treatment. The introduction of g-C₃N₄ 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-C₃N₄, which raises the VBM level of the chief catalyst Cu₂O 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-C₃N₄ 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}

{"title":"Piperazine-Derived Heteroleptic Cd(II) Silanethiolates: Structural Insights, Catalytic Activity in Allyl Alcohol Oligomerization, and CO2 Sorption Properties","authors":"Daria Kowalkowska-Zedler,&nbsp;Joanna Drzeżdżon,&nbsp;Anna Dołęga,&nbsp;Renata Łyszczek,&nbsp;Piotr Bruździak,&nbsp;Zbigniew Hnatejko,&nbsp;Bartosz Cieśla,&nbsp;Anna Gołąbiewska,&nbsp;Dagmara Jacewicz,&nbsp;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)₃}₂(amppz)]₂⋅6CH₃OH <b>1</b>, binuclear [(<i>μ</i>-amppz)[Cd{SSi (O<i>t</i>Bu)₃}][{Cd{SSi (O<i>t</i>Bu)₃}₂·CH₃OH}] <b>2</b>, and polynuclear [Cd{SSi (O<i>t</i>Bu)₃}₂(<i>μ</i>-ppz)]_n <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)₃}₂]₂ 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 CO₂ 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}

{"title":"Ag@Zn-MOF Composites: A Dual Function Material for Luminescent Detection, Dose Reliant Photodegradation of Ethion Insecticide and Enhanced Bioactivity","authors":"Vibhav Shukla,&nbsp;Gulshitab Aalam,&nbsp;S. Wazed Ali,&nbsp;Astakala Anil Kumar,&nbsp;Nazrul Haq,&nbsp;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)]_n (Zn-MOF), constructed using bis(2-carboxyethyl) isocyanurate (H₂Cei) 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}

{"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,&nbsp;Deemah Mizher Alenazy,&nbsp;Ibtisam Mousa,&nbsp;Nada M. Alatawi,&nbsp;Hind Ahmed Siddiq,&nbsp;Abeer A. Ageeli,&nbsp;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(H₂O)]·nH₂O (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 DMOL³ 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 IC₅₀ 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}