Applied Organometallic Chemistry最新文献

{"title":"Construction of ZnO@ZIF-8 Core–Shell Heterostructure for Enhanced Formaldehyde Selective Performances at Room Temperature","authors":"Shaohui Huang,&nbsp;Jin Li","doi":"10.1002/aoc.70166","DOIUrl":"https://doi.org/10.1002/aoc.70166","url":null,"abstract":"<div>\u0000 \u0000 <p>Zinc oxide (ZnO) nanorods were synthesized by hydrothermal method, and ZnO@ZIF-8 nanorods with core–shell heterostructure were prepared by water bath synthesis method. The ZnO nanorods were synthesized by water bath and violently stirred at 50°C and 4 h as the optimal reaction time, in which ZIF-8 was a zeolite imidazolic acid skeleton structure. ZnO nanorods serve as the template for the growth of ZIF-8 shell and provide Zn²⁺ ions for its growth. By X-ray diffraction (XRD), it is proved that the nanorods are composed of ZnO and ZIF-8. By field emission electron microscopy (SEM) and transmission electron microscopy (TEM), it is proved that ZnO@ZIF-8 is composed of ZnO in the middle core and ZIF-8 in the outer shell. According to the test by BET, the specific surface area of ZnO and ZnO@ZIF-8 nanorods is 2.16 and 85.08 m²/g, respectively, and the specific surface area of the latter is much larger than that of the former. Compared with ZnO nanorod sensors, the ZnO@ZIF-8 sensor exhibits comparable response levels to formaldehyde, and the response to other test gases is decreased, and the screening ability of formaldehyde has been improved to a certain extent, because the pore size of the ZIF-8 shell has different restrictions on molecules of different sizes. This study shows that coating ZIFs on the surface of metal oxides is an effective method to improve the performance of gas sensors.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835947","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 Protocol for Design, Synthesis, and Biological Evaluation of New Schiff Base Complexes of Co(II), Ni(II), Zn(II), and Cd(II) Metal Ions","authors":"Sarita Beniwal,&nbsp;Manish Kumar Yadav,&nbsp;Ramhari Meena,&nbsp;Nighat Fahmi","doi":"10.1002/aoc.70157","DOIUrl":"https://doi.org/10.1002/aoc.70157","url":null,"abstract":"<div>\u0000 \u0000 <p>New Schiff base ligands, benzyl-2-((4-bromothiophen-2-yl)methylene)hydrazine-1-carbodithioate (L¹), and 2-((4-bromothiophen-2-yl)methylene)hydrazine-1-carbothioamide (L²) were prepared by condensation of respective 4-bromothiophene-2-carbaldehyde with s-benzyldithiocarbazate and thiosemicarbazide. Their Co(II), Ni(II) Zn(II), and Cd(II) complexes were synthesized by conventional as well as microwave irradiation methods. Metal salts react with the ligands in 1:2 M ratio to give colored products. The compounds were characterized by elemental analyses, magnetic measurements, and spectroscopic techniques (FT-IR, UV–Vis, mass, powder XRD,¹H NMR, and ¹³C NMR). Based on the magnetic measurement and spectral data, an octahedral environment for Co(II) and Ni(II) complexes and a tetrahedral structure for Zn(II) and Cd(II) complexes have been proposed. The ligands and their Co(II), Ni(II), Zn(II), and Cd(II) complexes were screened for antibacterial, antifungal, antioxidant, antimycobacterial, and anticancer activities. The synthesized metal(II) complexes were active toward bacterial (<i>E. coli, B. subtilis</i>) and fungal (<i>A. niger, P. chrysogenum</i>) strains. Antioxidant studies indicate that the Zn(II) and Cd(II) complexes possess maximum radical scavenging activity. The synthesized ligand (L¹) and metal(II) complexes were screened for their antimycobacterial properties against <i>Mycobacterium tuberculosis</i> using the BD BACTEC™ MGIT™ DST method. One of the compounds, Ni(L¹)₂·2H₂O, rested the growth of <i>Mycobacterial tuberculosis</i> bacteria. The anticancer activity of the compounds against cancer cell lines MCF-7 and HeLa was performed using the MTT cell viability method. The results showed that M(II) complexes are more sensitive towards the cancer cell line in comparison to the free ligand.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143831026","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 and Sustainable Synthesis of Benzimidazoles Using a Novel Cu (II)-Schiff Base Complex Anchored to Silica-Coated Magnetite Nanoparticles","authors":"Ebrahim Balali,&nbsp;Bahareh Zerehsaz","doi":"10.1002/aoc.70013","DOIUrl":"https://doi.org/10.1002/aoc.70013","url":null,"abstract":"<div>\u0000 \u0000 <p>A new nanocatalyst, MNPs@AA:Cu, has been developed by immobilizing a Cu (II)-aminoacetophenone-Schiff base complex onto the surface of silica-coated magnetite nanoparticles. The nanocatalyst was prepared using readily available reagents and thoroughly investigated using FT-IR, XRD, TGA, FE-SEM, EDS, VSM, and N₂ adsorption–desorption (BET) techniques. The results confirm that the MNPs@AA:Cu nanoparticles exhibit a uniform size distribution with minimal aggregation and demonstrate remarkable stability up to 250°C. Additionally, the integrity of the Fe₃O₄ core remains intact, and the surface coating shows no phase changes. The catalytic activity of a sustainable heterogeneous catalyst was evaluated in the synthesis of various biologically important benzimidazole derivatives from different benzaldehydes and <i>o</i>-phenylenediamine under conventional heating solvent-free conditions, resulting in good to excellent yields of the desired products. More importantly, the catalyst’s magnetic properties enable it to be easily recovered using an external magnet and reused six times without any significant decrease in its catalytic activity or leaching of copper.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830999","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":"Synthesis, Structural, and Electrochemical Studies of Cr(III) Coordination Compound With Guanidine-Hydrazone Ligand and Its Catalytic Activity in the Oxidation of Benzyl Alcohol","authors":"Somayeh Jashnsaz,&nbsp;Rahman Bikas,&nbsp;Neda Heydari,&nbsp;Marta S. Krawczyk,&nbsp;Tadeusz Lis","doi":"10.1002/aoc.70134","DOIUrl":"https://doi.org/10.1002/aoc.70134","url":null,"abstract":"<div>\u0000 \u0000 <p>A novel mononuclear Cr(III) coordination compound, [Cr(HL)(N₃)₂], was synthesized by the reaction of CrCl₃·6H₂O and NaN₃ with the Schiff base ligand (H₃L-Cl). The synthesized ligand and [Cr(HL)(N₃)₂] were characterized by spectroscopic methods. Single-crystal X-ray analysis was also accomplished to confirm the structure of the synthesized Cr(III) compound. According to the results of X-ray analysis, this compound crystallizes in the triclinic system with <i>P-1</i> space group and the CrN₆ coordination environment around the Cr(III) ion can be described as a distorted octahedral geometry. The catalytic activity of [Cr(HL)(N₃)₂] was investigated in the oxidation of benzyl alcohol in presence of hydrogen peroxide. The effects of various parameters were investigated, such as the amount of catalyst, the concentration of oxidant, temperature and solvent. The results show that [Cr(HL)(N₃)₂] has high activity and stability in the investigated oxidation reaction and could selectively convert benzyl alcohol into benzaldehyde. The electrochemical behaviors of the ligand and [Cr(HL)(N₃)₂] were also investigated by cyclic voltammetry.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830998","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":"Syntheses, Spectral Characterization, Computational Study of Some Novel Oxime Bridged Symmetric and Asymmetric Aluminum Dimers Containing Diols Along With Antimicrobial and Anticancer Activities","authors":"Priyanka Sharma,&nbsp;Megha Mittal,&nbsp;Reena Sangwan,&nbsp;Seema Gaur,&nbsp;Jyoti Sharma","doi":"10.1002/aoc.70010","DOIUrl":"https://doi.org/10.1002/aoc.70010","url":null,"abstract":"<div>\u0000 \u0000 <p>Symmetric and asymmetric dinuclear heteroleptic Aluminum (III) derivatives of the types [where {μ₁,₂ N, O}, {R = H(<b>C1</b>), CH₃(<b>C2</b>), Cl(<b>C3</b>), Br(<b>C4</b>)}] and [where R′ = R = H(<b>C5</b>); R′ = H, R = Cl(<b>C6</b>); R′ = H R = Br(<b>C7</b>); R′ = OCH₃, R = H(<b>C8</b>); R′ = OCH₃, R = CH₃(<b>C9</b>); R′ = OCH₃, R = Cl(<b>C10</b>); R′ = OCH₃, R = Br(<b>C11</b>)], containing tetra–tetracoordinated (<b>C1–C5, C9–11)</b> and tetra–hexacoordinated (<b>C6, C7</b>) aluminum atoms, respectively, were synthesized and characterized. The two successive substitution reactions of Al (OPrⁱ)₃ with diols and substituted oximes were carried out in unimolar ratio in refluxing benzene. Further, these complexes were characterized through IR, ¹H-NMR, ¹³C-NMR, and ²⁷Al NMR studies and mass spectrometry. The ²⁷Al NMR spectra of these complexes suggested the presence of tetra–tetra and tetra–hexacoordinated aluminum atoms. Synthesized complexes (<b>C5</b>–<b>C11)</b> and their respective ligands were assessed against <i>Pseudomonas aeruginosa</i> (gram negative) and <i>Staphylococcus aureus</i> (gram positive) for antibacterial activity and <i>Fusarium oxysporum</i> (human pathogen) and <i>Aspergillus niger</i> (plant pathogen) for antifungal activity. The representative compound <b>C6</b> was tested in vitro against human colorectal carcinoma cell line (HCT116) and human breast cancer cell (MCF-7) lines to assess cytotoxicity through MTT assay. Moreover, the structure–activity-relationship among studied compounds has also been designed. Among all the synthesized compounds, <b>C11</b> compound acquired the highest activity against gram-positive bacteria and <b>C5</b> compound acquired the highest activity against plant pathogen for antifungal activity. Computational study was performed for the two compounds <b>C5</b> and <b>C8</b> along with their respective ligands <b>LaH, LfH</b>_<b>2</b><b>, LgH</b>_<b>2</b> in gas phase using B3LYP/631G* basis sets.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143822325","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 Formulation, Chemical Characterization, and Neuroprotective Effects of Silver Nanoparticles Containing Panax ginseng Extract on the Cerebral Ischemia–Reperfusion Injury in a Rat Model","authors":"Xiaozan Chang,&nbsp;Guanglin Zhang","doi":"10.1002/aoc.70107","DOIUrl":"https://doi.org/10.1002/aoc.70107","url":null,"abstract":"<div>\u0000 \u0000 <p>After an ischemic stroke, mechanical recanalization or thrombolysis restores blood flow. Reperfusion, however, may worsen the ischemia-induced harm in certain people, resulting in cerebral reperfusion injury. This damage is caused by a number of pathogenic events, including complement and platelet activation, postischemic hyperperfusion, leukocyte infiltration, and blood–brain barrier disruption. The world's top research goal is developing a new therapeutic medication for stroke. Integrating nanoscience and medicine is essential as the nanorevolution develops. The creation of biogenic technologies for the production of sophisticated nanomaterials is the result of the secret discovered in nature. The current study reveals that the leaves of the pharmacologically significant <i>Panax ginseng</i> plant are capable of biosynthesizing silver nanoparticles. A quick, economical, one-step synthesis procedure has been accomplished. FTIR, EDX, XRD, FE-SEM, DLS, and UV-Vis spectroscopy were used to analyze newly developed silver nanoparticles. The middle cerebral artery was blocked for 1.5 h and then reperfused for 48 h to cause cerebral ischemia–reperfusion damage in rats. Before the ischemia–reperfusion, the animals were given intravenous injections of nanoparticles at doses of 15, 30, 60, and 120 μg/kg once a day for 3 days in a row. The infarct volume, serum lactate dehydrogenase activity, and malondialdehyde (MDA) levels, learning and memory function, and immunoglobulin G (IgG) extravasation into the cerebral parenchyma were evaluated as the cell damage index. Rats' cerebral ischemic stroke-reperfusion damage was shown to be protected by pretreatment with AgNPs. Learning and memory impairments brought on by an ischemic stroke-reperfusion damage were prevented by pretreatment with AgNPs. Silver nanoparticles also significantly blocked the extravasation of IgG and decreased the infarct volume and can be used as a new drug for the treatment of stroke after doing the clinical trial studies.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143822321","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":"Construction of Porous BiPO4/BiOBr@COFs Heterojunction With Adsorption–Photocatalytic Degradation of Ethylene","authors":"Junying Peng,&nbsp;Yuedeng Tang,&nbsp;Shengjie Lu,&nbsp;Wenbei Situ,&nbsp;Xianliang Song","doi":"10.1002/aoc.70149","DOIUrl":"https://doi.org/10.1002/aoc.70149","url":null,"abstract":"<div>\u0000 \u0000 <p>Ethylene, a natural plant hormone, accelerates the aging and decay of fruits and vegetables, leading to quality deterioration and reduced shelf life during maturation. In this work, a porous BiPO₄/BiOBr@COFs (BPB@COFs) heterojunction has been synthesized via the solvothermal method and surface deposition method and utilized in photocatalysis for ethylene degradation under visible light irradiation. The BPB@COFs composites demonstrate greater efficacy in ethylene degradation performance. With light irradiation, the <i>K</i>′ values of ethylene degradation rate constant from small to large are as follows: COFs (2.24 E⁻⁴), BiPO₄ (2.91 E⁻⁴), BiOBr (4.28 E⁻⁴), BPB (4.68 E⁻⁴), and BPB@COFs (6.18 E⁻⁴). In addition, their properties were characterized by various microscopic, X-ray, and spectroscopic analytical techniques, as well as optical and photoelectrochemical analyses. Due to the COF's porous structure, the specific surface area of BPB@COFs was seven times that of BPB, which took advantage of ethylene adsorption. Dark adsorption experiments show that BPB@COFs can adsorb three times as much as BPB@COFs because of the way COFs are structured. The fascinating photocatalytic performance is attributed to the interfacial interaction between COFs and BPB, which enhanced the transfer of photogenerated electrons and charge carriers' separation. Consequently, this study introduces a sustainable approach for addressing emerging ethylene, which can be utilized in the field of photocatalysis for practical applications.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143818455","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 Amyloid Beta Aggregation Inhibition Properties of New Pt (II) Complexes and Their Potential in Alzheimer's Treatment","authors":"Salih Günnaz,&nbsp;Onur Şahin,&nbsp;Sevil İrişli","doi":"10.1002/aoc.70159","DOIUrl":"https://doi.org/10.1002/aoc.70159","url":null,"abstract":"<p>In this study, N-phenylortho-phenylenediamine and N-phenyl ethylenediamine were utilized as amines, and two novel ligands, benzimidazole (LI) and Schiff base (LII), were synthesized through condensation reactions with 3-methoxy-4-benzyloxybenzaldehyde. Furthermore, using these same amines, LIII (benzimidazole) with 3-phenoxybenzaldehyde and LIV (Schiff base) with 4-benzyloxybenzaldehyde were synthesized in accordance with the literature. Then, Pt (II) complexes (Ia, Ib, II, III, and IV) were prepared with these ligands, and it was determined that Ia and Ib are geometric isomers. The ligands and complexes were characterized using ¹H-NMR, ¹³C-NMR, FT-IR, and elemental analysis methods. The cytotoxic effects of these complexes were evaluated on SH-SY5Y neuronal cells. Low-toxicity complexes Ia, II, and IV were then tested for their ability to inhibit amyloid beta (Aβ_1–42) aggregation. Thioflavin T fluorescence analysis, AFM imaging, and MALDI-TOF mass spectrometry demonstrated that these complexes, particularly at a 1:1 complex-to-amyloid molar ratio, effectively inhibited Aβ aggregation. These findings suggest that Pt (II) complexes containing Schiff base and benzimidazole ligands may be effective against Alzheimer's disease by alleviating Aβ toxicity.</p>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/aoc.70159","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143818629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Zinc Tungstate Supported on Graphitic Carbon Nitride for Efficient Oxidative Desulfurization of Oil","authors":"Ran Wu,&nbsp;Chunfeng Mao,&nbsp;Yifei Zhou,&nbsp;Haojie Sun,&nbsp;Jingxuan Xu","doi":"10.1002/aoc.70147","DOIUrl":"https://doi.org/10.1002/aoc.70147","url":null,"abstract":"<div>\u0000 \u0000 <p>Binary metal oxides hold immense potential in catalysis; however, their efficient utilization remains a significant challenge. Zinc tungstate (ZnWO₄) was loaded onto graphitic carbon nitride (g-C₃N₄) via a highly efficient and energy-saving room-temperature stirring method to prepare a ZnWO₄/g-C₃N₄ (ZnWO/CN) composite with a sandwich structure for oxidative desulfurization. The appearance, structure, and stability of ZnWO/CN were characterized by X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, X-ray photoelectron spectroscopy (XPS), and some other characterization tests. Results demonstrate the successful incorporation of ZnWO₄ nanoparticles within the layered porous structure of g-C₃N₄, achieving a highly dispersed state. In addition, ZnWO/CN exhibits a significantly higher specific surface area and enhanced stability compared to pure ZnWO₄ and effectively mitigates the propensity of ZnWO₄ towards agglomeration. The catalytic performance evaluation indicates that ZnWO/CN (30 wt%) achieves exceptional desulfurization efficiency at a lower preparation cost. A near-complete sulfur removal rate of 99.89% was achieved within 180 min under optimized conditions (<i>m</i>(catalyst) of 20.00 mg, <i>V</i>(ILs)/<i>V</i>(Oil) of 1/20, and <i>V</i>(H₂O₂) of 0.2 mL, 80°C). Furthermore, the catalyst retained high desulfurization efficiency even after eight consecutive cycles. Notably, the adsorption affinity of ZnWO/CN towards reactants enabled a significant reduction in ionic liquid dosages. By combining catalytic characterization testing, quenching experiment, and EPR test, the catalytic reaction mechanism of the oxidation desulfurization was ultimately obtained. The preparation of this sandwich catalyst provides research ideas for the preparation of new supported catalysts.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143818454","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":"Exploring Anticancer Activity and DNA Binding of Metal (II) Salicylaldehyde Schiff Base Complexes: A Convergence of Experimental and Computational Perspectives","authors":"Ibrahim Waziri,&nbsp;Sheldon Sookai,&nbsp;Tunde L. Yusuf,&nbsp;Kolawole A. Olofinsan,&nbsp;Alfred J. Muller","doi":"10.1002/aoc.70162","DOIUrl":"https://doi.org/10.1002/aoc.70162","url":null,"abstract":"<p>Metal complexes derived from salicylaldehyde-based Schiff bases are among the frontrunners in the pursuit of precise and potent cancer treatments due to their remarkable prowess. In this study, salicylaldehyde-based Schiff base (<b>HL</b>) was prepared via a reaction between 2-amino-5-benzonitrile and salicylaldehyde. Subsequently, <b>HL</b> was further reacted with Ni (II), Co (II), Cu (II) and Pd (II) ions using their respective metal salts to obtain homoleptic mononuclear complexes (<b>C1</b>–<b>C4</b>). The composition of <b>HL</b> and <b>C1</b>–<b>C4</b> were determined using ¹H and ¹³C NMR, UV–Vis, FTIR, CHN, SEM–EDX and HRMS analyses. In addition, the structural geometries of <b>HL</b>, <b>C1</b>, <b>C3</b> and <b>C4</b> were determined in solid state using single crystal X-ray diffraction analysis and corroborate with the mentioned characterization techniques employed. The stability of compounds was assessed through time-dependent UV–vis spectroscopy, revealing that <b>C2</b> exhibited the highest stability under the experimental conditions. Subsequently, the anticancer effects of <b>HL</b> and <b>C2</b> were tested on breast cancer cell lines (MCF-7) using MTT, LDH and ATP assays. Both <b>HL</b> and <b>C2</b> displayed potential cytotoxicity on the MCF-7 cell line, in which <b>C2</b> displayed a better inhibition effect than a standard chemotherapeutic agent, doxorubicin (DOX), with IC₅₀ of 43.08 μM. We postulate that the mechanism by which <b>C2</b> may function is by binding to DNA (<span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <msub>\u0000 <mi>K</mi>\u0000 <mi>a</mi>\u0000 </msub>\u0000 </mrow>\u0000 <annotation>$$ {K}_a $$</annotation>\u0000 </semantics></math> = 0.114 (± 0.02) × 10⁴) and intercalation (shown by UV-CD and UV-LD spectroscopy) at the AT rich sites. These data were corroborated in silico by extra precision (XP) docking and molecular dynamic (MD) simulations.</p>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/aoc.70162","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809726","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}