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Structural, spectroscopic, fluorescent, and computational studies of binuclear copper (II) and zinc (II) complexes with an asymmetric salamo-type ligand 不对称萨拉莫型配体的双核铜 (II) 和锌 (II) 配合物的结构、光谱、荧光和计算研究
IF 3.7 2区 化学 Q2 CHEMISTRY, APPLIED Pub Date : 2024-09-01 DOI: 10.1002/aoc.7659
Zhi-Lei Chai,  Li-Tong, Hai-Wei Zhang, Li Wang, Wen-Kui Dong

Salamo-type ligand H2L was designed and synthesized and reacted with Cu (II) and Zn (II) acetate, respectively, to obtain two binuclear Cu (II) and Zn (II) complexes: [Cu2(L)2]·2CH3OH (1) and [Zn2(L)2] (2) having the same coordination number but distinct geometries. Complex 1 is a Cu (II) complex containing two crystalline ethanol molecules, where two Cu (II) atoms are surrounded by two utterly deprotonated (L)2− parts, forming slightly twisted tetragonal pyramidal configurations of pentacoordinate. In complex 2, two utterly deprotonated (L)2− parts surround two Zn (II) atoms, forming pentadentate twisted triangular bipyramidal configurations. The complexes were elucidated via IR analyses and ultraviolet spectroscopy. Using DFT theoretical calculation, MEPs, IRI, and Hirshfeld surface analysis to investigate further the molecular interactions and reaction sites. Ultimately, the fluorescence characteristics of H2L and its complexes 1 and 2 were discussed.

设计并合成了萨拉莫型配体 H2L,并分别与 Cu (II) 和 Zn (II) 乙酸酯反应,得到了两种双核 Cu (II) 和 Zn (II) 配合物:[Cu2(L)2]-2CH3OH (1) 和 [Zn2(L)2] (2),它们具有相同的配位数,但几何结构不同。配合物 1 是含有两个结晶乙醇分子的 Cu (II) 配合物,其中两个 Cu (II) 原子被两个完全去质子化的 (L)2- 部分包围,形成略微扭曲的五配位四方金字塔构型。在复合物 2 中,两个完全去质子化的 (L)2- 部分环绕着两个 Zn (II) 原子,形成五配位的扭曲三角双锥构型。这些配合物通过红外分析和紫外光谱得到了阐明。利用 DFT 理论计算、MEPs、IRI 和 Hirshfeld 表面分析进一步研究了分子相互作用和反应位点。最后,讨论了 H2L 及其配合物 1 和 2 的荧光特性。
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引用次数: 0
A Pyridazine-Based Cadmium(II) Organic Framework With pcu Topology as a Luminance Sensor to Nitrobenzene, Al(III), and Cu(II) Ion 具有 pcu 拓扑结构的哒嗪基镉(II)有机框架作为硝基苯、铝(III)和铜(II)离子的亮度传感器
IF 3.7 2区 化学 Q2 CHEMISTRY, APPLIED Pub Date : 2024-09-01 DOI: 10.1002/aoc.7743
Huang Pei-Pei, Wu Ting-Ting, Tuo Meng-Qi, Zhang Rui-Ying, Shuai Chun-Jiang, Liu Bo, Song Juan, Zhang Sheng-Rui, Lu Jiu-Fu

In the field of water decontamination, the design of luminance sensor for sensitive detection of heavy metal ion toxic and nitroaromatic compounds are important and challenging. Herein, a new luminescent Cd(II) metal–organic framework (MOF), {[Cd2(H2O)3(4-CPCA)2]·2H2O}n (SNUT-27) (H2(4-CPCA) = 1-(4-carboxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid) was obtained by the reaction of flexible ligand H2(4-CPCA) and Cd(II) ions, characterized by single crystal X-ray diffraction, PXRD, FT-IR, and TGA, the samples were further analyzed. The analysis of single crystal X-ray diffraction showed that SNUT-27 possesses a distinct three-dimensional spatial arrangement and demonstrates impressive fluorescence properties. Particularly, SNUT-27 showed a highly sensitive response to the nitro-aromatic compounds nitrobenzene by fluorescence quenching, and in contrast, showed a fluorescence enhancement response to Al3+ and Cu2+. SNUT-27 can be effortlessly recycled by simply rinsing with water post-sensing experiments, showcasing its reusability. Additionally, potential detection mechanisms have been explored.

在水净化领域,设计用于灵敏检测重金属离子毒性和硝基芳香族化合物的发光传感器既重要又具有挑战性。在此,一种新型发光镉(II)金属有机框架(MOF)--{[Cd2(H2O)3(4-CPCA)2]-2H2O}n(SNUT-27)(H2(4-CPCA) = 1-(4-羧基苯基)-4-氧代-1、由柔性配体 H2(4-CPCA) 和镉(II)离子反应得到,并通过单晶 X 射线衍射、PXRD、傅立叶变换红外光谱和热重分析对样品进行了表征。单晶 X 射线衍射分析表明,SNUT-27 具有独特的三维空间排列和令人印象深刻的荧光特性。特别是,SNUT-27 对硝基芳香族化合物硝基苯的荧光淬灭反应非常灵敏,而对 Al3+ 和 Cu2+ 的荧光增强反应则相反。SNUT-27 只需在传感实验后用水冲洗即可轻松回收,这充分展示了其可重复使用性。此外,还探索了潜在的检测机制。
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引用次数: 0
Comparison of In Vitro and In Vivo Biological Screening of Nano-Palladium (II) and Platinum (II)-Based Compounds With DFT and Molecular Docking Study 通过 DFT 和分子对接研究比较纳米钯 (II) 和铂 (II) 基化合物的体外和体内生物学筛选
IF 3.7 2区 化学 Q2 CHEMISTRY, APPLIED Pub Date : 2024-09-01 DOI: 10.1002/aoc.7713
Safaa S. Hassan, Wafaa M. Hosny, Mohamed A. Aboutabl, Dalia B. Fayed, Perihan A. Khalf-Alla

Within the current challenges in medicinal chemistry, the creation of novel and improved therapeutic agents stands out. 2-Cyano-3-(thiophen-2-yl)prop-2-enethioamide (CTPTA) ligand was complexed with palladium (II) and platinum (II) ions within the nanoscale with the molecular formula [M (CTPTA)Cl2]. H2O. The CTPTA ligand and its complexes were characterized by elemental analysis, UV–Vis spectra, FTIR, mass spectra, TGA, magnetic measurement, and the molar conductance technique. Analysis with a scanning electron microscope (SEM) revealed that the nanostructure dimension of both complexes is predominantly between 10 and 30 nm. The CTPTA ligand functions as a bidentate ligand, utilizing thione sulfur, and cyanide nitrogen atoms. Density functional theory was employed to analyze the geometric structure properties of the CTPTA ligand and its complexes. Natural population (NPA) and Mulliken population (MPA) methods were used to calculate the charge distribution. The cytotoxic impact results of all compounds on human liver cancer (HepG2) cell line were satisfactory. The ligand and its complexes were also tested against gram-negative and gram-positive bacteria in vitro. The findings of the molecular docking study supported the cytotoxicity and antibacterial effects. The antioxidant and anti-inflammation activities of synthesized palladium (II) and platinum (II) complexes had a great spectrum of activity. The preclinical pharmacokinetic studies on albino rats revealed that the newly studied complexes achieved excellent antitumor results. This was clear in the investigated parameters, especially the amelioration of AFP levels, liver weight, oxidative stress, and lobular hepatic architecture injury.

在当前药物化学面临的挑战中,新型改良治疗剂的创造尤为突出。2-Cyano-3-(thiophen-2-yl)prop-2-enethioamide (CTPTA) 配体与钯(II)和铂(II)离子在纳米尺度上络合,分子式为 [M (CTPTA)Cl2]。H2O。CTPTA 配体及其络合物通过元素分析、紫外可见光谱、傅立叶变换红外光谱、质谱、热重分析、磁性测量和摩尔电导技术进行了表征。扫描电子显微镜(SEM)分析表明,两种配合物的纳米结构尺寸主要在 10 至 30 纳米之间。CTPTA 配体利用硫酮硫原子和氰化氮原子作为双齿配体。密度泛函理论用于分析 CTPTA 配体及其配合物的几何结构特性。计算电荷分布时采用了自然群体法(NPA)和穆利肯群体法(MPA)。所有化合物对人类肝癌(HepG2)细胞系的细胞毒性影响结果均令人满意。配体及其复合物还对革兰氏阴性菌和革兰氏阳性菌进行了体外测试。分子对接研究的结果支持了配体的细胞毒性和抗菌效果。合成的钯(II)和铂(II)配合物具有很强的抗氧化和抗炎活性。在白化大鼠身上进行的临床前药代动力学研究表明,新研究的复合物具有很好的抗肿瘤效果。这一点在所研究的参数中都很明显,特别是在改善甲胎蛋白水平、肝脏重量、氧化应激和肝小叶结构损伤方面。
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引用次数: 0
Excellent Catalytic Performances of Embedded CoFe2O4 and TiO2 Nanoparticles on the Surface of Silica Matrix Toward Reduction of Toxic Cr (VI), Dyes, and Nitroaromatic Compounds 二氧化硅基质表面嵌入 CoFe2O4 和 TiO2 纳米粒子在还原有毒六价铬、染料和硝基芳香族化合物方面的优异催化性能
IF 3.7 2区 化学 Q2 CHEMISTRY, APPLIED Pub Date : 2024-09-01 DOI: 10.1002/aoc.7674
Elham Zarbakhsh, Zohreh Derikvand

A novel TiO2/CoFe2O4/SiO2 magnetic nanocomposite was successfully synthesized using sol–gel and hydrothermal methods. This nanocomposite consists of highly dispersed CoFe2O4 and TiO2 nanoparticles on the surface of the SiO2 matrix. The synthesis process involved the utilization of activated carbon, which played a dual role as a support for depositing the CoFe2O4 and TiO2 nanoparticles and as a rigid pattern for producing the silica matrix that enmeshed the nanoparticles. To study the unique characteristics of the samples, a range of analytical techniques, such as FT-IR, VSM, XRD, SEM, N2 adsorption–desorption analysis, BET and EDX were employed. We carried out a complete examination of the catalytic performance of the TiO2/CoFe2O4/SiO2 nanocomposite for the reduction of different substances, including methyl orange (MO), safranin O (SO), methylene blue (MB), rhodamine B (RhB), chromium (VI) ions, and nitroaromatic compounds such as 2-nitrophenol (2-NP), 4-nitroaniline (4-NA), 2-nitroaniline (2-NA), and 4-nitrophenol (4-NP). The findings of our study demonstrate the remarkable efficacy of the TiO2/CoFe2O4/SiO2 nanocomposite in efficiently reducing dyes, Cr (VI), and nitroaromatic compounds to their desired forms in environmentally friendly aqueous solutions. Notably, the nanocomposite stands out due to its simple synthesis process, effortless recyclability, and its convenient separation by a magnet.

利用溶胶-凝胶法和水热法成功合成了一种新型 TiO2/CoFe2O4/SiO2 磁性纳米复合材料。这种纳米复合材料由高度分散在二氧化硅基体表面的 CoFe2O4 和 TiO2 纳米颗粒组成。合成过程中使用了活性炭,活性炭具有双重作用,既是沉积 CoFe2O4 和 TiO2 纳米粒子的支撑物,又是生成包覆纳米粒子的二氧化硅基体的刚性图案。为了研究样品的独特特性,我们采用了一系列分析技术,如傅立叶变换红外光谱、可见分光光度计、X 射线衍射、扫描电镜、N2 吸附-解吸分析、BET 和 EDX。我们对 TiO2/CoFe2O4/SiO2 纳米复合材料还原不同物质(包括甲基橙 (MO)、黄花苷 O (SO)、亚甲基蓝 (MB)、罗丹明 B (RhB)、铬 (VI) 离子以及硝基芳香族化合物,如 2-硝基苯酚 (2-NP)、4-硝基苯胺 (4-NA)、2-硝基苯胺 (2-NA) 和 4-硝基苯酚 (4-NP)。我们的研究结果表明,TiO2/CoFe2O4/SiO2 纳米复合材料在环境友好型水溶液中能有效地将染料、六价铬和硝基芳香化合物还原成所需的形式。值得注意的是,这种纳米复合材料因其简单的合成过程、毫不费力的可回收性和方便的磁铁分离而脱颖而出。
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引用次数: 0
DNA Interaction, Molecular Docking, Antimicrobial, Anticancer and Thermal Studies of Ternary Metal Complexes of N-Methylbenzylamine and Ethylenediamine N-甲基苄胺和乙二胺三元金属配合物的 DNA 相互作用、分子对接、抗菌、抗癌和热研究
IF 3.7 2区 化学 Q2 CHEMISTRY, APPLIED Pub Date : 2024-08-31 DOI: 10.1002/aoc.7706
Srinivas Kore, Sravanthi Maddikayala, Kavitha Bengi, Saritha Reddy Pulimamidi

N-Methylbenzylamine and ethylenediamine were utilized as primary and auxiliary ligands, respectively, alongside metal salts to synthesize ternary metal complexes: [FeCl3(Nmba)(en)], [CoCl2(Nmba)(en)(H2O)] and [CuCl2(Nmba)(en)(H2O)]. These complexes were thoroughly characterized using spectral and analytical techniques, revealing an octahedral geometry for all. Coats–Redfern calculations indicated their non-spontaneous nature yet highlighted their thermal stability. DNA binding studies unveiled a groove binding mode for the complexes, with intrinsic binding constants (Kb) and Stern–Volmer quenching constant (Ksq) supporting their strong binding capabilities. Nuclease activity against pBR322 was assessed through gel electrophoresis. Additionally, docking studies using AutoDock 4.2 software provided insights into their binding affinities. In terms of biological activities, the Cu complex demonstrated superior cytotoxicity and antibacterial and antifungal properties compared to the other ternary metal complexes. This suggests its potential for further exploration in biomedical applications.

N 甲基苄胺和乙二胺分别作为主要配体和辅助配体,与金属盐一起合成了三元金属配合物:[FeCl3(Nmba)(en)]、[CoCl2(Nmba)(en)(H2O)] 和 [CuCl2(Nmba)(en)(H2O)]。利用光谱和分析技术对这些复合物进行了全面表征,发现所有复合物都具有八面体几何结构。Coats-Redfern 计算表明了它们的非自发性质,同时也突出了它们的热稳定性。DNA 结合研究揭示了这些复合物的沟槽结合模式,其内在结合常数(Kb)和 Stern-Volmer 淬火常数(Ksq)证明了它们强大的结合能力。通过凝胶电泳评估了针对 pBR322 的核酸酶活性。此外,使用 AutoDock 4.2 软件进行的对接研究也有助于深入了解它们的结合亲和力。在生物活性方面,与其他三元金属复合物相比,铜复合物具有更强的细胞毒性、抗菌性和抗真菌性。这表明它在生物医学应用方面具有进一步开发的潜力。
{"title":"DNA Interaction, Molecular Docking, Antimicrobial, Anticancer and Thermal Studies of Ternary Metal Complexes of N-Methylbenzylamine and Ethylenediamine","authors":"Srinivas Kore,&nbsp;Sravanthi Maddikayala,&nbsp;Kavitha Bengi,&nbsp;Saritha Reddy Pulimamidi","doi":"10.1002/aoc.7706","DOIUrl":"10.1002/aoc.7706","url":null,"abstract":"<div>\u0000 \u0000 <p>N-Methylbenzylamine and ethylenediamine were utilized as primary and auxiliary ligands, respectively, alongside metal salts to synthesize ternary metal complexes: [FeCl<sub>3</sub>(Nmba)(en)], [CoCl<sub>2</sub>(Nmba)(en)(H<sub>2</sub>O)] and [CuCl<sub>2</sub>(Nmba)(en)(H<sub>2</sub>O)]. These complexes were thoroughly characterized using spectral and analytical techniques, revealing an octahedral geometry for all. Coats–Redfern calculations indicated their non-spontaneous nature yet highlighted their thermal stability. DNA binding studies unveiled a groove binding mode for the complexes, with intrinsic binding constants (K<sub>b</sub>) and Stern–Volmer quenching constant (K<sub>sq</sub>) supporting their strong binding capabilities. Nuclease activity against pBR322 was assessed through gel electrophoresis. Additionally, docking studies using AutoDock 4.2 software provided insights into their binding affinities. In terms of biological activities, the Cu complex demonstrated superior cytotoxicity and antibacterial and antifungal properties compared to the other ternary metal complexes. This suggests its potential for further exploration in biomedical applications.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"38 12","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142187657","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
Unveiling the Synergistic Role of Ferroelectric Polarization and Z-Scheme Heterojunction in Bi2Fe4O9/Carbon-Deficient g-C3N4 for Enhanced Methylene Blue Degradation Efficiency 揭示 Bi2Fe4O9/缺碳 g-C3N4 中铁电极化和 Z 型异质结在提高亚甲基蓝降解效率方面的协同作用
IF 3.7 2区 化学 Q2 CHEMISTRY, APPLIED Pub Date : 2024-08-31 DOI: 10.1002/aoc.7683
Xing Liang, Guojian Jiang, Chugeng Huang, Zizhou Xiong, Xiongjun Wu

Enhancing the efficiency of charge carrier separation is crucial for improving the performance of photocatalysts, thereby offering more effective solutions to energy and environmental pollution challenges. In this study, a carbon-deficient ultra-thin porous g-C3N4 (Vc-UPCN) was synthesized and subsequently was integrated with Bi2Fe4O9 (BFO) using a sonochemical self-assembly technique, a Bi2Fe4O9/Vc-UPCN (BC) photocatalyst featuring a Z-scheme heterojunction. The BC catalyst was subjected to corona poling treatment to obtain BCp, which possesses an intrinsic electric field. Compared with pure BFO and Vc-UPCN, the BC heterojunction exhibited higher photo-generated electron–hole separation efficiency and photodegradation ability. Upon introduction of corona polarization, the photocatalytic performance of BC was further enhanced. Specifically, BCp-15 (BFO/BC mass fraction = 15) achieved complete degradation of methylene blue (MB) within 30 min. BCp-15 demonstrated that its degradation efficiency for MB was 1.28 times higher than that of BC-15, 1.85 times higher than that of Vc-UPCN, and impressive 7.69 times higher than that of pure BFO. The coupling effect of the heterojunction and ferroelectric polarization significantly improved the separation efficiency of photo-generated carriers in BCp. This study is expected to provide a reference for the synergistic application of heterojunction and ferroelectric polarization in traditional semiconductor photocatalysis.

提高电荷载流子分离效率对于改善光催化剂的性能至关重要,从而为能源和环境污染问题提供更有效的解决方案。本研究合成了缺碳的超薄多孔 g-C3N4 (Vc-UPCN),随后利用声化学自组装技术将其与 Bi2Fe4O9 (BFO) 集成,得到了具有 Z 型异质结的 Bi2Fe4O9/Vc-UPCN (BC) 光催化剂。BC 催化剂经过电晕极化处理后,得到了具有本征电场的 BCp。与纯 BFO 和 Vc-UPCN 相比,BC 异质结表现出更高的光生电子-空穴分离效率和光降解能力。引入电晕极化后,BC 的光催化性能进一步提高。具体来说,BCp-15(BFO/BC 质量分数 = 15)可在 30 分钟内完全降解亚甲基蓝(MB)。BCp-15 对甲基溴的降解效率是 BC-15 的 1.28 倍,是 Vc-UPCN 的 1.85 倍,是纯 BFO 的 7.69 倍,令人印象深刻。异质结和铁电极化的耦合效应显著提高了 BCp 中光生载流子的分离效率。该研究有望为异质结和铁电极化在传统半导体光催化中的协同应用提供参考。
{"title":"Unveiling the Synergistic Role of Ferroelectric Polarization and Z-Scheme Heterojunction in Bi2Fe4O9/Carbon-Deficient g-C3N4 for Enhanced Methylene Blue Degradation Efficiency","authors":"Xing Liang,&nbsp;Guojian Jiang,&nbsp;Chugeng Huang,&nbsp;Zizhou Xiong,&nbsp;Xiongjun Wu","doi":"10.1002/aoc.7683","DOIUrl":"10.1002/aoc.7683","url":null,"abstract":"<div>\u0000 \u0000 <p>Enhancing the efficiency of charge carrier separation is crucial for improving the performance of photocatalysts, thereby offering more effective solutions to energy and environmental pollution challenges. In this study, a carbon-deficient ultra-thin porous g-C<sub>3</sub>N<sub>4</sub> (Vc-UPCN) was synthesized and subsequently was integrated with Bi<sub>2</sub>Fe<sub>4</sub>O<sub>9</sub> (BFO) using a sonochemical self-assembly technique, a Bi<sub>2</sub>Fe<sub>4</sub>O<sub>9</sub>/Vc-UPCN (<span>BC</span>) photocatalyst featuring a Z-scheme heterojunction. The <span>BC</span> catalyst was subjected to corona poling treatment to obtain <span>BC</span>p, which possesses an intrinsic electric field. Compared with pure BFO and Vc-UPCN, the BC heterojunction exhibited higher photo-generated electron–hole separation efficiency and photodegradation ability. Upon introduction of corona polarization, the photocatalytic performance of <span>BC</span> was further enhanced. Specifically, <span>BC</span>p-15 (BFO/BC mass fraction = 15) achieved complete degradation of methylene blue (MB) within 30 min. BCp-15 demonstrated that its degradation efficiency for MB was 1.28 times higher than that of BC-15, 1.85 times higher than that of Vc-UPCN, and impressive 7.69 times higher than that of pure BFO. The coupling effect of the heterojunction and ferroelectric polarization significantly improved the separation efficiency of photo-generated carriers in BCp. This study is expected to provide a reference for the synergistic application of heterojunction and ferroelectric polarization in traditional semiconductor photocatalysis.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"38 11","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142187656","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
A Review on Synthesis and Biological Activities of 2-Aminophenol-Based Schiff Bases and Their Transition Metal Complexes 基于 2-氨基苯酚的席夫碱及其过渡金属配合物的合成与生物活性综述
IF 3.7 2区 化学 Q2 CHEMISTRY, APPLIED Pub Date : 2024-08-31 DOI: 10.1002/aoc.7724
Md. Sohel Rana, Md. Azharul Islam, Md. Shohidul Islam, Md. Shaharul Sarafi, Md. Kudrat-E-Zahan, Md. Faruk Hossen, Md. Ali Asraf

2-Aminophenol-based Schiff bases and their metal complexes have drawn a lot of interest because of their wide range of biological activity and their uses in several fields. These Schiff bases are synthesized through the condensation of 2-aminophenol and various carbonyl compounds, and metal complexes formed easily by coordinating Schiff bases with transition metal ions possess a wide range of intriguing properties that have rendered them promising candidates in biomedical research. These compounds have a diverse array of captivating biological properties including antibacterial, antifungal, anticancer, and antioxidant actions. Their versatile nature and potential for tailored modifications hold the promise for innovative biomedical applications. Compared to standard antibiotics and other studied compounds, C2, C8C11, and C116 complexes, along with L16 and L17 ligands, exhibit the highest antibacterial activity, while C3 and C115 complexes demonstrate the highest antifungal activity. The metal chelate formation of the ligands enhanced the antimicrobial activity by increasing their lipophilic nature. C66, C76, and C112 complexes and L39 ligand showed higher anticancer activity than standard anticancer drugs. The metal complexes have higher anticancer activity than the ligand due to improved permeability and cellular uptake. The anticancer activity of the complexes is related to the substituents of the Schiff base ligands. In compounds containing an electron-withdrawing group (e.g., Cl or Br or NO2), the activity is obviously better than others. Ligands L1L3 and L5, L6, and L32 demonstrated the most potent antioxidant activity, surpassing both metal complexes and standard conventional antioxidants. The ligands showed greater antioxidant activity than the metal complexes due to their capability of donating free protons to scavenge free radicals. More study is needed to fully explore the potential of 2-aminophenol-based Schiff bases and their transition metal complexes for the development of new drugs. This review summarizes different synthetic methods, biological activities, and the structure–activity relationship. This study aims to conduct further research on 2-aminophenol-based Schiff bases and their metal complexes.

2- 氨基苯酚基希夫碱及其金属配合物因其广泛的生物活性和在多个领域的用途而备受关注。这些希夫碱是通过 2-氨基苯酚和各种羰基化合物缩合合成的,而希夫碱与过渡金属离子配位后很容易形成金属配合物,这些配合物具有各种令人感兴趣的特性,使它们成为生物医学研究中的理想候选化合物。这些化合物具有多种迷人的生物特性,包括抗菌、抗真菌、抗癌和抗氧化作用。它们的多功能性和定制修饰的潜力为创新生物医学应用带来了希望。与标准抗生素和其他研究化合物相比,C2、C8-C11 和 C116 复合物以及 L16 和 L17 配体表现出最高的抗菌活性,而 C3 和 C115 复合物则表现出最高的抗真菌活性。配体形成的金属螯合物提高了它们的亲脂性,从而增强了抗菌活性。与标准抗癌药物相比,C66、C76 和 C112 复合物以及 L39 配体显示出更高的抗癌活性。金属复合物比配体具有更高的抗癌活性,这是因为它们的渗透性和细胞吸收能力得到了改善。配合物的抗癌活性与希夫碱配体的取代基有关。在含有夺电子基团(如 Cl 或 Br 或 NO2)的化合物中,其活性明显优于其他化合物。配体 L1-L3 和 L5、L6 和 L32 显示出了最强大的抗氧化活性,超过了金属复合物和标准的传统抗氧化剂。配体之所以比金属复合物具有更强的抗氧化活性,是因为它们能够捐献自由质子来清除自由基。要充分发掘基于 2-氨基苯酚的席夫碱及其过渡金属配合物在开发新药方面的潜力,还需要进行更多的研究。本综述总结了不同的合成方法、生物活性以及结构-活性关系。本研究旨在对 2-氨基苯酚基希夫碱及其金属配合物开展进一步研究。
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引用次数: 0
Availability of π–Cation Radical in the Oxidative Products of Oxidovanadium Porphyrin: Significance for DNA Binding and Antibacterial Activity 氧化钒卟啉氧化产物中的π阳离子自由基:对 DNA 结合和抗菌活性的意义
IF 3.7 2区 化学 Q2 CHEMISTRY, APPLIED Pub Date : 2024-08-29 DOI: 10.1002/aoc.7722
Ijaz Ullah Muzaddadi, Arumugam Murugan, Shankhadeep Saha, Natarajan Raman, Freeda Selva Sheela Selvaraj, Arumugam Manohar, Antonysamy Kulandaisamy, Pradeep Kumar, Rituraj Borah, Muthaiah Shellaiah, C. R. Ravikumar, Mohammad Farid Hussain

Oxidovanadium meso-tetrakis(3,4,5-trimethoxyphenyl) porphyrin [VO(T(OMe)3PP)] (Complex 1) was prepared. The oxidation product of Complex 1 has been characterized by cyclic voltammetry (CV), UV–visible spectrophotometer, electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) by the addition of SbCl5 to Complex 1. There is a one-electron oxidation product in Complex 1 that creates π–cation radicals in CV data. This is supported by an IR spectrophotometer. Subsequent EPR spectra verified the initiation of the π–cation monoradical, which subsequently transforms into a triplet state where S = 1. DNA binding and antibacterial analysis with Complex 1 have also been analysed. In the DNA-binding analysis, the CV data confirm the interaction between Complex 1 and DNA. Furthermore, the fact that Complex 1 is more effective at killing bacteria shows that the metal ion's chelation with the porphyrin ligand makes it more lipophilic.

制备了氧化钒介-四(3,4,5-三甲氧基苯基)卟啉[VO(T(OMe)3PP)](络合物 1)。通过在络合物 1 中加入 SbCl5,用循环伏安法(CV)、紫外-可见分光光度计、电子顺磁共振(EPR)和核磁共振(NMR)对络合物 1 的氧化产物进行了表征。在 CV 数据中,络合物 1 中存在一个单电子氧化产物,该产物会产生 π-阳离子自由基。红外分光光度计证实了这一点。随后的 EPR 光谱验证了 π-阳离子单二价的启动,随后转变为 S = 1 的三重态。还对复合物 1 进行了 DNA 结合和抗菌分析。在 DNA 结合分析中,CV 数据证实了复合物 1 与 DNA 之间的相互作用。此外,复合物 1 能更有效地杀死细菌这一事实表明,金属离子与卟啉配体的螯合作用使其更具亲脂性。
{"title":"Availability of π–Cation Radical in the Oxidative Products of Oxidovanadium Porphyrin: Significance for DNA Binding and Antibacterial Activity","authors":"Ijaz Ullah Muzaddadi,&nbsp;Arumugam Murugan,&nbsp;Shankhadeep Saha,&nbsp;Natarajan Raman,&nbsp;Freeda Selva Sheela Selvaraj,&nbsp;Arumugam Manohar,&nbsp;Antonysamy Kulandaisamy,&nbsp;Pradeep Kumar,&nbsp;Rituraj Borah,&nbsp;Muthaiah Shellaiah,&nbsp;C. R. Ravikumar,&nbsp;Mohammad Farid Hussain","doi":"10.1002/aoc.7722","DOIUrl":"10.1002/aoc.7722","url":null,"abstract":"<div>\u0000 \u0000 <p>Oxidovanadium <i>meso</i>-tetrakis(3,4,5-trimethoxyphenyl) porphyrin [VO(T(OMe)3PP)] (Complex <b>1</b>) was prepared. The oxidation product of Complex <b>1</b> has been characterized by cyclic voltammetry (CV), UV–visible spectrophotometer, electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) by the addition of SbCl<sub>5</sub> to Complex <b>1</b>. There is a one-electron oxidation product in Complex <b>1</b> that creates π–cation radicals in CV data. This is supported by an IR spectrophotometer. Subsequent EPR spectra verified the initiation of the π–cation monoradical, which subsequently transforms into a triplet state where <i>S</i> = 1. DNA binding and antibacterial analysis with Complex <b>1</b> have also been analysed. In the DNA-binding analysis, the CV data confirm the interaction between Complex <b>1</b> and DNA. Furthermore, the fact that Complex <b>1</b> is more effective at killing bacteria shows that the metal ion's chelation with the porphyrin ligand makes it more lipophilic.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"38 12","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142187663","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
Preparation and Properties of 3D Spherical Bi2S3/Bi2O2CO3 Photocatalytic Materials Self-Assembled by 2D Nanosheets 二维纳米片自组装的三维球形 Bi2S3/Bi2O2CO3 光催化材料的制备及其特性
IF 3.7 2区 化学 Q2 CHEMISTRY, APPLIED Pub Date : 2024-08-29 DOI: 10.1002/aoc.7727
Ce Zhou, Xiao-li Wang, Hui Yu, Ming Yang, Xiang-ting Dong, Ying Yang

The micro-morphology of photocatalytic materials has a great influence on their photocatalytic performance. Quantum dots can provide the plasmon resonance effect and broaden the wavelength range of light absorption. In this study, a kind of 3D spherical flower-like structure was constructed by self-assembly of 2D nanosheets, the Bi2S3 particles with 5 ± 1 nm diameter were modified on the surfaces of Bi2O2CO3 nanosheets to prepare the Bi2S3/Bi2O2CO3 composite. The energy level difference (0.45 eV) between the conduction bands (CB) of Bi2S3 and Bi2O2CO3 led to which the e was transferred to CB of Bi2O2CO3. The energy level difference (0.83 eV) between the CB of Bi2O2CO3 and the valence band (VB) of Bi2S3 was much smaller than the band gap (1.28 eV) of Bi2S3, and it led to which the electrons on the CB of Bi2O2CO3 were recombined with the holes on the VB of Bi2S3. A kind of innovative type heterojunction was constructed between Bi2S3 and Bi2O2CO3, which encouraged the photogenerated h+ and ·OH to be located on the VB of Bi2O2CO3 with the strongest oxidation potential, the prepared material showed excellent performance for the photodegradation of RhB, and the active groups were also controlled in the photocatalysis process.

光催化材料的微观形态对其光催化性能有很大影响。量子点可以提供等离子体共振效应,拓宽光吸收的波长范围。本研究通过二维纳米片的自组装构建了一种三维球花状结构,将直径为 5 ± 1 nm 的 Bi2S3 粒子修饰在 Bi2O2CO3 纳米片表面,制备了 Bi2S3/Bi2O2CO3 复合材料。Bi2S3 和 Bi2O2CO3 传导带 (CB) 之间的能级差(0.45 eV)导致电子转移到 Bi2O2CO3 的 CB 上。Bi2O2CO3 的导带(CB)与 Bi2S3 的价带(VB)之间的能级差(0.83 eV)远小于 Bi2S3 的带隙(1.28 eV),导致 Bi2O2CO3 的 CB 上的电子与 Bi2S3 的 VB 上的空穴重新结合。在 Bi2S3 和 Bi2O2CO3 之间构建了一种创新型异质结,促使光生的 h+ 和 -OH 位于氧化电位最强的 Bi2O2CO3 的 VB 上,制备的材料在光降解 RhB 方面表现出优异的性能,而且在光催化过程中活性基团也得到了控制。
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引用次数: 0
Comparison of Free-Hydroxy With 3′,5′-Di-O-Acetyl Ribose of 5-Alkynyl Dicobalt Hexacarbonyl 2′-Deoxy-Furopyrimidines Hybrids: Synthesis, Antiproliferative Activity, and ROS Determination 5-炔基二钴六羰基 2′-脱氧呋喃嘧啶杂环的自由羟基与 3′,5′-二-O-乙酰基核糖的比较:合成、抗增殖活性和 ROS 测定
IF 3.7 2区 化学 Q2 CHEMISTRY, APPLIED Pub Date : 2024-08-29 DOI: 10.1002/aoc.7695
Renata Kaczmarek, Ewa Radzikowska-Cieciura, Karolina Królewska-Golińska, Graciela Andrei, Robert Snoeck, Rafał Dolot, Kraig A. Wheeler, Dominic Agyei Gyimah, Susan Yang, Roman Dembinski

Synthesis of 5-alkynyl furopyrimidine nucleoside analogs, with free-ribose groups, was carried out, and their biological activity was evaluated. The substituents introduced at the C-5 included propargyl and homopropargyl alcohols, 4-methylphenyl (p-tolyl), and 4-pentylphenyl substituted alkynyl groups (56%–88%). Subsequently, alkyne function was coordinated to dicobalt hexacarbonyl unit, yielding the corresponding dicobalt hexacarbonyl 5-alkynyl furopyrimidine nucleosides (51%–75%). All compounds contained 4-pentylphenyl group attached at the C-6 position of the bicyclic base, in line with most active antiviral structures. The antiproliferative effect of these modified nucleosides on cancer cells of different phenotypes was determined using in vitro studies. The tested compounds show antiproliferative effects with median inhibitory concentration (IC50) values of 16–23 and 9–15 μM for HeLa and K562 cells, respectively. The determination of reactive oxygen species (ROS) formation in K562 cells in the presence of modified nucleosides may suggest that the mode of action of the examined compounds may be attributed to the induction of oxidative stress.

我们合成了带有游离核糖基团的 5-炔基呋喃嘧啶核苷类似物,并对其生物活性进行了评估。在 C-5 端引入的取代基包括丙炔醇和均丙炔醇、4-甲基苯基(对甲苯基)和 4-戊基苯基取代的炔基(56%-88%)。随后,炔功能与二钴六羰基单元配位,得到相应的二钴六羰基 5-炔基呋喃嘧啶核苷(51%-75%)。所有化合物都含有连接在双环基 C-6 位上的 4-戊基苯基,这与最有效的抗病毒结构一致。通过体外研究确定了这些修饰核苷对不同表型癌细胞的抗增殖作用。受测化合物具有抗增殖作用,对 HeLa 和 K562 细胞的中位抑制浓度 (IC50) 值分别为 16-23 和 9-15 μM。经修饰的核苷存在时 K562 细胞中活性氧(ROS)形成的测定结果表明,受试化合物的作用模式可能是诱导氧化应激。
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引用次数: 0
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Applied Organometallic Chemistry
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