Inorganica Chimica Acta最新文献

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Near-infrared luminescence in different conjugate ancillary ligands erbium(III) complexes with via ligand and metal centred excitation 通过配体和金属中心激发的不同共轭配体铒配合物的近红外发光
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-04-15 DOI: 10.1016/j.ica.2025.122717
Xiqiang Tian , Yanping Dong , Xiaoyu Zhao , Shoulei Huang , Keda Wang
{"title":"Near-infrared luminescence in different conjugate ancillary ligands erbium(III) complexes with via ligand and metal centred excitation","authors":"Xiqiang Tian ,&nbsp;Yanping Dong ,&nbsp;Xiaoyu Zhao ,&nbsp;Shoulei Huang ,&nbsp;Keda Wang","doi":"10.1016/j.ica.2025.122717","DOIUrl":"10.1016/j.ica.2025.122717","url":null,"abstract":"<div><div>Four mononuclear <em>β</em>-diketone compounds with near-infrared (NIR) luminescence characteristics were synthesized and characterized by changing the ancillary ligand of different conjugated structures. The central erbium(III) ion coordinates with three <em>β</em>-diketone (1-(1-ethyl-1H-indol-3-yl)-4,4,4-trifluorobutane-1,3-dione (EIFD)) ligands and one acetone (<strong>1</strong>), one 1,10-phenanthroline (phen) (<strong>2</strong>), one dipyrazine [2,3-f: 2′,3′-h] quinoxaline (dpq) (<strong>3</strong>), one dipyrido [3,2-a:2′,3′-c] phenazine (dppz) (<strong>4</strong>), respectively. The crystal structures of compounds <strong>1</strong>–<strong>4</strong> with the erbium(III) ions of seven (<strong>1</strong>)/eight (<strong>2</strong>–<strong>4</strong>) coordinated configuration are determined by single-crystal X-ray diffraction. The NIR luminescence properties of compounds <strong>1</strong>–<strong>4</strong> were experimentally investigated by replacing the solvent acetone with nitrogen-containing ancillary ligands such as phen, dpq and dppz. This study investigates the emission lifetimes of the central Er(III) ions in these compounds.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122717"},"PeriodicalIF":2.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143839140","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Regulation of AIE activity of bis(4-ethylphenylethynyl)platinum(II) complex based on 4,4′-divinyl-2,2′-bipyridine ligand and its application in the development of “turn-on” type Ag+ luminescent probe 4,4′-二乙烯基-2,2′-联吡啶配体对双(4-乙基苯基乙炔基)铂(II)配合物AIE活性的调控及其在“开启”型Ag+发光探针开发中的应用
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-04-15 DOI: 10.1016/j.ica.2025.122719
Mengmeng Cai, Bolun Zhang, Jianjun Zhang, Jun Ni
{"title":"Regulation of AIE activity of bis(4-ethylphenylethynyl)platinum(II) complex based on 4,4′-divinyl-2,2′-bipyridine ligand and its application in the development of “turn-on” type Ag+ luminescent probe","authors":"Mengmeng Cai,&nbsp;Bolun Zhang,&nbsp;Jianjun Zhang,&nbsp;Jun Ni","doi":"10.1016/j.ica.2025.122719","DOIUrl":"10.1016/j.ica.2025.122719","url":null,"abstract":"<div><div>Three Pt (II)-based complexes, Pt(DiVbpy)(C≡CC<sub>6</sub>H<sub>4</sub>Et-4)<sub>2</sub> <strong>(1)</strong>, {Ag[Pt(DiVbpy)(C≡CC<sub>6</sub>H<sub>4</sub>Et-4)<sub>2</sub>]<sub>2</sub>}NO<sub>3</sub> <strong>(2)</strong> and Ag[Pt(DiVbpy)(C≡CC<sub>6</sub>H<sub>4</sub>Et-4)<sub>2</sub>]NO<sub>3</sub> <strong>(3)</strong> based on 4,4′-divinyl-2,2′-bipyridine (DiVbpy) and 4-ethylphenylacetylene ligands were designed and synthesized. Complex <strong>1</strong> displays an orange luminescence in CH<sub>2</sub>Cl<sub>2</sub> solution arising from the<sup>1</sup>MLCT and<sup>1</sup>LLCT transitions and shows a weak AIE activity. In CH<sub>2</sub>Cl<sub>2</sub> solution, <strong>3</strong> emits a stronger luminescence and shows a superior AIE activity compared to <strong>1</strong>. In contrast, complex <strong>2</strong>, which has a similar composition to <strong>3</strong>, exhibits weak luminescence in CH<sub>2</sub>Cl<sub>2</sub> solution and lacks AIE activity. Through systematic research on the structure, luminescent properties, and results of theoretical calculations, we found that the introduction of AgNO<sub>3</sub> to restrict the free rotation of molecular groups and control the distance between adjacent molecules may be one of the strategies to promote the AIE-active of diimine Pt(II) bis(σ-acetylide) complex. In addition, based on the unique properties of <strong>2</strong>, a “turn-on” type luminescent probe for detecting Ag<sup>+</sup> was designed and developed.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122719"},"PeriodicalIF":2.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 dual functional Schiff base: Selective sensing of V(III) and Sn(II) and antibacterial evaluation via molecular docking 双功能席夫碱基:V(III)和Sn(II)的选择性传感和通过分子对接的抗菌评价
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-04-14 DOI: 10.1016/j.ica.2025.122708
Gurjaspreet Singh, Karampreet Kaur, Pooja Malik, Manraj Singh, Parul, Vandana Sharma, Harshbir Kaur, Abhi, Amarjit Kaur
{"title":"A dual functional Schiff base: Selective sensing of V(III) and Sn(II) and antibacterial evaluation via molecular docking","authors":"Gurjaspreet Singh,&nbsp;Karampreet Kaur,&nbsp;Pooja Malik,&nbsp;Manraj Singh,&nbsp;Parul,&nbsp;Vandana Sharma,&nbsp;Harshbir Kaur,&nbsp;Abhi,&nbsp;Amarjit Kaur","doi":"10.1016/j.ica.2025.122708","DOIUrl":"10.1016/j.ica.2025.122708","url":null,"abstract":"<div><div>A new Schiff base (BASB) was successfully created and characterized in this study employing mass spectrometry, FT-IR spectroscopy, <sup>1</sup>H NMR and <sup>13</sup>C NMR techniques. BASB probe exhibited selective detection of Sn(II) and V(III) in the presence of competing metal, demonstrating negligible interference. The probe exhibited low detection limits of 16.7 × 10<sup>−7</sup> M for Sn(II) and 85 × 10<sup>−8</sup> M for V(III). Additionally, it demonstrated good association constant values of 0.19 × 10<sup>4</sup> M<sup>−1</sup> for Sn(II) and 0.26 × 10<sup>5</sup> M<sup>−1</sup> for V(III). The metal-ligand interaction stoichiometry, demonstrated by Job's plot analysis, verified a 1:1 complexation ratio between both metal and BASB. The formation of Sn(II)-BASB and V(III)-BASB complexes was further validated through <sup>1</sup>H NMR and FT-IR spectral analysis.</div><div>Beyond its sensing capabilities, the bacterial inhibition of BASB was explored via molecular docking against two strains of <em>E. coli</em>. The results were compared with Amoxicillin, a commonly used antibacterial drug and demonstrated the promising antibacterial activity of BASB. These findings highlight the dual-functional nature of BASB as both a highly selective metal sensor and a potential antibacterial agent, making it a valuable candidate for environmental and biomedical applications.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122708"},"PeriodicalIF":2.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844987","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Azo-phenolate vs. carboxylate: (N, O)-Sn bonding advantage in stability and antibacterial activity of Dimethyltin(IV) explored via DFT and molecular docking 偶氮酚酸盐与羧酸盐:通过DFT和分子对接探讨(N, O)-Sn键在二甲基锡(IV)稳定性和抗菌活性方面的优势
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-04-14 DOI: 10.1016/j.ica.2025.122714
Debasree Chakraborty , Swarup Biswas , Arnab Bhattacharya , Manojit Roy , Mitali Saha
{"title":"Azo-phenolate vs. carboxylate: (N, O)-Sn bonding advantage in stability and antibacterial activity of Dimethyltin(IV) explored via DFT and molecular docking","authors":"Debasree Chakraborty ,&nbsp;Swarup Biswas ,&nbsp;Arnab Bhattacharya ,&nbsp;Manojit Roy ,&nbsp;Mitali Saha","doi":"10.1016/j.ica.2025.122714","DOIUrl":"10.1016/j.ica.2025.122714","url":null,"abstract":"<div><div>This study presents investigations on a dimethyltin(IV) complex of 4-(2,4-dihydroxy-phenylazo)-benzoic acid. The primary focus is on the comparative stability of its azo-phenolate (N, O)-Sn and carboxylate (COO)-Sn bonded structural isomers. Analytical techniques, including multinuclear NMR, FT-IR, and DFT, identify the 5-membered (N, O)-Sn 4-coordinate distorted tetrahedral structure as the most stable isomer in solution. The complex demonstrates broad-spectrum activity across both Gram-negative and Gram-positive bacteria with inhibition zones of 8 mm (<em>K. pneumoniae</em>), 14 mm (<em>V. cholerae</em>), 19.3 mm (<em>S. aureus</em>), and 10.7 mm (<em>S. pneumoniae</em>). In comparison, standard antibiotics – Gentamycin and Vancomycin- are inactive against Gram-positive and Gram-negative bacteria, respectively. Molecular docking analyses reveal that the complex effectively binds to the active sites of bacterial enzymes Hibernation-Promoting Factor and Autolysin E. This leads to the disruption of bacterial survival under stress. Overall, this research establishes the stability and antibacterial potential of (N, O)-Sn complexes—an area not previously investigated.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122714"},"PeriodicalIF":2.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850866","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Bisbenzimidazole silver(I) complexes regulated by aromatic polycarboxylates as electrocatalysts for hydrogen evolution reaction 芳香聚羧酸调控的双苯并咪唑银(I)配合物作为析氢反应的电催化剂
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-04-11 DOI: 10.1016/j.ica.2025.122693
Nannan Huang, Yueyue Xie, Quanlong Cai, Yuanyue Ma, Junjie Teng, Huilu Wu
{"title":"Bisbenzimidazole silver(I) complexes regulated by aromatic polycarboxylates as electrocatalysts for hydrogen evolution reaction","authors":"Nannan Huang,&nbsp;Yueyue Xie,&nbsp;Quanlong Cai,&nbsp;Yuanyue Ma,&nbsp;Junjie Teng,&nbsp;Huilu Wu","doi":"10.1016/j.ica.2025.122693","DOIUrl":"10.1016/j.ica.2025.122693","url":null,"abstract":"<div><div>In this study, two new silver(I) complexes with different structures of [Ag<sub>2</sub>(3Py-bbs)<sub>2</sub>(BDC)]·2H<sub>2</sub>O (<strong>1</strong>), {[Ag<sub>2</sub>(3Py-bbs)<sub>2</sub>](HBTC)·4CH<sub>3</sub>CN·H<sub>2</sub>O}<sub>n</sub> (<strong>2</strong>) (3Py-bbs = bis[1-(pyridin-3-ylmethyl)-benzimidazol-2-ylmethyl] sulfane, H<sub>2</sub>BDC = terephthalic acid, H<sub>3</sub>BTC = trimesic acid) were synthesized by the regulation of aromatic polycarboxylic acids. The single-crystal X-ray diffraction analysis shows that the complex <strong>1</strong> is a binuclear structure, while the complex <strong>2</strong> is a one-dimensional ring-chain structure. The electrocatalytic hydrogen evolution reaction (HER) performance of silver(I) complexes <strong>1</strong> and <strong>2</strong> modified glassy carbon electrodes (1-GCE and 2-GCE) were investigated in 0.5 M H<sub>2</sub>SO<sub>4</sub>. The overpotential (<em>η</em><sub>10</sub><sup>298K</sup>) and Tafel slope (<em>b</em> <sup>298K</sup>) are −941 mV and 278 mV·dec<sup>−1</sup> for bare-GCE, −763 mV and 267 mV·dec<sup>−1</sup> for 1-GCE, −741 mV and 182 mV·dec<sup>−1</sup> for 2-GCE, respectively. The <em>η</em><sub>10</sub><sup>298K</sup> and <em>b</em><sup>298K</sup> of 1–2-GCE were significantly positive shifted and decreased compared with the bare-GCE, indicating that 1–2-GCE have good electrocatalytic HER activity and activity order is 2-GCE &gt; 1-GCE, which is attributed to the difference in the skeleton structure of silver(I) complexes, that is, because of the well-dispersed metal center of the coordination polymer <strong>2</strong>. The present work provides new ideas into the development of non-precious metal complexes as modified electrode materials in electrocatalysis.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122693"},"PeriodicalIF":2.7,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143825990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Solvent extraction of TODGA in the presence of phase modifiers of TBP, n-octanol, and DHOA dissolved in n-dodecane: Thermodynamics, kinetics and aggregation studies TBP、正辛醇和溶解于正十二烷中的DHOA相改性剂存在下TODGA的溶剂萃取:热力学、动力学和聚集研究
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-04-11 DOI: 10.1016/j.ica.2025.122710
Xingyue Liu, Xuanhao Huang, Yiting Wang, Zhuang Wang, Qiao Yu, Hang Zhou, Rui Li, Songdong Ding
{"title":"Solvent extraction of TODGA in the presence of phase modifiers of TBP, n-octanol, and DHOA dissolved in n-dodecane: Thermodynamics, kinetics and aggregation studies","authors":"Xingyue Liu,&nbsp;Xuanhao Huang,&nbsp;Yiting Wang,&nbsp;Zhuang Wang,&nbsp;Qiao Yu,&nbsp;Hang Zhou,&nbsp;Rui Li,&nbsp;Songdong Ding","doi":"10.1016/j.ica.2025.122710","DOIUrl":"10.1016/j.ica.2025.122710","url":null,"abstract":"<div><div>Tri-<em>n</em>-butyl phosphate (TBP), <em>n</em>-octanol and <em>N,N</em>-dihexyloctanamide (DHOA) are often used as phase modifiers to prevent the formation of the third phase during the extraction of trivalent lanthanides and actinides by <em>N,N,N′,N′</em>-tetraoctyl diglycolamide (TODGA) in spent fuel reprocessing process. In this context, the effects of these three modifiers on the thermodynamic and kinetic behaviors of 0.20 mol·L<sup>−1</sup> TODGA in <em>n</em>-dodecane toward Nd<sup>3+</sup> in nitric acid solution were studied and compared together for the first time. A systematic comparison of the effects of the three modifiers on the extraction distribution ratio, stripping percentage, loading capacity, aggregation and extraction kinetics was carried out with the aim of selecting a phase modifier for the TODGA-based process that would work optimally and to elucidate the impact of the modifiers in the TODGA extraction system. It is found that modifier reduces the capacity of TODGA to extract Nd<sup>3+</sup> in the order of DHOA &gt; TBP &gt; <em>n</em>-octanol, slightly hinders the stripping of Nd<sup>3+</sup>, while significantly enhancing the loading capacity of TODGA. With increasing the modifier concentration, the limiting organic phase concentration (LOC) for Nd<sup>3+</sup> increases. At the modifier concentration below 0.30 mol·L<sup>−1</sup>, <em>n</em>-octanol has the greatest promotion effect on the LOC value, while at that above 0.50 mol·L<sup>−1</sup>, TBP has the best effect. Meanwhile, through the dynamic light scattering analysis for the loaded organic phase, it is also found that the particle size of the aggregates in organic phase decreases significantly upon the addition of modifier. Furthermore, the extraction kinetics studies in a Lewis cell indicate that the addition of modifier can prolong the time to reach extraction equilibrium, and decrease the extraction rate. Although the modifier also exerts some influence on the reaction order and extraction rate constant to some extent, it does not alter the underlying regime of the extraction reaction.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122710"},"PeriodicalIF":2.7,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143825991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Controlling the Electron-conductive pathways of CoIIItriarylcorroles on the gold electrodes surface and their Electrocatalyzed hydrogen evolutions 控制三羧基络合物在金电极表面的导电途径及其电催化析氢
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-04-11 DOI: 10.1016/j.ica.2025.122694
Qian Lin , Lihua Li , Minzhi Li , Temlandvo Magwaza , John Mack , Tebello Nyokong , Weihua Zhu , Xu Liang
{"title":"Controlling the Electron-conductive pathways of CoIIItriarylcorroles on the gold electrodes surface and their Electrocatalyzed hydrogen evolutions","authors":"Qian Lin ,&nbsp;Lihua Li ,&nbsp;Minzhi Li ,&nbsp;Temlandvo Magwaza ,&nbsp;John Mack ,&nbsp;Tebello Nyokong ,&nbsp;Weihua Zhu ,&nbsp;Xu Liang","doi":"10.1016/j.ica.2025.122694","DOIUrl":"10.1016/j.ica.2025.122694","url":null,"abstract":"<div><div>When Co<sup>III</sup>corroles functionalized on the gold electrode as self-assembled monolayers (SAMs) through “Au-S\" bonds, they have efficient and tunable electrocatalytic performances. Herein, we provided new strategies of the electron-conductive pathways for Co<sup>III</sup>corroles on the gold electrodes by introducing multiple <em>meso</em>-substitutions, or geometrical isomerism. Also, the obviously acceleration and fine tuning of the electrochemically catalyzed hydrogen evolution behaviors were performed. In addition, the relationship between molecular/electronic structures and electrocatalytic behaviors were investigated by spectroscopic and electrochemical characterizations and trends in the theoretical calculations.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122694"},"PeriodicalIF":2.7,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850753","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 stable hydrogen-bonded organic framework (HOF) for selective fluorescence sensing of neomycin sulphate 硫酸新霉素选择性荧光传感的稳定氢键有机框架(HOF)
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-04-11 DOI: 10.1016/j.ica.2025.122709
Kai-Jie Hu, Wen-Hui Gu, Yan Zhou, Jing Chen
{"title":"A stable hydrogen-bonded organic framework (HOF) for selective fluorescence sensing of neomycin sulphate","authors":"Kai-Jie Hu,&nbsp;Wen-Hui Gu,&nbsp;Yan Zhou,&nbsp;Jing Chen","doi":"10.1016/j.ica.2025.122709","DOIUrl":"10.1016/j.ica.2025.122709","url":null,"abstract":"<div><div>As a new class of porous crystalline materials, hydrogen-organic frameworks (HOFs) have attracted lots of attention in a variety of applications. Despite their potential, hydrogen-bonded organic frameworks (HOFs)-based fluorescent sensing materials have received relatively limited research attention to date. In this work, we successfully constructed a fluorescence sensor based on HOFs constructed by 1,3,6,8-tetrakis[<em>p</em>-benzoic acid]pyrene, which can display high sensitivity and fluorescence quenching selectivity for neomycin sulphate (NS).</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122709"},"PeriodicalIF":2.7,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Anti ACHN potency of novel pyridinium-tagged Schiff base of o-vanillin and its Cu (II)-complex; A combined experimental and computational study 新型吡啶鎓标记邻香兰素席夫碱及其铜(II)络合物的抗 ACHN 效力;实验与计算的综合研究
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-04-10 DOI: 10.1016/j.ica.2025.122698
Pranesh Rai , Ankita Dutta , Anoop Kumar , Tanmoy Dutta , Biswajit Sinha
{"title":"Anti ACHN potency of novel pyridinium-tagged Schiff base of o-vanillin and its Cu (II)-complex; A combined experimental and computational study","authors":"Pranesh Rai ,&nbsp;Ankita Dutta ,&nbsp;Anoop Kumar ,&nbsp;Tanmoy Dutta ,&nbsp;Biswajit Sinha","doi":"10.1016/j.ica.2025.122698","DOIUrl":"10.1016/j.ica.2025.122698","url":null,"abstract":"<div><div>Copper (II) complexes have been extensively studied for their possible therapeutic use in many diseases and pathologies. Developing these complexes requires expertise in metal coordination chemistry and the design of the ligand to tune the copper (II) center for optimal biological activity. Taking note, herein we report the synthesis, characterization, and in vitro cytotoxicity activity of the new Copper (II) complex of 3-aminopyridinium iodide tagged Schiff base of <em>ortho</em>-vanillin as the ligand system. After synthesizing, the compounds were well characterized by different spectroscopic tools, and the data obtained confirms the formation of the ligand molecule and its paramagnetic mononuclear square planar Cu (II)-complex in a 1:2 M ratio. To reveal the stability of the synthesized Cu (II) complex, different electronic parameters were calculated using Density Functional Theory (DFT). The stability constant of the Cu-complex obtained from Job's plot supports the formation of a fairly stable complex. In vitro, cytotoxicity activity against the ACHN cell line shows that both compounds are active. However, the Cu (II)-complex is more potent with less IC<sub>50</sub> value than the ligand, thus revealing the synergistic effect of the Ligand and the Cu (II) ion in their mode of action towards the ACHN cell line. DNA binding constant value for the Cu-complex confirms a non-covalent stacking mode of interaction between the aromatic choromophore of the Cu-complex and the base pair of the DNA, thus casting off DNA intercalative mode of action of the Cu-complex against the ACHN cell line.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122698"},"PeriodicalIF":2.7,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143833687","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Biogenic synthesis of zinc oxide nanoparticles mediated by the extract of Simarouba glauca leaf and its multifaceted applications 樗叶提取物介导的纳米氧化锌的生物合成及其多方面应用
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-04-10 DOI: 10.1016/j.ica.2025.122706
Biswaprakash Sarangi , Shashikanta Behera , Rajesh Kumar Meher , Sridhar Parida , Tankadhar Behera , Sneha Prabha Mishra , Nabakrushna Behera
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