Inorganica Chimica Acta最新文献

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Role of non-covalent interactions in the supramolecular architectures of Co(II), Cu(II), Zn(II), and Cd (II) based complexes with heterofunctional ligand (2-amino, 5-nitrobenzoic acid): Comparative experimental and Hirshfeld surface calculations 非共价相互作用在 Co(II)、Cu(II)、Zn(II) 和 Cd (II) 与杂功能配体(2-氨基,5-硝基苯甲酸)的超分子结构中的作用:实验与希尔施菲尔德表面计算的比较
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2024-10-10 DOI: 10.1016/j.ica.2024.122406
Amanpreet Kaur Jassal
{"title":"Role of non-covalent interactions in the supramolecular architectures of Co(II), Cu(II), Zn(II), and Cd (II) based complexes with heterofunctional ligand (2-amino, 5-nitrobenzoic acid): Comparative experimental and Hirshfeld surface calculations","authors":"Amanpreet Kaur Jassal","doi":"10.1016/j.ica.2024.122406","DOIUrl":"10.1016/j.ica.2024.122406","url":null,"abstract":"<div><div>Four novel monomeric metal complexes based on heterofunctional ligand (2-amino, 5-nitro benzoic acid (<strong>L1H</strong>)), namely <strong>{[Co(L1)<sub>2</sub>.(H<sub>2</sub>O)<sub>4</sub>].4H<sub>2</sub>O} (I), [Cu(L1)<sub>2</sub>.(H<sub>2</sub>O)<sub>2</sub>] (II), [Zn(L1)<sub>2</sub>.(H<sub>2</sub>O)<sub>2</sub>] (III),</strong> and <strong>[Cd(L1)<sub>2</sub>.(H<sub>2</sub>O)<sub>2</sub>] (IV),</strong> have been synthesized under hydrothermal conditions. The crystal structures of monomeric complexes have been determined by single-crystal X-ray diffraction analysis and further characterized by elemental analyses, Infrared (IR) spectra, and thermogravimetric analysis (TGA). Among all these complexes, hydrogen bonding is the most important part in crystal structure explanation, along with the coordination mode of binding. All these complexes are stabilized collectively by covalent, and intermolecular hydrogen bonding interactions. The results demonstrated that the coordinated and lattice water molecules are useful for the stabilization of crystal structure. Focusing on this organic ligand (<strong>L1H</strong>), which has carboxylate, nitro, and amino functional groups that are exclusively able to form dative bonds as well as H-bonds in such a way that the hydrogen-bonding arrays can control 1D, 2D, and 3D structures. The Hirshfeld surface calculations revealed that the closest contacts of the complexes are dominated by H···H, H···O, N···H, C<img>H···π and π···π (C<img>C) interactions. The complexation of <strong>L1H</strong> with transition metals leads to the decrease of O···H, C<img>H···π, and π···π interactions while increasing H<img>H, and C<img>O contacts.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"574 ","pages":"Article 122406"},"PeriodicalIF":2.7,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142422551","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
Recent advances in electrochemical biosensors for the detection of pathogens, diseases biomarkers, and heavy metal ions 用于检测病原体、疾病生物标记物和重金属离子的电化学生物传感器的最新进展
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2024-10-09 DOI: 10.1016/j.ica.2024.122403
Manoj Kumar Goshisht , Goutam Kumar Patra , Aabroo Mahal , Ajaya Kumar Singh , Shobha , Mahavir Parshad
{"title":"Recent advances in electrochemical biosensors for the detection of pathogens, diseases biomarkers, and heavy metal ions","authors":"Manoj Kumar Goshisht ,&nbsp;Goutam Kumar Patra ,&nbsp;Aabroo Mahal ,&nbsp;Ajaya Kumar Singh ,&nbsp;Shobha ,&nbsp;Mahavir Parshad","doi":"10.1016/j.ica.2024.122403","DOIUrl":"10.1016/j.ica.2024.122403","url":null,"abstract":"<div><div>The excessive usage of chemicals has resulted in environmental pollution worldwide leading to several health issues. The continuous rise in multidrug-resistance (MDR) pathogens is further challenging global health. The detection of these harmful chemicals, pathogens, and disease biomarkers is essential to combat these challenges. In this review, we describe different electrochemical biosensors to detect pathogens, disease biomarkers, and heavy metal ions (HMIs). The review has been devised in three parts. The first part involves discussion of different types of electrochemical biosensors for detecting MDR pathogens along with their mechanism of detection. The second part involves detection and monitoring of diabetes mellitus, cancer, and neurodegenerative diseases. The third part sheds light on the detection of heavy metal ions and monitoring of the environment. This review article has covered the literature based on different types of electrochemical biosensor, their working principles, mechanisms, and applications in detection of disease biomarkers, pathogens, and HMIs from 2017 to 2023.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"574 ","pages":"Article 122403"},"PeriodicalIF":2.7,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142422553","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
Novel Nonsymmetrically benzimidazolium salts and their silver(I)-N-heterocyclic carbene complexes: Synthesis, crystal structure, DFTstudies and anticancer activities 新型非对称苯并咪唑盐及其 N-杂环碳银配合物:合成、晶体结构、DFT 研究和抗癌活性
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2024-10-09 DOI: 10.1016/j.ica.2024.122398
Donia Ben Salah , Mohamed Oussama Zouaghi , Sabri Hassen , Youssef Arfaoui , Lamjed Mansour , Saleh Al-Quraishy , Namık Özdemir , Nevin Gurbuz , Ismail Özdemir , Mathieu Sauthier , Naceur Hamdi
{"title":"Novel Nonsymmetrically benzimidazolium salts and their silver(I)-N-heterocyclic carbene complexes: Synthesis, crystal structure, DFTstudies and anticancer activities","authors":"Donia Ben Salah ,&nbsp;Mohamed Oussama Zouaghi ,&nbsp;Sabri Hassen ,&nbsp;Youssef Arfaoui ,&nbsp;Lamjed Mansour ,&nbsp;Saleh Al-Quraishy ,&nbsp;Namık Özdemir ,&nbsp;Nevin Gurbuz ,&nbsp;Ismail Özdemir ,&nbsp;Mathieu Sauthier ,&nbsp;Naceur Hamdi","doi":"10.1016/j.ica.2024.122398","DOIUrl":"10.1016/j.ica.2024.122398","url":null,"abstract":"<div><div>Due to the success of Ag-NHCs in biological applications, interest in the synthesis and applications of such compounds is increasing rapidly. Therefore, in this study, preparation and structural definition of silver(I)–NHC complexes were accomplished. These complexes were synthesized by combining a metal source, Ag<sub>2</sub>O, with imidazolium salts in dichloromethane. A comprehensive characterization process was carried out for both the ligands and their resulting complexes. This involved utilizing various analytical techniques, such as elemental analysis, LC-MS, FTIR and NMR spectroscopy. Further, structure of the <strong>3 h</strong> complex was determined by X-ray crystallography. A single-crystal of <strong>3 h</strong> shows that coordination geometry is a slightly distorted linear coordination geometry around the silver(I) center. Furthermore, our combined experimental and theoretical approach provided insights into the crystal structure, coordination geometry, and intermolecular interactions stabilizing the complex’s lattice. Density functional theory (DFT) optimization revealed its geometry, while time-dependent DFT (TD-DFT) calculations shed light on its optical properties. Furthemore the newly synthesized ligands and silver(I) complexes were evaluated for their <em>in vitro</em> anticancer activity against three human cancer cell lines including hepatocellular carcinoma (<em>HePG2</em>), lung adenocarcinoma (<em>A549</em>) and breast adenocarcinoma (<em>MCF7</em>). Most of the newly synthesized silver(I) complexes exhibited better activity than the ligands, and the results have been compared with <em>Cisplatin</em> as a reference drug.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"574 ","pages":"Article 122398"},"PeriodicalIF":2.7,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142422550","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
Platinum(II) triphenylphosphane and triphenylarsane complexes help overcome resistance against cisplatinum resistant cancer cell lines 铂(II)三苯基膦和三苯基胂配合物有助于克服耐顺铂癌细胞株的抗药性
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2024-10-05 DOI: 10.1016/j.ica.2024.122396
Lisa Dalla Via , Mariafrancesca Hyeraci , Luca Labella , Simona Samaritani
{"title":"Platinum(II) triphenylphosphane and triphenylarsane complexes help overcome resistance against cisplatinum resistant cancer cell lines","authors":"Lisa Dalla Via ,&nbsp;Mariafrancesca Hyeraci ,&nbsp;Luca Labella ,&nbsp;Simona Samaritani","doi":"10.1016/j.ica.2024.122396","DOIUrl":"10.1016/j.ica.2024.122396","url":null,"abstract":"<div><div>In the field of anticancer metal complexes many efforts are continuously devoted to overcome resistance phenomena. Within thousands of new complexes proposed each year as potential metallodrugs, compounds showing modes of action other than that of cisplatin appear promising. This minireview reports about the class of triphenylphosphane complexes of platinum(II), describing their synthesis, antiproliferative properties and modes of action, with a special focus on the possibility of overcoming resistance phenomena.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"574 ","pages":"Article 122396"},"PeriodicalIF":2.7,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142422548","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Silver(I) and gold(III) complexes with miconazole: The influence of the metal ion on the antimicrobial activity of the coordinated azole 银(I)和金(III)与咪康唑的配合物:金属离子对配位唑抗菌活性的影响
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2024-10-05 DOI: 10.1016/j.ica.2024.122393
Nevena Lj. Stevanović , Jakob Kljun , Sanja Skaro Bogojevic , Dharmarajan Sriram , Matija Zlatar , Jasmina Nikodinovic-Runic , Iztok Turel , Miloš I. Djuran , Biljana Đ. Glišić
{"title":"Silver(I) and gold(III) complexes with miconazole: The influence of the metal ion on the antimicrobial activity of the coordinated azole","authors":"Nevena Lj. Stevanović ,&nbsp;Jakob Kljun ,&nbsp;Sanja Skaro Bogojevic ,&nbsp;Dharmarajan Sriram ,&nbsp;Matija Zlatar ,&nbsp;Jasmina Nikodinovic-Runic ,&nbsp;Iztok Turel ,&nbsp;Miloš I. Djuran ,&nbsp;Biljana Đ. Glišić","doi":"10.1016/j.ica.2024.122393","DOIUrl":"10.1016/j.ica.2024.122393","url":null,"abstract":"<div><div>To develop a new antimicrobial agent, we used the clinically approved antifungal azole, miconazole (mcz), as a ligand for the synthesis of silver(I) and gold(III) complexes. The new complexes [Ag(NO<sub>3</sub>-<em>O</em>)(mcz-<em>N</em>)<sub>2</sub>] (<strong>1</strong>) and [AuCl<sub>3</sub>(mcz-<em>N</em>)] (<strong>2</strong>) were synthesized and characterized by <sup>1</sup>H NMR, IR and UV–Vis spectroscopy and mass spectrometry, while the crystal structure of <strong>1</strong> was determined by single-crystal X-ray diffraction analysis. From the results obtained, it can be concluded that in both complexes, mcz is monodentately coordinated to the silver(I) and gold(III) ions through the imidazole nitrogen atom N3. In the solid state, complex <strong>1</strong> contains two mcz ligands and monodentately coordinated nitrate in the third position, while in the case of <strong>2</strong> gold(III) ion is coordinated by one mcz and three chlorido ligands, resulting in the expected square-planar arrangement around the metal center. DFT and TDDFT calculations were employed to elucidate the electronic structures and thermodynamic stability of the synthesized complexes in solution to complement the experimental findings. The coordination of mcz to silver(I) and gold(III) ions leads to an enhancement of its activity against Gram-negative <em>Escherichia coli</em> and <em>Pseudomonas aeruginosa</em> strains, while against the panel of <em>Staphylococcus aureus</em> and <em>Candida</em> species, only <strong>2</strong> shows improved activity compared to mcz. Both complexes <strong>1</strong> and <strong>2</strong> were tested <em>in vitro</em> for their antimycobacterial activity against the strain <em>Mycobacterium tuberculosis</em> H37Rv and showed good growth inhibition with minimum inhibitory concentration (MIC) values of 3.12 and 8.69 μM, respectively, with complex <strong>1</strong> being twice effective as mcz (MIC = 7.50 μM). Complex <strong>2</strong> significantly reduced the production of pyocyanin, a virulence factor in <em>P. aeruginosa</em> controlled by quorum sensing, while this effect was not observed for <strong>1</strong>.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"574 ","pages":"Article 122393"},"PeriodicalIF":2.7,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142422546","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
Heteronuclear cadmium(II)/cobalt(III) cyanide coordination polymers with 1-methylimidazole and 1-ethylimidazole ligands: synthesis, characterization and catalytic activities 具有 1-甲基咪唑和 1-乙基咪唑配体的异核氰化镉(II)/钴(III)配位聚合物:合成、表征和催化活性
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2024-10-02 DOI: 10.1016/j.ica.2024.122400
Güneş Süheyla Kürkçüoğlu , Seray Kekeç , Okan Zafer Yeşilel , Kutalmış Gökkuş , Hakan Ünver , Onur Şahin
{"title":"Heteronuclear cadmium(II)/cobalt(III) cyanide coordination polymers with 1-methylimidazole and 1-ethylimidazole ligands: synthesis, characterization and catalytic activities","authors":"Güneş Süheyla Kürkçüoğlu ,&nbsp;Seray Kekeç ,&nbsp;Okan Zafer Yeşilel ,&nbsp;Kutalmış Gökkuş ,&nbsp;Hakan Ünver ,&nbsp;Onur Şahin","doi":"10.1016/j.ica.2024.122400","DOIUrl":"10.1016/j.ica.2024.122400","url":null,"abstract":"<div><div>Two new heteronuclear Cd(II)/Co(III) compounds, {[Cd(1-meim)<sub>3</sub>Cd<sub>0.5</sub>(1-meim)Co(μ-CN)<sub>4</sub>(CN)<sub>2</sub>]}<sub>n</sub> (<strong>1</strong>) and {[Cd(1-etim)<sub>3</sub>Cd<sub>0.5</sub>(1-etim)<sub>2</sub>Co(μ-CN)<sub>3</sub>(CN)<sub>3</sub>]⋅H<sub>2</sub>O}<sub>n</sub> (<strong>2</strong>) (1-meim: 1-methylimidazole, 1-etim = 1-ethylimidazole), have been synthesized and characterized using elemental analysis, FT-IR and Raman spectroscopy, single-crystal X-ray diffraction techniques. The single crystal X-ray study shows that the compound <strong>1</strong> exhibited a 1D double chain structure and is further linked into 3D supramolecular architectures through C<img>H⋅⋅⋅N and π⋅⋅⋅π interactions. Whereas the compound <strong>2</strong> displayed 2D network which is extended into a 3D supramolecular framework by O<img>H⋅⋅⋅N hydrogen bonds and C<img>H∙∙∙π interactions. In <strong>1</strong> and <strong>2</strong>, each Co(III) ion is coordinated by six carbon atoms from cyanide ligands, thus showing an octahedral coordination geometry. Cd1 and Cd2 ions exhibited two different geometries, distorted trigonal bipyramidal and octahedral. Furthermore, phase purities, catalytic and thermal properties were investigated.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"574 ","pages":"Article 122400"},"PeriodicalIF":2.7,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142422564","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
Iron-based bimetallic oxide carbon composites with superior lithium storage capabilities serve as anode in lithium-ion batteries 铁基双金属氧化物碳复合材料具有卓越的锂存储能力,可用作锂离子电池的负极
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2024-10-01 DOI: 10.1016/j.ica.2024.122399
Meng-Ting Li , Rong-Rong Liu , Ling-Yan Wang , Hai-Jun Wang , Jing-Wen Sun , Yang Yu
{"title":"Iron-based bimetallic oxide carbon composites with superior lithium storage capabilities serve as anode in lithium-ion batteries","authors":"Meng-Ting Li ,&nbsp;Rong-Rong Liu ,&nbsp;Ling-Yan Wang ,&nbsp;Hai-Jun Wang ,&nbsp;Jing-Wen Sun ,&nbsp;Yang Yu","doi":"10.1016/j.ica.2024.122399","DOIUrl":"10.1016/j.ica.2024.122399","url":null,"abstract":"<div><div>Transition metal oxides (TMOs) have emerged as highly promising electrode materials for lithium-ion batteries (LIBs) owing to their versatile valence states and distinctive morphological attributes. Bimetallic oxides, in particular, exhibit the ability to mitigate the volume expansion associated with lithium alloying and de-alloying processes. Despite these advantages, metal oxides often suffer from drawbacks such as poor conductivity, limited cycle stability, and a propensity for lithiation. Addressing the challenges of low electronic conductivity, significant volume expansion, and inadequate uniformity, we synthesized two bimetallic oxide-based carbon composites via a “one-pot” solvothermal approach: ZnFe<sub>2</sub>O<sub>4</sub>@C and MnFe<sub>2</sub>O<sub>4</sub>@C. These composites are enveloped in a carbon shell derived from anhydrous ethanol. Notably, the specific discharge capacities of ZnFe<sub>2</sub>O<sub>4</sub>@C and MnFe<sub>2</sub>O<sub>4</sub>@C surpass those of their respective single metal oxide counterparts. Following nearly 300 cycles of charge and discharge operations at a current density of 100 mA g<sup>−1</sup>, ZnFe<sub>2</sub>O<sub>4</sub>@C exhibited a specific discharge capacity of 1528 mAh g<sup>−1</sup>, while MnFe<sub>2</sub>O<sub>4</sub>@C demonstrated a capacity of 1283 mAh g<sup>−1</sup>. The synthesis method offers simplicity, high yield, and uniform morphology, making it a promising avenue for enhancing the performance of LIBs electrode materials.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"574 ","pages":"Article 122399"},"PeriodicalIF":2.7,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142422547","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
Transition metal complexes of benzimidazole-based ligands: Synthesis, characterization, biological, and catecholase activities 苯并咪唑配体的过渡金属配合物:合成、表征、生物和儿茶酚酶活性
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2024-09-29 DOI: 10.1016/j.ica.2024.122392
Nouman , Manish Rana , Saiema Ahmedi , Rabiya Mehandi , Manjeet Dhama , Nikhat Manzoor , Rahisuddin
{"title":"Transition metal complexes of benzimidazole-based ligands: Synthesis, characterization, biological, and catecholase activities","authors":"Nouman ,&nbsp;Manish Rana ,&nbsp;Saiema Ahmedi ,&nbsp;Rabiya Mehandi ,&nbsp;Manjeet Dhama ,&nbsp;Nikhat Manzoor ,&nbsp;Rahisuddin","doi":"10.1016/j.ica.2024.122392","DOIUrl":"10.1016/j.ica.2024.122392","url":null,"abstract":"<div><div>Heterocyclic ligands <strong>5a</strong> and <strong>5b</strong> and their metal complexes <strong>(1</strong>–<strong>10)</strong> and <strong>(11</strong>–<strong>20)</strong> respectively, were synthesized and characterized by mass spectrometry, FT-IR, ESR, <sup>1</sup>H, <sup>13</sup>C NMR and UV–visible spectroscopy. <em>In vitro</em> antifungal activity of the heterocyclic analogs <strong>5a</strong>, <strong>5b</strong> and metal complexes <strong>(1</strong>–<strong>20)</strong> was evaluated against the fungal strains: <em>Candida albicans</em>, <em>Candida glabrata</em>, and <em>Candida tropicalis.</em>, The results showed that Fe(III) <strong>2</strong> and Co(II) complex <strong>13</strong> display considerable antifungal activity with MIC values of 350, 375 and 435 μg/mL and 450, 455, and 455 μg/mL against <em>C. albicans</em>, <em>C</em>. <em>glabrata</em>, and <em>C</em>. <em>tropicalis</em>, respectively. Promising <strong>5a</strong>, <strong>5b</strong>, Fe(III) <strong>2</strong>, and Co(II) complex <strong>13</strong> show groove binding mode with Ct-DNA, which has been confirmed by several techniques, including UV–visible, fluorescence spectroscopy, and cyclic voltammetry. PDB ID: 1BNA was used for the molecular docking investigation of the heterocyclic analogs <strong>5a</strong> and <strong>5b</strong>. The active Fe(III) complex <strong>2</strong> and Co(II) complex <strong>13</strong> are effectively catalyzed for the oxidation of catechol in acetonitrile to its corresponding quinone with turnover number 5.44 × 10<sup>4</sup> and 9.78 × 10<sup>4</sup> h<sup>−1</sup>, respectively with first order that follow Michaelis-Menten enzymatic kinetics. The pharmacokinetics properties of the all compounds showed good oral bioavailability. Antioxidant potential of ligands <strong>5a</strong>, <strong>5b</strong>, Fe(III) <strong>2</strong> and Co(II) complex <strong>13</strong> was further approximated through DPPH free radical and H<sub>2</sub>O<sub>2</sub> with remarkable antioxidant activity.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"574 ","pages":"Article 122392"},"PeriodicalIF":2.7,"publicationDate":"2024-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142422545","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
Experimental and theoretical study on the enhanced antifungal activities of tebuconazole after complexation with two zinc salts 关于增强戊唑醇与两种锌盐络合后抗真菌活性的实验和理论研究
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2024-09-27 DOI: 10.1016/j.ica.2024.122397
Jie Li, Xiaoyan Pei
{"title":"Experimental and theoretical study on the enhanced antifungal activities of tebuconazole after complexation with two zinc salts","authors":"Jie Li,&nbsp;Xiaoyan Pei","doi":"10.1016/j.ica.2024.122397","DOIUrl":"10.1016/j.ica.2024.122397","url":null,"abstract":"<div><div>The frequent use of 1,2,4-triazole fungicide tebuconazole has led to serious resistance and environmental pollution. The synthesis of its metal complexes can not only enhance its activity but also solve the problems of resistance and residues. Two Zn(II) complexes of tebuconazole have been synthesized and characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. Crystal structures of the title complexes show that in complex <strong>1</strong>, Zn(II) forms coordination bonds with four tebuconazole ligands and is additionally coordinated by two NO<sub>3</sub><sup>−</sup> ions. In contrast, complex <strong>2</strong> involves the coordination of Zn(II) with two tebuconazole ligands and two CH<sub>3</sub>COO<sup>−</sup> ions. In addition, both the Zn(II) complexes exhibit stronger antifungal activities against four tested plant fungal pathogens than their ligand. Notably, complex <strong>2</strong> exhibits greater antifungal activity than complex <strong>1</strong> because of the different proportions of zinc salt to tebuconazole. Synergistic actions and DFT (the density functional theory) results supported the experimental antifungal results for enhancement in the activities of the complexes.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"574 ","pages":"Article 122397"},"PeriodicalIF":2.7,"publicationDate":"2024-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357968","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
Molecular hydride carbonyl clusters and nanoclusters 分子氢化物羰基团簇和纳米团簇
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2024-09-26 DOI: 10.1016/j.ica.2024.122394
Cristiana Cesari, Cristina Femoni, Francesca Forti, Maria Carmela Iapalucci, Giorgia Scorzoni, Stefano Zacchini
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