Pub Date : 2024-10-12DOI: 10.1016/j.ica.2024.122404
Gopal C. Das , Bhriguram Das , Urmila Saha , Surya Kanta Dey , Sujata Maiti Choudhury , Paula Brandao , Asma A. Alothman , Saikh M. Wabaidur , Malay Dolai
The crystallographically established ligand 2-((E)-(benzyl imino)methyl)-4-bromophenol (HL) (existing keto at 296 K and enol at 120 K in the solid state), which is in equilibrium of interconversion (ΔE) = 4.39Kcal) with its tautomer, showed weak emission in the excited state, due to the fact of PET but in the presence of Zn2+, PET was blocked and chelation-enhanced fluorescence (CHEF) was set up. It exhibits 'turn on' sensor with the coordination of Zn2+. Among various metal ions, the synthesised probe HL selectively detected Zn2+ and LOD was about to ∼ 1.63 µM. The Zn(II) coordinated complex and the relative stabilities of the tautomers of HL were thoroughly calculated by spectroscopic and computational studies. Furthermore, cell imaging was also performed to validate the sensing property as well as cyto-toxicity of the probe.
{"title":"The crystal structures of Imine-Enamine ‘tautomerism’ in solid state and “turn on” sensing for Zn2+: spectroscopy, DFT and cell imaging studies","authors":"Gopal C. Das , Bhriguram Das , Urmila Saha , Surya Kanta Dey , Sujata Maiti Choudhury , Paula Brandao , Asma A. Alothman , Saikh M. Wabaidur , Malay Dolai","doi":"10.1016/j.ica.2024.122404","DOIUrl":"10.1016/j.ica.2024.122404","url":null,"abstract":"<div><div>The crystallographically established ligand 2-((E)-(benzyl imino)methyl)-4-bromophenol (HL) (existing keto at 296 K and enol at 120 K in the solid state), which is in equilibrium of interconversion (ΔE) = 4.39Kcal) with its tautomer, showed weak emission in the excited state, due to the fact of PET but in the presence of Zn<sup>2+</sup>, PET was blocked and chelation-enhanced fluorescence (CHEF) was set up. It exhibits 'turn on' sensor with the coordination of Zn<sup>2+</sup>. Among various metal ions, the synthesised probe HL selectively detected Zn<sup>2+</sup> and LOD was about to ∼ 1.63 µM. The Zn(II) coordinated complex and the relative stabilities of the tautomers of HL were thoroughly calculated by spectroscopic and computational studies. Furthermore, cell imaging was also performed to validate the sensing property as well as cyto-toxicity of the probe.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"574 ","pages":"Article 122404"},"PeriodicalIF":2.7,"publicationDate":"2024-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142445860","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}
Pub Date : 2024-10-10DOI: 10.1016/j.ica.2024.122405
Puspendu Middya , Sougata Das , Shouvik Chattopadhyay
Salen-type compartmental ligands, prepared by the 1:2 condensation of a diamine and a salicylaldehyde derivative, have been used in the synthesis of a variety of hereto-nuclear complexes with several transition and non-transition metals. This review focuses light on the synthesis of different hetero-nuclear transition metal/Na complexes with these ‘salen type’ compartmental Schiff base ligands. The X-ray structures, properties and different applications of these complexes are also discussed. The less explored area is also highlighted.
通过二胺和水杨醛衍生物 1:2 缩合制备的沙仑型室配体已被用于合成多种过渡金属和非过渡金属的核络合物。本综述重点介绍了与这些 "水杨醛型 "隔室席夫碱配体合成不同异核过渡金属/Na 配合物的情况。此外，还讨论了这些配合物的 X 射线结构、性质和不同应用。此外，还重点介绍了探索较少的领域。
{"title":"An overview of the synthesis, structure and different applications of hetero-nuclear complexes of different transition metals and sodium with salen type compartmental ligands","authors":"Puspendu Middya , Sougata Das , Shouvik Chattopadhyay","doi":"10.1016/j.ica.2024.122405","DOIUrl":"10.1016/j.ica.2024.122405","url":null,"abstract":"<div><div>Salen-type compartmental ligands, prepared by the 1:2 condensation of a diamine and a salicylaldehyde derivative, have been used in the synthesis of a variety of hereto-nuclear complexes with several transition and non-transition metals. This review focuses light on the synthesis of different hetero-nuclear transition metal/Na complexes with these ‘salen type’ compartmental Schiff base ligands. The X-ray structures, properties and different applications of these complexes are also discussed. The less explored area is also highlighted.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"574 ","pages":"Article 122405"},"PeriodicalIF":2.7,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142535077","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}
Pub Date : 2024-10-10DOI: 10.1016/j.ica.2024.122402
Jacqueline Cuen, Andrew Witty, Minkyeong Choi, Nathan Shtilerman, Trinanjana Mandal, Marc Walters
The zinc tetraammine complexes [Zn(NH3]4]F2 (ZAF) and [Zn(NH3]4](NO3)2 (ZAN) have been isolated from methanolic ammonia and characterized by single crystal X-ray diffraction and Raman spectroscopy. As determined from Raman data, the tetrahedral structure of the zinc tetraammine cation complex is sustained in solutions that contain high concentrations of ammonia. Dilution of ZAF or ZAN solutions in bulk water results in the deposition of ZnO as determined by X-ray powder diffraction (XRD). Lower dilution, as when aqueous ZAF is applied to wet surfaces, results in Zn(OH)F deposition as identified by XRD. These mineral products are readily obtained from zinc tetraammine solutions under ambient conditions and lend themselves to biomedical and materials applications.
我们从甲醇氨水中分离出了锌四胺络合物 [Zn(NH3]4]F2 (ZAF) 和 [Zn(NH3]4](NO3)2 (ZAN)，并利用单晶 X 射线衍射和拉曼光谱对其进行了表征。根据拉曼数据确定，锌四胺阳离子复合物的四面体结构在含有高浓度氨的溶液中得以维持。根据 X 射线粉末衍射（XRD）的测定，在散装水中稀释 ZAF 或 ZAN 溶液会导致氧化锌沉积。稀释程度较低时，如将ZAF水溶液涂抹在潮湿的表面上，则会出现 XRD 所确定的 Zn(OH)F 沉积。在环境条件下，很容易从四氨化锌溶液中获得这些矿物产品，并将其应用于生物医学和材料领域。
{"title":"Formation of zinc tetraammine difluoride and dinitrate and conversion to zinc oxide and zinc hydroxyfluoride under ambient conditions","authors":"Jacqueline Cuen, Andrew Witty, Minkyeong Choi, Nathan Shtilerman, Trinanjana Mandal, Marc Walters","doi":"10.1016/j.ica.2024.122402","DOIUrl":"10.1016/j.ica.2024.122402","url":null,"abstract":"<div><div>The zinc tetraammine complexes [Zn(NH<sub>3</sub>]<sub>4</sub>]F<sub>2</sub> (ZAF) and [Zn(NH<sub>3</sub>]<sub>4</sub>](NO<sub>3</sub>)<sub>2</sub> (ZAN) have been isolated from methanolic ammonia and characterized by single crystal X-ray diffraction and Raman spectroscopy. As determined from Raman data, the tetrahedral structure of the zinc tetraammine cation complex is sustained in solutions that contain high concentrations of ammonia. Dilution of ZAF or ZAN solutions in bulk water results in the deposition of ZnO as determined by X-ray powder diffraction (XRD). Lower dilution, as when aqueous ZAF is applied to wet surfaces, results in Zn(OH)F deposition as identified by XRD. These mineral products are readily obtained from zinc tetraammine solutions under ambient conditions and lend themselves to biomedical and materials applications.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"574 ","pages":"Article 122402"},"PeriodicalIF":2.7,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142535079","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}
Pub Date : 2024-10-10DOI: 10.1016/j.ica.2024.122406
Amanpreet Kaur Jassal
Four novel monomeric metal complexes based on heterofunctional ligand (2-amino, 5-nitro benzoic acid (L1H)), namely {[Co(L1)2.(H2O)4].4H2O} (I), [Cu(L1)2.(H2O)2] (II), [Zn(L1)2.(H2O)2] (III), and [Cd(L1)2.(H2O)2] (IV), 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 (L1H), 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, CH···π and π···π (CC) interactions. The complexation of L1H with transition metals leads to the decrease of O···H, CH···π, and π···π interactions while increasing HH, and CO contacts.
在水热条件下合成了四种基于杂功能配体（2-氨基、5-硝基苯甲酸（L1H））的新型单体金属配合物，即{[Co(L1)2.(H2O)4].4H2O} (I)、[Cu(L1)2.(H2O)2] (II)、[Zn(L1)2.(H2O)2] (III)和[Cd(L1)2.(H2O)2] (IV)。通过单晶 X 射线衍射分析确定了单体配合物的晶体结构，并通过元素分析、红外光谱和热重分析进一步对其进行了表征。在所有这些复合物中，氢键和配位结合模式是晶体结构解释中最重要的部分。所有这些复合物都是通过共价和分子间氢键相互作用共同稳定的。研究结果表明，配位水分子和晶格水分子有助于稳定晶体结构。这种有机配体（L1H）具有羧基、硝基和氨基官能团，它们不仅能形成配位键，还能形成氢键，因此氢键阵列能控制一维、二维和三维结构。Hirshfeld 表面计算显示，复合物的最密切接触主要是 H--H、H--O、N--H、CH--π 和 π--π（CC）相互作用。L1H 与过渡金属的络合导致 O--H、CH--π 和 π---π 相互作用的减少，而 HH 和 CO 接触的增加。
{"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}
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.
{"title":"Recent advances in electrochemical biosensors for the detection of pathogens, diseases biomarkers, and heavy metal ions","authors":"Manoj Kumar Goshisht , Goutam Kumar Patra , Aabroo Mahal , Ajaya Kumar Singh , Shobha , 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}
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, Ag2O, 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 3 h complex was determined by X-ray crystallography. A single-crystal of 3 h 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 in vitro anticancer activity against three human cancer cell lines including hepatocellular carcinoma (HePG2), lung adenocarcinoma (A549) and breast adenocarcinoma (MCF7). Most of the newly synthesized silver(I) complexes exhibited better activity than the ligands, and the results have been compared with Cisplatin as a reference drug.
由于 Ag-NHC 在生物应用方面的成功，人们对此类化合物的合成和应用的兴趣正在迅速增长。因此，本研究完成了银（I）-NHC 复合物的制备和结构定义。这些配合物是在二氯甲烷中将金属源 Ag2O 与咪唑盐结合合成的。研究人员对配体及其复合物进行了全面的表征。这包括利用各种分析技术，如元素分析、LC-MS、傅立叶变换红外光谱和核磁共振光谱。此外，还通过 X 射线晶体学确定了 3 h 复合物的结构。3 h 的单晶显示，配位几何是围绕银（I）中心的略微扭曲的线性配位几何。此外，我们通过实验和理论相结合的方法，深入了解了晶体结构、配位几何以及稳定该复合物晶格的分子间相互作用。密度泛函理论（DFT）优化揭示了其几何结构，而随时间变化的 DFT（TD-DFT）计算则阐明了其光学性质。此外，还对新合成的配体和银（I）配合物进行了体外抗癌活性评估，其抗癌活性主要针对三种人类癌细胞系，包括肝癌（HePG2）、肺腺癌（A549）和乳腺癌（MCF7）。大多数新合成的银（I）配合物都表现出比配体更好的活性，其结果已与作为参考药物的顺铂进行了比较。
{"title":"Novel Nonsymmetrically benzimidazolium salts and their silver(I)-N-heterocyclic carbene complexes: Synthesis, crystal structure, DFTstudies and anticancer activities","authors":"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","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}
Pub Date : 2024-10-05DOI: 10.1016/j.ica.2024.122396
Lisa Dalla Via , Mariafrancesca Hyeraci , Luca Labella , Simona Samaritani
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.
{"title":"Platinum(II) triphenylphosphane and triphenylarsane complexes help overcome resistance against cisplatinum resistant cancer cell lines","authors":"Lisa Dalla Via , Mariafrancesca Hyeraci , Luca Labella , 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}
Pub Date : 2024-10-05DOI: 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
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(NO3-O)(mcz-N)2] (1) and [AuCl3(mcz-N)] (2) were synthesized and characterized by 1H NMR, IR and UV–Vis spectroscopy and mass spectrometry, while the crystal structure of 1 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 1 contains two mcz ligands and monodentately coordinated nitrate in the third position, while in the case of 2 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 Escherichia coli and Pseudomonas aeruginosa strains, while against the panel of Staphylococcus aureus and Candida species, only 2 shows improved activity compared to mcz. Both complexes 1 and 2 were tested in vitro for their antimycobacterial activity against the strain Mycobacterium tuberculosis H37Rv and showed good growth inhibition with minimum inhibitory concentration (MIC) values of 3.12 and 8.69 μM, respectively, with complex 1 being twice effective as mcz (MIC = 7.50 μM). Complex 2 significantly reduced the production of pyocyanin, a virulence factor in P. aeruginosa controlled by quorum sensing, while this effect was not observed for 1.
{"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 , Jakob Kljun , Sanja Skaro Bogojevic , Dharmarajan Sriram , Matija Zlatar , Jasmina Nikodinovic-Runic , Iztok Turel , Miloš I. Djuran , 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}
Two new heteronuclear Cd(II)/Co(III) compounds, {[Cd(1-meim)3Cd0.5(1-meim)Co(μ-CN)4(CN)2]}n (1) and {[Cd(1-etim)3Cd0.5(1-etim)2Co(μ-CN)3(CN)3]⋅H2O}n (2) (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 1 exhibited a 1D double chain structure and is further linked into 3D supramolecular architectures through CH⋅⋅⋅N and π⋅⋅⋅π interactions. Whereas the compound 2 displayed 2D network which is extended into a 3D supramolecular framework by OH⋅⋅⋅N hydrogen bonds and CH∙∙∙π interactions. In 1 and 2, 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.
{"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 , Seray Kekeç , Okan Zafer Yeşilel , Kutalmış Gökkuş , Hakan Ünver , 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}
Pub Date : 2024-10-01DOI: 10.1016/j.ica.2024.122399
Meng-Ting Li , Rong-Rong Liu , Ling-Yan Wang , Hai-Jun Wang , Jing-Wen Sun , Yang Yu
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: ZnFe2O4@C and MnFe2O4@C. These composites are enveloped in a carbon shell derived from anhydrous ethanol. Notably, the specific discharge capacities of ZnFe2O4@C and MnFe2O4@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−1, ZnFe2O4@C exhibited a specific discharge capacity of 1528 mAh g−1, while MnFe2O4@C demonstrated a capacity of 1283 mAh g−1. The synthesis method offers simplicity, high yield, and uniform morphology, making it a promising avenue for enhancing the performance of LIBs electrode materials.
过渡金属氧化物（TMOs）因其多价态和独特的形态属性，已成为极具潜力的锂离子电池（LIBs）电极材料。尤其是双金属氧化物，能够缓解与锂合金化和去合金化过程相关的体积膨胀。尽管具有这些优点，金属氧化物通常仍存在一些缺点，如导电性差、循环稳定性有限以及容易锂化。为了解决电子导电率低、体积膨胀大和均匀性不足等难题，我们通过 "一锅 "溶热法合成了两种基于双金属氧化物的碳复合材料：ZnFe2O4@C 和 MnFe2O4@C。这些复合材料被包裹在由无水乙醇提取的碳壳中。值得注意的是，ZnFe2O4@C 和 MnFe2O4@C 的比放电容量超过了各自的单一金属氧化物。在电流密度为 100 mA g-1 的条件下进行近 300 次充放电操作后，ZnFe2O4@C 的特定放电容量为 1528 mAh g-1，而 MnFe2O4@C 的容量为 1283 mAh g-1。该合成方法简单、产率高、形貌均匀，是提高 LIBs 电极材料性能的一个很有前景的途径。
{"title":"Iron-based bimetallic oxide carbon composites with superior lithium storage capabilities serve as anode in lithium-ion batteries","authors":"Meng-Ting Li , Rong-Rong Liu , Ling-Yan Wang , Hai-Jun Wang , Jing-Wen Sun , 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}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号