European Journal of Inorganic Chemistry最新文献

Lone Pair–π Interaction-Assisted Oxidative Conversion of SO2 to Sulfate by a Phenyl-Appended Redox-Active Cu(II) Koneramine Complex 孤对-π相互作用辅助苯基附加氧化还原活性Cu(II) Koneramine配合物氧化转化SO2为硫酸盐

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-11-02 Epub Date: 2026-10-04 DOI: 10.1002/ejic.70327

Shruthi Dinesh, Neha Kumari, Ashutosh Vishwakarma, Raja Angamuthu

{"title":"Lone Pair–π Interaction-Assisted Oxidative Conversion of SO2 to Sulfate by a Phenyl-Appended Redox-Active Cu(II) Koneramine Complex","authors":"Shruthi Dinesh, Neha Kumari, Ashutosh Vishwakarma, Raja Angamuthu","doi":"10.1002/ejic.70327","DOIUrl":"https://doi.org/10.1002/ejic.70327","url":null,"abstract":"In this study, we have reported an approach to convert SO2 gas into sulfate dianions using a phenyl-appended koneramine complex. The Cu(II) koneramine complex [Cu(LPh)Cl2] was designed such that the incorporation of the phenyl moiety on the tertiary nitrogen of the koneramine backbone could facilitate weak interactions with sulfur dioxide (SO2). At the same time, the redox-active copper(II) ion enables electron transfer to SO2 upon addition of ferrocene, thereby forming sulfate dianions in the presence of atmospheric oxygen at room temperature. Control reactions were performed with [Zn(LPh)Cl2] to establish the necessity of a redox-active metal for facilitating electron transfer. Furthermore, investigations with carbon disulfide (CS2) showed no conversion by [Cu(LPh)Cl2]. Control experiments employing electronic absorption spectroscopy, cyclic voltammetry, and electrospray ionization spectrometry were conducted to provide mechanistic insights into these processes.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 31","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149311331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Nonmacrocyclic Phosphonic-Based Ligand for Theranostics Applications With 44/47Sc: From Complexation to Biodistribution 44/47Sc非大环膦基配体：从络合到生物分布

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-11-02 Epub Date: 2026-09-29 DOI: 10.1002/ejic.70333

Sandrine Huclier-Markai, Théo Demartinecourt, Shelbie J. Cingoranelli, Elsa Jourdain, Cyrille Alliot, Volkan Tekin, Loïc J. Charbonnière, Suzanne E. Lapi

{"title":"Nonmacrocyclic Phosphonic-Based Ligand for Theranostics Applications With 44/47Sc: From Complexation to Biodistribution","authors":"Sandrine Huclier-Markai, Théo Demartinecourt, Shelbie J. Cingoranelli, Elsa Jourdain, Cyrille Alliot, Volkan Tekin, Loïc J. Charbonnière, Suzanne E. Lapi","doi":"10.1002/ejic.70333","DOIUrl":"https://doi.org/10.1002/ejic.70333","url":null,"abstract":"Scandium isotopes are attractive theranostic radiometals for personalized medicine. Several ligands have been evaluated, and among them the gold standard DOTA, there is still an unmet need to have ligands that bind Sc without elevated temperatures and able to be functionalized to targeting vectors (peptides, antibodies). The complexation of scandium with a pyridyl moiety functionalized by two amino(methyl)bis(methylphosphonic) acid (Lp) has been evaluated. Complexation data have been obtained through free-ion selective radiotracer extraction method, displaying the formation of a mononuclear Sc-Lp complex with a conditional constant of log βapp = 6.0 ± 0.2 at pH 5. Complexes were fully characterized by 45Sc NMR, 1H NMR, and 31P NMR spectroscopy. Radiolabeling was performed at various temperatures in ammonium acetate buffer at pH 4.5, either with 44Sc eluted from a 44Ti generator or with 47Sc produced from a cyclotron. The radiolabeling yields were >98% at RT after 5 min of contact. The resulting [44,47Sc]Sc-Lp complexes exhibited good stability in serum and against hydroxyapatite over 48 h. The [47Sc]Sc-Lp complex injected in healthy mice (n = 3) showed a rapid clearance in kidneys. Lp ligand is thus a strong candidate to be further evaluated in vivo as a potential full theranostic radiopharmaceutical.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 31","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149312552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Stable, Reusable Copper-Bispidine Catalysts on Agarose With Diffusion-Limited Turnover: When Immobilization is not Covalent 稳定，可重复使用的铜-比斯必定催化剂在琼脂糖上的扩散限制翻翻：当固定不是共价的

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-11-02 Epub Date: 2026-10-06 DOI: 10.1002/ejic.70335

Nadjana Schneider, Sebastian Putz, Sebastian Fleer, Stefan Heißler, Eric Gottwald, Jonas Braun, André Tschöpe, Katharina Bleher

{"title":"Stable, Reusable Copper-Bispidine Catalysts on Agarose With Diffusion-Limited Turnover: When Immobilization is not Covalent","authors":"Nadjana Schneider, Sebastian Putz, Sebastian Fleer, Stefan Heißler, Eric Gottwald, Jonas Braun, André Tschöpe, Katharina Bleher","doi":"10.1002/ejic.70335","DOIUrl":"https://doi.org/10.1002/ejic.70335","url":null,"abstract":"In this study, we investigated whether copper(II)-bispidine complexes can be heterogenized on epoxy-functionalized agarose beads to provide reusable heterogeneous catalysts. The ligands employed are rigid N-donor systems based on the 3,7-‍diazabi‍cyclo[3.3.1]nonane scaffold, and the corresponding copper complexes are known to catalyze the aziridination of styrene. To enable covalent attachment to the epoxy groups of the beads, hydroxy-functionalized linkers were introduced into the ligand framework. However, immobilization was found to be dominated by noncovalent interactions. Nevertheless, only minimal copper leaching was observed, and the resulting immobilisates were reused over six consecutive reaction cycles. At high catalyst loadings, comparable yields of 17%–21% were obtained for the different complexes, indicating restricted active-site accessibility within the support. Lowering the catalyst loading markedly improved catalytic performance, resulting in average yields of approximately 40% over six cycles. Under these conditions, immobilization could even enhance the performance of otherwise slowly reacting complexes compared with homogeneous catalysis under air, possibly by restricting oxygen access to the active CuI species and alleviating mass-transport limitations associated with high catalyst loadings in heterogeneous systems. Overall, the results demonstrate that catalyst loading, active-site accessibility, and transport within the agarose matrix are key factors governing the performance of immobilized copper(II)-bispidine catalysts.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 31","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.70335","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149311543","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Optical and Chiroptical Properties of a Green-Emitting Tb(III) Complex Embedded in Silica Nanoparticles 嵌入二氧化硅纳米颗粒的绿色发光Tb（III）配合物的光学和热学性质

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-11-02 Epub Date: 2026-10-08 DOI: 10.1002/ejic.70331

Silvia Ruggieri, Lorenzo Arrico, Francesco Zinna, Lorenzo Di Bari, Kamila Maciejewska, Mirosław Karbowiak, Fabio Piccinelli

引用次数: 0

Reactivity of a Soft Indium-Based Frustrated Lewis Pair Towards Alkynes 软铟基受挫刘易斯对炔的反应性

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-11-02 Epub Date: 2026-10-06 DOI: 10.1002/ejic.70328

Daniel N. Heuer, Jan-Hendrik Lamm, Hans-Georg Stammler, Beate Neumann, Norbert W. Mitzel

{"title":"Reactivity of a Soft Indium-Based Frustrated Lewis Pair Towards Alkynes","authors":"Daniel N. Heuer, Jan-Hendrik Lamm, Hans-Georg Stammler, Beate Neumann, Norbert W. Mitzel","doi":"10.1002/ejic.70328","DOIUrl":"https://doi.org/10.1002/ejic.70328","url":null,"abstract":"The geminal pyridine stabilized frustrated Lewis pair (FLP) tBu2In(py)CH2PtBu2 (1·py) was reacted with various alkynes. 1·py does not react with PhC≡CH, however, it does with the unsymmetrically substituted PhC≡CSiMe3 and p-Br-C6H4C≡CSiMe3 under reversible formation of adducts. Unexpectedly, 1·py reacted with the terminal alkyne phenylacetylene as a “hidden” In/C-FLP, resulting in the formation of the neutral indium alkynyl tBu2InCCPh and loss of MePtBu2. Compared to this finding, the reaction of tri(tert-butyl)indium with phenylacetylene was slow and resulted in formation of equal amounts of tBu2InCCPh and cis-tert-butylstyrene. The reaction of 1·py with dimethylacetylenedicarboxylate is different from those of typical hard FLP systems, and leads to an 1,2-addition product to the C≡C triple bond instead of targeting the carbonyl function. The reaction with methylvinylketone results in the FLP-typical formation of an 1,4-addition product under formation of an indium–oxygen bond. For both adducts, the addition of a further equivalent of 1·py led to no further reaction. All obtained adducts were isolated and completely characterized via NMR spectroscopy and single crystal X-ray diffraction analyses.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 31","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.70328","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149311542","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Metal-Containing Hosts for Selective Recognition of Amino Acids and Their Derivatives 选择性识别氨基酸及其衍生物的含金属宿主

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-11-02 Epub Date: 2026-10-07 DOI: 10.1002/ejic.70313

Syadza Firdausiah, Shigehisa Akine

{"title":"Metal-Containing Hosts for Selective Recognition of Amino Acids and Their Derivatives","authors":"Syadza Firdausiah, Shigehisa Akine","doi":"10.1002/ejic.70313","DOIUrl":"https://doi.org/10.1002/ejic.70313","url":null,"abstract":"Amino acids and their derivatives are challenging targets for molecular recognition because they combine zwitterionic character, strong solvation, structural similarity, side-chain diversity, and chirality. Metal-containing hosts offer distinct advantages for addressing these challenges, as metal centers can enforce preorganization, define cavity geometry, introduce coordination sites, modulate charge distribution, and couple guest binding to optical, electrochemical, or chiroptical responses. This review summarizes discrete metal-containing host architectures for the recognition of amino acids and their derivatives, with an emphasis on host design and host–guest interactions, in addition to the role of metal centers. The discussion is organized by receptor class, including self-assembled coordination cages, metal-containing cavitands, metallacrowns, metallocryptands, porphyrin-based receptors, and open-chain metal-containing receptors. Across these systems, recognition is achieved through different combinations of metal coordination, hydrogen bonding, electrostatic attraction, hydrophobic effects, steric fit, and chiral induction. The review also highlights current limitations, including modest selectivity in many systems, reliance on protected or derivatized amino acids, and incomplete structural characterization of binding modes. Finally, emerging sensing and functional materials based on amino acid recognition are discussed, suggesting that metal-assisted amino acid recognition is moving beyond classical equilibrium binding toward analytical and functional applications.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 31","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149311574","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Bioinspired Heme and NonHeme Metal Complexes as Electrocatalysts for Nitrate and Nitrite Reduction 生物激发血红素和非血红素金属配合物作为硝酸盐和亚硝酸盐还原的电催化剂

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-11-02 Epub Date: 2026-10-08 DOI: 10.1002/ejic.70337

Neekita Dutta, Anukampita Borah, Satyawati deka, Biplob Borah, Sachidulal Biswas

{"title":"Bioinspired Heme and NonHeme Metal Complexes as Electrocatalysts for Nitrate and Nitrite Reduction","authors":"Neekita Dutta, Anukampita Borah, Satyawati deka, Biplob Borah, Sachidulal Biswas","doi":"10.1002/ejic.70337","DOIUrl":"https://doi.org/10.1002/ejic.70337","url":null,"abstract":"Excess nitrate (NO3−) and nitrite (NO2−) from agricultural and industrial sources are major water pollutants and precursors of greenhouse gases. The electrocatalytic reduction of NO3−/NO2− is regarded as a sustainable solution for the remediation of contaminated water and a method for producing ammonia (NH3) under ambient conditions. In this review, molecular electrocatalyst macrocycles derived from heme, such as porphyrins and phthalocyanines, and nonheme complexes for NO3−/NO2− reduction are presented. Based on enzymes such as molybdenum-dependent nitrate reductases and copper- or heme-containing nitrite reductases, representative synthetic enzymes are discussed in terms of their mechanisms, catalytic parameters, ligand effects, product selectivity, and stability. The conversion of NO2− to NH3 is the most prominent application of heme-type Fe and Co macrocycles Nonheme systems, such as Cu polypyridines, Ni diamine, or Fe/Co N-donor complexes, can also produce NO, N2O, or NH3 by varying the ligand environment or pH. We identified some advances, such as high turnover frequencies, elucidation of the competitive proton-coupled electron transfer (PCET) and atom transfer pathways, and new strategies for increased durability. Finally, the principles of second-sphere proton relay and electronic tuning are discussed, and the opportunities for embedding macrocycles within conductive frameworks and emulating multisite enzymatic architectures to create efficient and robust electrocatalysts for nitrogen oxide (NOx) remediation and green NH3 production are outlined.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 31","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149311594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Hydroflux Access to Hydroxide-Free Yttrium Oxovanadate and Arsenite Layers: K6[Y(VO4)3]·2H2O, K6[Y(VO4)3], and Na3[Y(AsO3)2] 无氢氧化物氧化钒酸钇和亚砷酸钇层的流体通量：K6[Y(VO4)3]·2H2O、K6[Y(VO4)3]和Na3[Y(AsO3)2]

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-11-02 Epub Date: 2026-09-29 DOI: 10.1002/ejic.70336

Yuxi Li, Michael Ruck

{"title":"Hydroflux Access to Hydroxide-Free Yttrium Oxovanadate and Arsenite Layers: K6[Y(VO4)3]·2H2O, K6[Y(VO4)3], and Na3[Y(AsO3)2]","authors":"Yuxi Li, Michael Ruck","doi":"10.1002/ejic.70336","DOIUrl":"https://doi.org/10.1002/ejic.70336","url":null,"abstract":"Hydroflux synthesis provides access to crystalline rare-earth compounds from highly concentrated alkaline media at comparatively low temperatures. Under these conditions, hydroxide coordination commonly dominates, and many rare-earth hydroflux products are hydroxides, hydroxometalates, or mixed oxo-hydroxo compounds. The yttrium compounds reported here represent a different structural outcome: highly connected oxometalate frameworks in which hydroxide ligands are absent from the Y3+ coordination sphere. K6[Y(VO4)3]·2H2O crystallizes from KOH hydroflux as a layered oxovanadate (V) containing honeycomb-type <math></math>Y(VO4)3]6– sheets, in which [YO6] octahedra are linked by corner-sharing [VO4] tetrahedra; K+ cations and water molecules occupy the interlayer region. Thermal dehydration yields K6[Y(VO4)3] with retention of the primary Y─O─V connectivity, while the layer stacking and potassium coordination are reorganized. Na3[Y(AsO3)2] is obtained from NaOH hydroflux and contains <math></math>Y(AsO3)2]3– layers built from corner-sharing [YO6] octahedra and trigonal-pyramidal [AsO3] groups. These compounds show that highly charged oxoanions can complete the coordination sphere of Y3+ cations and suppress hydroxide incorporation in hydroflux media. Eu3+-doped K6[Y(VO4)3] 2H2O displays red emission under UV irradiation, providing qualitative evidence that the hydroxide-free oxovanadate framework can accommodate luminescent rare-earth cations as optically active centers.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 31","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.70336","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149312550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Tris(pyrrole-2-aldiminate) Complexes of Ruthenium(III): Synthesis, Structure, Formation Mechanism, and Isomer Preference 钌（III）的三（吡咯-2-醛缩）配合物：合成、结构、形成机理和异构体偏好

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-10-22 Epub Date: 2026-09-28 DOI: 10.1002/ejic.70326

Rupam Sinha, Binoy Ghosh, Anushri Chandra, Samaresh Bhattacharya

{"title":"Tris(pyrrole-2-aldiminate) Complexes of Ruthenium(III): Synthesis, Structure, Formation Mechanism, and Isomer Preference","authors":"Rupam Sinha, Binoy Ghosh, Anushri Chandra, Samaresh Bhattacharya","doi":"10.1002/ejic.70326","DOIUrl":"https://doi.org/10.1002/ejic.70326","url":null,"abstract":"Reaction of four pyrrole-2-aldimines (HL-R; R = OCH3, CH3, H, and Cl) with [Ru(PPh3)3Cl2] in 2:1 molar ratio in refluxing toluene furnished tris complexes of type [RuIII(L-R)3], instead of the expected bis complex of type [RuII(PPh3)2(L-R)2]. Each tris complex was isolated as facial (fac) and meridional (mer) isomers. The individual complexes are referred to as fac-1 and mer-1 (R = OCH3); fac-2 and mer-2 (R = CH3); fac-3 and mer-3 (R = H); and fac-4 and mer-4 (R = Cl). The formation mechanism was probed with the help of DFT calculations, which revealed that the formation sequences are thermodynamically controlled. Reaction of HL-R with [Ru(PPh3)3Cl2] proceeds via formation of [RuII(PPh3)2(L-R)2], which rapidly reacts with a third equivalent of HL-R and furnishes [RuIII(L-R)3]. The elusive nature of [RuII(PPh3)2(L-R)2] is indicative of the slower rate of its formation, compared to the rate of its conversion to [RuIII(L-R)3]. All the complexes were characterized by mass, IR, EPR, and UV–vis spectra. Molecular structures of mer-1, mer-2 and fac-4 were determined by single crystal X-ray diffraction analysis. Cyclic voltammetry on the complexes showed a Ru(III)–Ru(IV) oxidation within 0.88–1.11 V versus saturated calomel reference electrode (SCE) and a Ru(III)–Ru(II) reduction within −0.40 to −0.57 V versus SCE.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 30","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149235353","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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, Characterization, In Vitro Antibacterial Activity, and Molecular Docking Simulation of a Novel Two-Dimensional Silver Coordination Polymer With Bridged Sulfonamide Ligand 一种新型带桥接磺胺配体的二维银配位聚合物的制备、表征、体外抗菌活性及分子对接模拟

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-10-22 Epub Date: 2026-09-22 DOI: 10.1002/ejic.70316

Parisa Dehghan, Masoumeh Tabatabaee, Seyed Morteza Seifati, Michal Dušek, Monika Kučeráková

{"title":"Preparation, Characterization, In Vitro Antibacterial Activity, and Molecular Docking Simulation of a Novel Two-Dimensional Silver Coordination Polymer With Bridged Sulfonamide Ligand","authors":"Parisa Dehghan, Masoumeh Tabatabaee, Seyed Morteza Seifati, Michal Dušek, Monika Kučeráková","doi":"10.1002/ejic.70316","DOIUrl":"https://doi.org/10.1002/ejic.70316","url":null,"abstract":"4-methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide (L) was prepared from the reaction of p-toluenesulfonyl chloride with 4-amino-4H-1,2,4-triazole. The reaction of L with AgNO3 led to a novel silver coordination polymer [Ag2(L)2]2. L was characterized by elemental analysis, IR spectroscopy, and 1H-NMR, and 1 was characterized by IR spectroscopy, elemental analysis, and X-ray diffraction. According to structural analysis, the polymeric complex contains Ag(I) ions bridged by deprotonated sulfonamide ligand. Each ligand ion is connected to four Ag(I) ions via its two endocyclic nitrogen atoms of 1,2,4-triazole moiety, a nitrogen atom, and an oxygen atom of the sulfonamide functional group. The Ag(I) ion is four-coordinated by one oxygen and three nitrogen atoms of four different ligands, resulting in a distorted tetrahedral arrangement. The antibacterial assay demonstrated that compound 1 exhibited moderate to considerable inhibitory action against the examined microorganisms, with MIC values ranging from 0.078 to 2.5 mg/mL. A molecular docking simulation proved that 1 interacts efficiently with E. coli dihydropteroate synthase (DHPS), consistent with their demonstrated biological activity. The docking results revealed a favorable binding conformation with a RMSD of 4.5 and a binding free energy of −3.43 kcal/mol. The results demonstrate the potential of 1 as a promising candidate for a lead antibacterial agent.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 30","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149235392","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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