Pub Date : 2025-12-25DOI: 10.1016/j.inoche.2025.116101
Yue Xu , Zhao Wang , Zizhen Wu , Xuan Li , Xu Bi , Guangying Feng , Ningyi Li
Coal gangue (CG) was encapsulated into lanthanum alginate and calcium alginate to synthesize bimetallic modified coal gangue-alginate composite hydrogel beads (La-Ca/CG-SA), and their adsorption potential towards fluoride (F−) from groundwater was investigated. Under optimal conditions (preparation parameters: CG dosage 6 %, La/Ca ratio 1:2, and crosslinking time 24 h; operational parameters: adsorbent dosage 0.3 g L−1, pH 6.0, and F− concentration 3 mg L−1), the maximum adsorption capacity of F− was achieved (15.7 mg g−1 and 87.8 %). Kinetic results indicated that the adsorption process of F− by La-Ca/CG-SA followed the pseudo-second-order model (R2 > 0.95). Coexisting ion experiments suggested that La-Ca/CG-SA exhibited high selectivity for F−. Additionally, La-Ca/CG-SA maintained superior F− removal performance (81.5 %) after five cycles. Electrostatic interaction, inner-sphere complexation, chemical precipitation, and ion exchange were demonstrated to drive the F− immobilization. This study provides novel insights into the resource utilization of CG and the development of high-performance hydrogel adsorbents, offering potential application value in treating fluoride-contaminated groundwater.
{"title":"Lanthanum‑calcium modified coal gangue-alginate composite hydrogel beads for efficient fluoride removal from groundwater","authors":"Yue Xu , Zhao Wang , Zizhen Wu , Xuan Li , Xu Bi , Guangying Feng , Ningyi Li","doi":"10.1016/j.inoche.2025.116101","DOIUrl":"10.1016/j.inoche.2025.116101","url":null,"abstract":"<div><div>Coal gangue (CG) was encapsulated into lanthanum alginate and calcium alginate to synthesize bimetallic modified coal gangue-alginate composite hydrogel beads (La-Ca/CG-SA), and their adsorption potential towards fluoride (F<sup>−</sup>) from groundwater was investigated. Under optimal conditions (preparation parameters: CG dosage 6 %, La/Ca ratio 1:2, and crosslinking time 24 h; operational parameters: adsorbent dosage 0.3 g L<sup>−1</sup>, pH 6.0, and F<sup>−</sup> concentration 3 mg L<sup>−1</sup>), the maximum adsorption capacity of F<sup>−</sup> was achieved (15.7 mg g<sup>−1</sup> and 87.8 %). Kinetic results indicated that the adsorption process of F<sup>−</sup> by La-Ca/CG-SA followed the pseudo-second-order model (R<sup>2</sup> > 0.95). Coexisting ion experiments suggested that La-Ca/CG-SA exhibited high selectivity for F<sup>−</sup>. Additionally, La-Ca/CG-SA maintained superior F<sup>−</sup> removal performance (81.5 %) after five cycles. Electrostatic interaction, inner-sphere complexation, chemical precipitation, and ion exchange were demonstrated to drive the F<sup>−</sup> immobilization. This study provides novel insights into the resource utilization of CG and the development of high-performance hydrogel adsorbents, offering potential application value in treating fluoride-contaminated groundwater.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116101"},"PeriodicalIF":5.4,"publicationDate":"2025-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838880","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 growing demand for sustainable and high-efficiency energy technologies has sped up the search for new materials that can enable energy conversion and storage technologies of the future. We provide a thorough first-principles analysis of two aluminum-based halide perovskites, AlSnCl₃ and AlSnBr₃, and analyses their structural, electronic, mechanical, and optical properties. Our results show that both compounds are structurally stable and have perovskite-like frameworks, while electronic band structure analysis reveals indirect band gaps, with AlSnCl₃ having a wider gap than AlSnBr₃, indicating potential for tuning their optoelectronic behaviour. Mechanical analysis confirms their elastic stability and ductile nature, which is beneficial for device integration and long-term reliability. Optical investigations further show strong ultraviolet absorption, low reflectivity, and desirable optical conductivity, highlighting their potential for efficient light-harvesting applications. To relate these intrinsic properties to practical device performance, we used SCAPS-1D simulations to design and optimize a double-absorber solar cell with the architecture Au/AlSnBr₃/AlSnCl₃/ZnO/ITO. The optimized device achieved a promising power conversion efficiency of 21.57%, with an open-circuit voltage (VOC) of 0.53 V, short-circuit current density (JSC) of 51.26 mA/cm2, and fill factor (FF) of 79.31%. These findings establish a direct connection between the fundamental properties of AlSnCl₃ and AlSnBr₃ and their photovoltaic response at the device level. Overall, this study positions AlSnCl₃ and AlSnBr₃ as promising lead-free options for perovskite solar cells, combining favorable material characteristics with high simulated performance, offering a sustainable pathway toward environmentally friendly and efficient optoelectronic devices.
{"title":"From electronic structure to device performance: A DFT and SCAPS-1D investigation of AlSnX₃ (X = cl, Br) perovskites","authors":"Sudipta Dash , Debidatta Behera , Ipsita Mohanty , Aiswarya Priyambada , Sushanta Kumar Sahoo","doi":"10.1016/j.inoche.2025.116106","DOIUrl":"10.1016/j.inoche.2025.116106","url":null,"abstract":"<div><div>The growing demand for sustainable and high-efficiency energy technologies has sped up the search for new materials that can enable energy conversion and storage technologies of the future. We provide a thorough first-principles analysis of two aluminum-based halide perovskites, AlSnCl₃ and AlSnBr₃, and analyses their structural, electronic, mechanical, and optical properties. Our results show that both compounds are structurally stable and have perovskite-like frameworks, while electronic band structure analysis reveals indirect band gaps, with AlSnCl₃ having a wider gap than AlSnBr₃, indicating potential for tuning their optoelectronic behaviour. Mechanical analysis confirms their elastic stability and ductile nature, which is beneficial for device integration and long-term reliability. Optical investigations further show strong ultraviolet absorption, low reflectivity, and desirable optical conductivity, highlighting their potential for efficient light-harvesting applications. To relate these intrinsic properties to practical device performance, we used SCAPS-1D simulations to design and optimize a double-absorber solar cell with the architecture Au/AlSnBr₃/AlSnCl₃/ZnO/ITO. The optimized device achieved a promising power conversion efficiency of 21.57%, with an open-circuit voltage (V<sub>OC</sub>) of 0.53 V, short-circuit current density (JSC) of 51.26 mA/cm<sup>2</sup>, and fill factor (FF) of 79.31%. These findings establish a direct connection between the fundamental properties of AlSnCl₃ and AlSnBr₃ and their photovoltaic response at the device level. Overall, this study positions AlSnCl₃ and AlSnBr₃ as promising lead-free options for perovskite solar cells, combining favorable material characteristics with high simulated performance, offering a sustainable pathway toward environmentally friendly and efficient optoelectronic devices.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116106"},"PeriodicalIF":5.4,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881769","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 : 2025-12-24DOI: 10.1016/j.inoche.2025.116080
Jing Yang , Tuya Naren , Ziqiang Wan , Xuyan Zhao , Shiyu Lu , Lixiang Wang , Xiaoli Wang
Facing the dual challenges of solid waste coal gangue resource utilization and antibiotic pollution in water bodies, this study synthesized zeolite X using coal gangue as raw material and prepared TiO₂-loaded zeolite composite materials (TX) via the impregnation method. The composite was systematically characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FT-IR), ultraviolet-visible diffuse reflectance spectroscopy (UV–Vis DRS), and X-ray photoelectron spectroscopy (XPS). The composite exhibits a narrow bandgap of 2.54 eV, significantly enhancing visible light absorption. Among composites with different TiO₂ loadings (10 %–50 %), it was found that the 40 %–TX composite demonstrated exceptional tetracycline (TC) removal through synergistic adsorption-photocatalysis. It achieved 70.5 % adsorption efficiency within 1 h (obeying pseudo-second-order kinetics, R2 = 0.9916) and attained 87.5 % photocatalytic degradation under visible-light irradiation (λ ≥ 420 nm), with a rate constant (k) of 0.2678 h−1. This degradation efficiency represents a 76.4 % enhancement over pristine zeolite X.Mechanistic studies indicate that hydroxyl radicals (·OH) and holes (h+) are the primary active species driving the photocatalytic degradation of tetracycline. The composite exhibited tetracycline removal of >76.2 % after four cycles. Its removal exceeded 80 % across pH 5–11. This study provides a novel approach for the high-value utilization of solid waste and the treatment of refractory organic wastewater.
{"title":"TiO₂-loaded coal gangue-derived zeolite X: Efficient synergistic adsorption-photocatalytic degradation of tetracycline","authors":"Jing Yang , Tuya Naren , Ziqiang Wan , Xuyan Zhao , Shiyu Lu , Lixiang Wang , Xiaoli Wang","doi":"10.1016/j.inoche.2025.116080","DOIUrl":"10.1016/j.inoche.2025.116080","url":null,"abstract":"<div><div>Facing the dual challenges of solid waste coal gangue resource utilization and antibiotic pollution in water bodies, this study synthesized zeolite X using coal gangue as raw material and prepared TiO₂-loaded zeolite composite materials (TX) via the impregnation method. The composite was systematically characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FT-IR), ultraviolet-visible diffuse reflectance spectroscopy (UV–Vis DRS), and X-ray photoelectron spectroscopy (XPS). The composite exhibits a narrow bandgap of 2.54 eV, significantly enhancing visible light absorption. Among composites with different TiO₂ loadings (10 %–50 %), it was found that the 40 %–TX composite demonstrated exceptional tetracycline (TC) removal through synergistic adsorption-photocatalysis. It achieved 70.5 % adsorption efficiency within 1 h (obeying pseudo-second-order kinetics, R<sup>2</sup> = 0.9916) and attained 87.5 % photocatalytic degradation under visible-light irradiation (<em>λ</em> ≥ 420 nm), with a rate constant (<em>k</em>) of 0.2678 h<sup>−1</sup>. This degradation efficiency represents a 76.4 % enhancement over pristine zeolite X.Mechanistic studies indicate that hydroxyl radicals (·OH) and holes (h<sup>+</sup>) are the primary active species driving the photocatalytic degradation of tetracycline. The composite exhibited tetracycline removal of >76.2 % after four cycles. Its removal exceeded 80 % across pH 5–11. This study provides a novel approach for the high-value utilization of solid waste and the treatment of refractory organic wastewater.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116080"},"PeriodicalIF":5.4,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881700","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 : 2025-12-24DOI: 10.1016/j.inoche.2025.116045
Bhupinder Kour, Sandeep Kaushik, T. Sekar
Nanotechnology has evolved into a revolutionary discipline with significant applications in environmental remediation, healthcare, agriculture, and energy. Metal and metal oxide nanoparticles (NPs) are central to these advances due to their unique physicochemical properties, including high surface-to-volume ratios, tunable band gaps, and enhanced catalytic and adsorptive abilities. However, conventional synthesis methods often rely on toxic chemicals and high energy inputs, underscoring the need for environmentally responsible approaches. This review examines plant-mediated biosynthesis of metal oxide nanoparticles as a sustainable and cost-effective strategy that addresses these limitations. By summarizing recent developments in the use of various plant parts for nanoparticle formation, the review highlights how green synthesis enables improved control over nanoparticle size, morphology, and functionality. Critical assessments of the major application areas, from antimicrobial activity and dye degradation to metal ion remediation, agricultural enhancement, biosensing, and medical diagnostics, are critically evaluated to illustrate the versatility of biosynthesized nanoparticles without overemphasizing isolated performance values. Moreover, the review addresses fundamental synthesis approaches (top-down and bottom-up), critical reaction parameters (pH, temperature, stirring rate), and structural classifications (0D to 3D) of nanomaterials. By integrating these perspectives, the work identifies existing challenges such as scalability, stability, and reproducibility, and outlines future opportunities for advancing green nanotechnology. Overall, the review highlights the broader implications of plant-based nanoparticle synthesis as a promising pathway toward safer, more sustainable solutions for environmental management, agricultural productivity, and public health.
{"title":"Plant-mediated green synthesis of metal-based nanomaterials and potent environmental applications: A review","authors":"Bhupinder Kour, Sandeep Kaushik, T. Sekar","doi":"10.1016/j.inoche.2025.116045","DOIUrl":"10.1016/j.inoche.2025.116045","url":null,"abstract":"<div><div>Nanotechnology has evolved into a revolutionary discipline with significant applications in environmental remediation, healthcare, agriculture, and energy. Metal and metal oxide nanoparticles (NPs) are central to these advances due to their unique physicochemical properties, including high surface-to-volume ratios, tunable band gaps, and enhanced catalytic and adsorptive abilities. However, conventional synthesis methods often rely on toxic chemicals and high energy inputs, underscoring the need for environmentally responsible approaches. This review examines plant-mediated biosynthesis of metal oxide nanoparticles as a sustainable and cost-effective strategy that addresses these limitations. By summarizing recent developments in the use of various plant parts for nanoparticle formation, the review highlights how green synthesis enables improved control over nanoparticle size, morphology, and functionality. Critical assessments of the major application areas, from antimicrobial activity and dye degradation to metal ion remediation, agricultural enhancement, biosensing, and medical diagnostics, are critically evaluated to illustrate the versatility of biosynthesized nanoparticles without overemphasizing isolated performance values. Moreover, the review addresses fundamental synthesis approaches (top-down and bottom-up), critical reaction parameters (pH, temperature, stirring rate), and structural classifications (0D to 3D) of nanomaterials. By integrating these perspectives, the work identifies existing challenges such as scalability, stability, and reproducibility, and outlines future opportunities for advancing green nanotechnology. Overall, the review highlights the broader implications of plant-based nanoparticle synthesis as a promising pathway toward safer, more sustainable solutions for environmental management, agricultural productivity, and public health.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116045"},"PeriodicalIF":5.4,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881705","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 : 2025-12-23DOI: 10.1016/j.inoche.2025.116081
Bui Thi Thao Nguyen , Phan Vien Nguyen , Nhi Tru Nguyen , Pham Trung Kien , Tran Hoang Minh , Thanh Ngoc Nguyen , Liem Thanh Pham , Man Van Tran , Quoc Hai Nguyen , Tuan Loi Nguyen , To Giang Tran
In the present work, composites of SnO2 and biocarbon from cashew residue were applied and reported for the first time as anode materials of Li-ion batteries. The composites were developed via a two-step synthesis route consisting of pretreating the cashew residue to create biocarbon, followed by compositing the biocarbon with SnO2. The calcination temperatures were set at 400 °C and 500 °C, and the synthesized samples were denoted as SOC400 and SOC500, respectively. These temperature points were chosen to be significantly lower than those used in previous studies to reduce production costs and enhance commercial competitiveness. The properties and morphologies of the SOC materials were investigated using advanced analyses, which revealed that the composites contained SnO2 nanoparticles approximately 9–10 nm in size, present in both crystalline and amorphous phases and homogeneously distributed on the biocarbon sheets. Due to this characteristic structure, the SOC400 electrode demonstrated impressive performance with the capacity maintained at 739 mAh g−1 after 150 cycles. Besides, the rate-capacity test demonstrated the effective performance of SOC electrodes at high current densities, with capacities reaching 632 and 742 mAh g−1 for the SOC400 and SOC500 electrodes at 3 A g−1, respectively. Electrochemical impedance spectrum analysis confirmed that the SOC400 electrode had a lower total resistance than the SOC500 electrode. In addition, kinetic analysis indicated that the charge storage via pseudocapacitance mechanism of the SOC400 electrode was more robust than that of the SOC500 electrode. Combining high capacity, notable cycling stability, high pseudocapacitance, and good rate capability, the SOC400 material is considered a prospective anode material for future Li-ion batteries.
本文首次报道了腰果渣氧化锡与生物碳复合材料作为锂离子电池负极材料的应用。通过对腰果渣进行预处理制备生物炭，再将生物炭与SnO2复合，两步法合成了该复合材料。煅烧温度分别为400℃和500℃，合成的样品分别记为SOC400和SOC500。这些温度点的选择明显低于以往的研究，以降低生产成本，提高商业竞争力。采用先进的分析方法研究了有机碳材料的性能和形貌，结果表明，复合材料含有约9-10 nm大小的SnO2纳米颗粒，以晶体和非晶相的形式存在，并均匀分布在生物碳片上。由于这种特征结构，SOC400电极表现出令人印象深刻的性能，在150次循环后容量保持在739 mAh g−1。此外，速率-容量测试表明，SOC电极在高电流密度下的有效性能，SOC400和SOC500电极在3a g - 1下的容量分别达到632和742 mAh g - 1。电化学阻抗谱分析证实，SOC400电极的总电阻低于SOC500电极。此外，动力学分析表明，SOC400电极通过赝电容机制的电荷存储比SOC500电极更稳健。SOC400材料具有高容量、显著的循环稳定性、高赝电容和良好的倍率能力，被认为是未来锂离子电池极具前景的负极材料。
{"title":"Simple fabrication of green materials from tin dioxide and biocarbon from cashew residue as anodes for advanced Li-ion batteries","authors":"Bui Thi Thao Nguyen , Phan Vien Nguyen , Nhi Tru Nguyen , Pham Trung Kien , Tran Hoang Minh , Thanh Ngoc Nguyen , Liem Thanh Pham , Man Van Tran , Quoc Hai Nguyen , Tuan Loi Nguyen , To Giang Tran","doi":"10.1016/j.inoche.2025.116081","DOIUrl":"10.1016/j.inoche.2025.116081","url":null,"abstract":"<div><div>In the present work, composites of SnO<sub>2</sub> and biocarbon from cashew residue were applied and reported for the first time as anode materials of Li-ion batteries. The composites were developed via a two-step synthesis route consisting of pretreating the cashew residue to create biocarbon, followed by compositing the biocarbon with SnO<sub>2</sub>. The calcination temperatures were set at 400 °C and 500 °C, and the synthesized samples were denoted as SOC400 and SOC500, respectively. These temperature points were chosen to be significantly lower than those used in previous studies to reduce production costs and enhance commercial competitiveness. The properties and morphologies of the SOC materials were investigated using advanced analyses, which revealed that the composites contained SnO<sub>2</sub> nanoparticles approximately 9–10 nm in size, present in both crystalline and amorphous phases and homogeneously distributed on the biocarbon sheets. Due to this characteristic structure, the SOC400 electrode demonstrated impressive performance with the capacity maintained at 739 mAh g<sup>−1</sup> after 150 cycles. Besides, the rate-capacity test demonstrated the effective performance of SOC electrodes at high current densities, with capacities reaching 632 and 742 mAh g<sup>−1</sup> for the SOC400 and SOC500 electrodes at 3 A g<sup>−1</sup>, respectively. Electrochemical impedance spectrum analysis confirmed that the SOC400 electrode had a lower total resistance than the SOC500 electrode. In addition, kinetic analysis indicated that the charge storage via pseudocapacitance mechanism of the SOC400 electrode was more robust than that of the SOC500 electrode. Combining high capacity, notable cycling stability, high pseudocapacitance, and good rate capability, the SOC400 material is considered a prospective anode material for future Li-ion batteries.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116081"},"PeriodicalIF":5.4,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838785","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 : 2025-12-23DOI: 10.1016/j.inoche.2025.116086
Ayşe Kazanci Dağ , Abdulmecit Gul , Sabahattin Cömertpay , Ugur Comlekcioglu , Muhammet Köse
Two novel Mn(II) complexes featuring tripodal ligands, [Mn(L333)](ClO4)2 (where L333 is [3-{[(pyridin-2-yl)methylidene]amino}-N,N-bis(3-{[(pyridin-2-yl)methylidene]amino}propyl) propan-1-amine]) and [Mn(L223)](ClO4)2 (where L223 is [3-{[(pyridin-2-yl)methylidene]amino}-N,N-bis(2-{[(pyridin-2-yl)methylidene]amino}ethyl)propan-1-amine]), were synthesized and comprehensively characterized by elemental analysis, FTIR, MALDI-TOF mass spectrometry, and single-crystal X-ray diffraction. Structural analyses revealed mononuclear seven-coordinate Mn(II) centers adopting a monocapped antitrigonal prismatic geometry, with the perchlorate anions remaining non-coordinating. The cytotoxic properties of the complexes were evaluated in healthy HUVEC and cancerous OUMS cells, which exhibited similar IC₅₀ values (3.02–3.58 μM), indicating that the compounds exert non-selective cytotoxicity toward both cell types. In addition, the ability of the complexes to modulate recombinant anaerobic fungal cellulase (Cel1A) and xylanase (Xyn1B) was examined. Both complexes enhanced enzymatic activity in a concentration-dependent manner, with [Mn(L333)](ClO4)2 showing pronounced activation at lower concentrations. These findings highlight the dual functional relevance of Mn(II) tripodal complexes, demonstrating both notable cytotoxic potential and promising stimulatory effects on key fibrolytic enzymes.
{"title":"Two seven-coordinate Mn(II) complexes from tripodal ligands: synthesis, crystal structures, cytotoxic properties and enzymatic activities","authors":"Ayşe Kazanci Dağ , Abdulmecit Gul , Sabahattin Cömertpay , Ugur Comlekcioglu , Muhammet Köse","doi":"10.1016/j.inoche.2025.116086","DOIUrl":"10.1016/j.inoche.2025.116086","url":null,"abstract":"<div><div>Two novel Mn(II) complexes featuring tripodal ligands, [Mn(L<sup>333</sup>)](ClO<sub>4</sub>)<sub>2</sub> (where L<sup>333</sup> is [3-{[(pyridin-2-yl)methylidene]amino}-<em>N</em>,<em>N</em>-bis(3-{[(pyridin-2-yl)methylidene]amino}propyl) propan-1-amine]) and [Mn(L<sup>223</sup>)](ClO<sub>4</sub>)<sub>2</sub> (where L<sup>223</sup> is [3-{[(pyridin-2-yl)methylidene]amino}-<em>N</em>,<em>N</em>-bis(2-{[(pyridin-2-yl)methylidene]amino}ethyl)propan-1-amine]), were synthesized and comprehensively characterized by elemental analysis, FTIR, MALDI-TOF mass spectrometry, and single-crystal X-ray diffraction. Structural analyses revealed mononuclear seven-coordinate Mn(II) centers adopting a monocapped antitrigonal prismatic geometry, with the perchlorate anions remaining non-coordinating. The cytotoxic properties of the complexes were evaluated in healthy HUVEC and cancerous OUMS cells, which exhibited similar IC₅₀ values (3.02–3.58 μM), indicating that the compounds exert non-selective cytotoxicity toward both cell types. In addition, the ability of the complexes to modulate recombinant anaerobic fungal cellulase (Cel1A) and xylanase (Xyn1B) was examined. Both complexes enhanced enzymatic activity in a concentration-dependent manner, with [Mn(L<sup>333</sup>)](ClO<sub>4</sub>)<sub>2</sub> showing pronounced activation at lower concentrations. These findings highlight the dual functional relevance of Mn(II) tripodal complexes, demonstrating both notable cytotoxic potential and promising stimulatory effects on key fibrolytic enzymes.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116086"},"PeriodicalIF":5.4,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838874","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}
NiFe layered double hydroxides (NiFe-LDHs) with tunable electronic structure properties exhibit excellent oxygen evolution reaction (OER) activity. Herein, a Ni3S2/NiFe-LDH heterostructure catalyst on a nickel foam (NF) substrate was successfully prepared via a facile stepwise electrodeposition method. Scanning electron microscopy (SEM) reveals that the enhanced OER performance mainly can be attributed to the popcorn-like nanostructure (approximately 140 nm in diameter) of Ni3S2/NiFe-LDH360/NF, which can effectively increase specific surface area and expose abundant active sites for OER. Electrochemical testing revealed that the Ni3S2/NiFe-LDH360/NF with a 360-s deposition time exhibits an overpotential of only 145 mV to achieve a current density of 10 mA/cm2 in 1 M KOH solution, a Tafel slope as low as 81 mV dec−1. Moreover, the reduced charge transfer resistance as well as the electron redistribution between Fe and Ni element were observed, which also can efficient promote OER performance. In addition, the catalyst shows excellent stability with maintained exceptional activity retention after 5000 cycles. This study demonstrates an innovative approach to engineering non-noble metal catalysts with superior efficiency for the OER.
{"title":"Electrodeposition of Ni3S2/NiFe-LDH heterostructure as efficient electrocatalyst for oxygen evolution reaction","authors":"Shuangshuang Liu , Yatong Feng , Yangyang Zhang , Xiaopeng Yue , Fanshuai Meng , Shikai Shen","doi":"10.1016/j.inoche.2025.116084","DOIUrl":"10.1016/j.inoche.2025.116084","url":null,"abstract":"<div><div>NiFe layered double hydroxides (NiFe-LDHs) with tunable electronic structure properties exhibit excellent oxygen evolution reaction (OER) activity. Herein, a Ni<sub>3</sub>S<sub>2</sub>/NiFe-LDH heterostructure catalyst on a nickel foam (NF) substrate was successfully prepared via a facile stepwise electrodeposition method. Scanning electron microscopy (SEM) reveals that the enhanced OER performance mainly can be attributed to the popcorn-like nanostructure (approximately 140 nm in diameter) of Ni<sub>3</sub>S<sub>2</sub>/NiFe-LDH<sub>360</sub>/NF, which can effectively increase specific surface area and expose abundant active sites for OER. Electrochemical testing revealed that the Ni<sub>3</sub>S<sub>2</sub>/NiFe-LDH<sub>360</sub>/NF with a 360-s deposition time exhibits an overpotential of only 145 mV to achieve a current density of 10 mA/cm<sup>2</sup> in 1 M KOH solution, a Tafel slope as low as 81 mV dec<sup>−1</sup>. Moreover, the reduced charge transfer resistance as well as the electron redistribution between Fe and Ni element were observed, which also can efficient promote OER performance. In addition, the catalyst shows excellent stability with maintained exceptional activity retention after 5000 cycles. This study demonstrates an innovative approach to engineering non-noble metal catalysts with superior efficiency for the OER.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116084"},"PeriodicalIF":5.4,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881701","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}
Despite extensive efforts, only limited breakthroughs have been made in developing low-cost, efficient, and durable electrocatalysts. In this context, coordination polymers have emerged as promising sustainable catalysts, offering low overpotentials and high durability for electrocatalytic applications related to energy and environmental challenges. In this work, a parqueted two-dimensional (2D) polymeric chain, [C18H16CuF2N2O2]n (Cu-polymer), has been constructed by using fluorinated Schiff base [N,N′-bis (5-fluoro-salicylidene)-butanediamine] (H2L) ligand by a facile, simple, slow evaporation route. Its formation is validated by UV, FTIR, and single-crystal X-ray diffraction (SCXRD). Cu-polymer crystallizes in a monoclinic system with the C2/c space group, forming polymeric chains composed of alternating Cu2O2 and Cu2N4C8 rectangular grid layers. XPS analyses show that the Cu center is in +2 oxidation state. TGA outcomes indicate that the Cu-polymer is thermally stable up to ∼317 °C. Cu-polymer displays better HER performance, achieving a current density of 10 mA cm−2 at an overpotential of 528 mV with a low Tafel slope of 267 mV dec−1 in 0.25 M acetate buffer. It exhibits a high electrochemically active surface area (0.35 cm2), low charge-transfer resistance, and a turnover frequency of 2.17 s−1 per Cu site at 550 mV overpotential. Additionally, the catalyst shows strong durability, maintaining its activity over 12 h with only a 5.3 % loss in current density, highlighting its robustness for hydrogen production.
尽管付出了巨大的努力，但在开发低成本、高效和耐用的电催化剂方面取得的突破有限。在这种情况下，配位聚合物已经成为有前途的可持续催化剂，为与能源和环境挑战相关的电催化应用提供低过电位和高耐久性。本研究以氟化希夫碱[n， n ' -双（5-氟水杨柳二烯）-丁二胺]（H2L）为配体，通过简单、缓慢的蒸发途径，构建了嵌套的二维(C18H16CuF2N2O2]n （Cu-polymer）聚合物链。通过紫外、红外和单晶x射线衍射（SCXRD）验证了其形成。cu -聚合物在C2/c空间群的单斜体系中结晶，形成由Cu2O2和Cu2N4C8相间的矩形网格层组成的聚合物链。XPS分析表明，Cu中心呈+2氧化态。TGA结果表明，cu -聚合物在~ 317°C下是热稳定的。cu聚合物表现出更好的HER性能，在过电位为528 mV时电流密度为10 mA cm−2，在0.25 M醋酸缓冲液中Tafel斜率为267 mV dec−1。它具有较高的电化学活性表面积（0.35 cm2），低电荷转移电阻，在550 mV过电位下，每Cu位点的周转频率为2.17 s−1。此外，该催化剂表现出很强的耐久性，在12小时内保持活性，电流密度仅损失5.3%，突出了其产氢的稳健性。
{"title":"Imine linked CuII-metallopolymer: A sustainable Electrocatalyst for hydrogen production","authors":"Niteesh Kumar , Avinava Kundu , Sajid Mehmood , Simmi Gautam , Manickam Selvaraj , Arun Karnwal , Kamlesh Satpute , Biswarup Chakraborty , Tanmay Kumar Ghorai","doi":"10.1016/j.inoche.2025.116068","DOIUrl":"10.1016/j.inoche.2025.116068","url":null,"abstract":"<div><div>Despite extensive efforts, only limited breakthroughs have been made in developing low-cost, efficient, and durable electrocatalysts. In this context, coordination polymers have emerged as promising sustainable catalysts, offering low overpotentials and high durability for electrocatalytic applications related to energy and environmental challenges. In this work, a parqueted two-dimensional (2D) polymeric chain, [<strong>C</strong><sub><strong>18</strong></sub><strong>H</strong><sub><strong>16</strong></sub><strong>CuF</strong><sub><strong>2</strong></sub><strong>N</strong><sub><strong>2</strong></sub><strong>O</strong><sub><strong>2</strong></sub>]<sub><strong>n</strong></sub> (Cu-polymer), has been constructed by using fluorinated Schiff base [<em>N,N′</em>-bis (5-fluoro-salicylidene)-butanediamine] (H<sub>2</sub>L) ligand by a facile, simple, slow evaporation route. Its formation is validated by UV, FTIR, and single-crystal X-ray diffraction (SCXRD). Cu-polymer crystallizes in a monoclinic system with the C2/c space group, forming polymeric chains composed of alternating Cu<sub>2</sub>O<sub>2</sub> and Cu<sub>2</sub>N<sub>4</sub>C<sub>8</sub> rectangular grid layers. XPS analyses show that the Cu center is in +2 oxidation state. TGA outcomes indicate that the Cu-polymer is thermally stable up to ∼317 °C. Cu-polymer displays better HER performance, achieving a current density of 10 mA cm<sup>−2</sup> at an overpotential of 528 mV with a low Tafel slope of 267 mV dec<sup>−1</sup> in 0.25 M acetate buffer. It exhibits a high electrochemically active surface area (0.35 cm<sup>2</sup>), low charge-transfer resistance, and a turnover frequency of 2.17 s<sup>−1</sup> per Cu site at 550 mV overpotential. Additionally, the catalyst shows strong durability, maintaining its activity over 12 h with only a 5.3 % loss in current density, highlighting its robustness for hydrogen production.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116068"},"PeriodicalIF":5.4,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145839519","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}
Ultramodern treatments for malignant hepatocellular carcinoma (HCC) in clinics are ineffective and frequently produce impaired adherence from patients. Due to poor therapeutic efficiency and significant systemic side effects, we coupled chemo-photothermal targeted treatment for hepatocellular carcinoma (HCC) within a novel, versatile drug delivery system to overcome these issues. Targeted nanoparticle treatment also improves the efficacy of cancer therapy. Peptides are peculiarly well-suited as targeting moieties, with the powerful avidity. To achieve optimal targeting efficiency, potent peptide exhibit on nanostructures requires ideal development. In spite of its strong affinity for the tumor marker αVβ3 integrin receptor, the cyclo(Arg-Gly-Asp-D-Phe-Lys) (cRGD) peptide has gained widespread use. To achieve targeted chemo-photothermal treatment and near-infrared (NIR)/pH-responsive drug release, we construct a cRGD peptide-conjugated quercetin (QT) drug in the present investigation. This drug can be assembled into molybdenum selenide (MoSe2) coated zinc oxide (MoSe2/ZnO-PEG-QT-cRGD) nanocomposites (NCs). MoSe2/ZnO-PEG-QT-cRGD NCs were synthesized and characterized using UV–Vis, FT-IR, XRD, FE-SEM, and DLS analyses. The nanocomposites exhibited quasi-spherical morphology with an average hydrodynamic diameter of ∼158 nm (PDI 0.22), showed high drug loading efficiency (77 %), and demonstrated pH- and NIR-sensitive QT release, with excellent photothermal conversion capacity. The MoSe2/ZnO-PEG-QT-cRGD NCs that evolved were biocompatible, as shown by the MTT experiment. In vitro and in vivo findings indicated significantly enhanced therapeutic efficacy against Hep3B cells under NIR irradiation compared with non-targeted NCs. Therefore, this investigation may provide an innovative model for cancer detection and therapy, and findings may surely assist in enhancing the quality of life for cancer patients.
临床上对恶性肝细胞癌（HCC）的超现代治疗是无效的，并且经常导致患者的依从性受损。由于治疗效果不佳和显著的全身副作用，我们将化学-光热结合治疗肝细胞癌（HCC），在一个新的，多功能的药物输送系统中克服这些问题。靶向纳米颗粒治疗也提高了癌症治疗的疗效。多肽特别适合作为靶向部分，具有强大的贪婪性。为了达到最佳的靶向效果，强效肽在纳米结构上的展示需要理想的发展。尽管cyclo(arg - gly - asp - d - ph - lys) （cRGD）肽对肿瘤标志物α v - β3整合素受体具有很强的亲和力，但它已被广泛使用。为了实现靶向化学光热治疗和近红外(NIR)/ ph响应药物释放，本研究构建了一种cRGD肽偶联槲皮素（QT）药物。该药物可组装成硒化钼（MoSe2）包覆氧化锌（MoSe2/ZnO-PEG-QT-cRGD）纳米复合材料（NCs）。合成了MoSe2/ZnO-PEG-QT-cRGD NCs，并通过UV-Vis、FT-IR、XRD、FE-SEM和DLS分析对其进行了表征。该纳米复合材料具有准球形形态，平均水动力直径为~ 158 nm (PDI 0.22)，具有较高的载药效率（77%），并具有良好的光热转换能力，对pH和nir敏感的QT释放。MTT实验表明，进化的MoSe2/ZnO-PEG-QT-cRGD nc具有生物相容性。体外和体内实验结果表明，与非靶向NCs相比，NIR辐照对Hep3B细胞的治疗效果显著增强。因此，本研究可能为癌症的检测和治疗提供一种创新模式，研究结果必将有助于提高癌症患者的生活质量。
{"title":"Multifunctional MoSe₂/ZnO-PEG-cRGD nanocomposites for NIR/pH-responsive quercetin delivery in hepatocellular carcinoma treatment","authors":"Pandiyan Sasireka , Karuppaiya Vimala , Annamalai Asaikkutti , Ramasundaram Thangaraj , Soundarapandian Kannan","doi":"10.1016/j.inoche.2025.116087","DOIUrl":"10.1016/j.inoche.2025.116087","url":null,"abstract":"<div><div>Ultramodern treatments for malignant hepatocellular carcinoma (HCC) in clinics are ineffective and frequently produce impaired adherence from patients. Due to poor therapeutic efficiency and significant systemic side effects, we coupled chemo-photothermal targeted treatment for hepatocellular carcinoma (HCC) within a novel, versatile drug delivery system to overcome these issues. Targeted nanoparticle treatment also improves the efficacy of cancer therapy. Peptides are peculiarly well-suited as targeting moieties, with the powerful avidity. To achieve optimal targeting efficiency, potent peptide exhibit on nanostructures requires ideal development. In spite of its strong affinity for the tumor marker αVβ3 integrin receptor, the cyclo(Arg-Gly-Asp-D-Phe-Lys) (cRGD) peptide has gained widespread use. To achieve targeted chemo-photothermal treatment and near-infrared (NIR)/pH-responsive drug release, we construct a cRGD peptide-conjugated quercetin (QT) drug in the present investigation. This drug can be assembled into molybdenum selenide (MoSe<sub>2</sub>) coated zinc oxide (MoSe<sub>2</sub>/ZnO-PEG-QT-cRGD) nanocomposites (NCs). MoSe<sub>2</sub>/ZnO-PEG-QT-cRGD NCs were synthesized and characterized using UV–Vis, FT-IR, XRD, FE-SEM, and DLS analyses. The nanocomposites exhibited quasi-spherical morphology with an average hydrodynamic diameter of ∼158 nm (PDI 0.22), showed high drug loading efficiency (77 %), and demonstrated pH- and NIR-sensitive QT release, with excellent photothermal conversion capacity. The MoSe<sub>2</sub>/ZnO-PEG-QT-cRGD NCs that evolved were biocompatible, as shown by the MTT experiment<em>. In vitro</em> and <em>in vivo</em> findings indicated significantly enhanced therapeutic efficacy against Hep3B cells under NIR irradiation compared with non-targeted NCs. Therefore, this investigation may provide an innovative model for cancer detection and therapy, and findings may surely assist in enhancing the quality of life for cancer patients.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116087"},"PeriodicalIF":5.4,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838789","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 : 2025-12-23DOI: 10.1016/j.inoche.2025.116079
Preetha Rajaraman , Arun Pratheepan Francis , John Bosco Aruljothy , Arunkumar Thirugnanasambandam
Cu-integrated metal-organic framework (MOF-199) has emerged as a significant semiconductor due to its remarkable stability and capacity for visible light absorption. Nevertheless, the catalytic efficiency of pure MOF-199 is significantly impeded by the rapid recombination of photogenerated charge carriers. To address this, the MOF-199 integrated with boron-doped graphene oxide (BGO) was synthesized using the in-situ growth method, resulting in the novel MOF-199/BGO composite for tetracycline (TC) degradation. The integration of MOF-199 and BGO efficiently modulates the band structure of the composite, thereby enhancing the separation of carriers. Additionally, a detailed analysis was conducted to assess the chemical, structural, morphological, and textural properties of the photocatalysts. Investigations on the electronic properties of the heterojunction demonstrated interfacial characteristics conducive to improved charge carrier separation and transport, as well as a potential Z-scheme charge transfer mechanism. The Z-scheme heterojunction concurrently optimizes the charge transfer path, resulting in a substantial improvement in charge carrier separation efficiency and a significant enhancement of the redox capability of the photocatalyst. The MOF-199/BGO heterojunction degraded 93 % of the TC under sunlight in 60 min with a kinetic rate constant of 0.026 min−1, which is ∼1.5 times better than MOF-199 (0.0098 min−1). Liquid chromatography-mass spectrometry (LC-MS) was used to identify degradation intermediates, while electron paramagnetic resonance (EPR) and radical trapping experiments confirmed the involvement of superoxide anions (•O2−) and hydroxyl radicals (•OH). Reusability studies demonstrated remarkable stability, with the composite maintaining nearly 85 % efficiency across five consecutive cycles, highlighting its prospects for practical applications in wastewater treatment.
{"title":"Construction of MOF-199/BGO heterostructure with Z-scheme charge transfer for sunlight-driven photocatalytic degradation of tetracycline","authors":"Preetha Rajaraman , Arun Pratheepan Francis , John Bosco Aruljothy , Arunkumar Thirugnanasambandam","doi":"10.1016/j.inoche.2025.116079","DOIUrl":"10.1016/j.inoche.2025.116079","url":null,"abstract":"<div><div>Cu-integrated metal-organic framework (MOF-199) has emerged as a significant semiconductor due to its remarkable stability and capacity for visible light absorption. Nevertheless, the catalytic efficiency of pure MOF-199 is significantly impeded by the rapid recombination of photogenerated charge carriers. To address this, the MOF-199 integrated with boron-doped graphene oxide (BGO) was synthesized using the in-situ growth method, resulting in the novel MOF-199/BGO composite for tetracycline (TC) degradation. The integration of MOF-199 and BGO efficiently modulates the band structure of the composite, thereby enhancing the separation of carriers. Additionally, a detailed analysis was conducted to assess the chemical, structural, morphological, and textural properties of the photocatalysts. Investigations on the electronic properties of the heterojunction demonstrated interfacial characteristics conducive to improved charge carrier separation and transport, as well as a potential <em>Z</em>-scheme charge transfer mechanism. The Z-scheme heterojunction concurrently optimizes the charge transfer path, resulting in a substantial improvement in charge carrier separation efficiency and a significant enhancement of the redox capability of the photocatalyst. The MOF-199/BGO heterojunction degraded 93 % of the TC under sunlight in 60 min with a kinetic rate constant of 0.026 min<sup>−1</sup>, which is ∼1.5 times better than MOF-199 (0.0098 min<sup>−1</sup>). Liquid chromatography-mass spectrometry (LC-MS) was used to identify degradation intermediates, while electron paramagnetic resonance (EPR) and radical trapping experiments confirmed the involvement of superoxide anions (<sup>•</sup>O<sub>2</sub><sup>−</sup>) and hydroxyl radicals (<sup>•</sup>OH). Reusability studies demonstrated remarkable stability, with the composite maintaining nearly 85 % efficiency across five consecutive cycles, highlighting its prospects for practical applications in wastewater treatment.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116079"},"PeriodicalIF":5.4,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838790","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}
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