In the present investigations, we critically examine the response of thickness variation of the photoactive layer on I-V characteristics of the final optimized Er-doped BiFeO3 (Er-BF) designed devices (Er: 0 %, 4 %, 8 %, and 12 %). The recombination rate, energy band diagrams obtained at a final simulated thickness of the absorber and at the back contact metal work function were investigated for the purpose of barrier formation analysis. To establish the presence of deep defects in the perovskite based heterostructure devices, the measurements of respective designed devices related to capacitance–voltage (C-V), Mott-Schottky (MS) (1/C2-V), and conductance-voltage (G-V) characteristics were thoroughly performed and examined. The change in capacitance (or dielectric constant) induced thermally in the respective designed devices was investigated with the temperature-dependent capacitance-frequency (C-f) characteristics performed under the illumination and dark conditions, respectively. Further, the voltage dependent Nyquist plots were studied. Overall, this work provides critical insights into the impedance response of doped BiFeO3 absorber-based designed perovskite solar cells (PSCs) with cell structure FTO/ZnO/Er-BF/Spiro-OMeTAD/Au. It further facilitates the understanding of various complex electrical processes taking place at the different interfaces during the device operations which are significant for the better optimization and play crucial role in enhancing the overall photovoltaic performance of PSCs.
{"title":"Investigations on interfacial complex dynamic processes of Er-BiFeO3 based perovskite solar cell heterostructures","authors":"Manish Kumar , Manish Kumar , Dharm Veer Singh , Subhash Sharma , D.K. Dwivedi , Avneesh Anshul , M. Khalid Hossain , Sandeep Kumar Pundir","doi":"10.1016/j.inoche.2024.113587","DOIUrl":"10.1016/j.inoche.2024.113587","url":null,"abstract":"<div><div>In the present investigations, we critically examine the response of thickness variation of the photoactive layer on I-V characteristics of the final optimized Er-doped BiFeO<sub>3</sub> (Er-BF) designed devices (Er: 0 %, 4 %, 8 %, and 12 %). The recombination rate, energy band diagrams obtained at a final simulated thickness of the absorber and at the back contact metal work function were investigated for the purpose of barrier formation analysis. To establish the presence of deep defects in the perovskite based heterostructure devices, the measurements of respective designed devices related to capacitance–voltage (C-V), Mott-Schottky (MS) (1/C<sup>2</sup>-V), and conductance-voltage (G-V) characteristics were thoroughly performed and examined. The change in capacitance (or dielectric constant) induced thermally in the respective designed devices was investigated with the temperature-dependent capacitance-frequency (C-f) characteristics performed under the illumination and dark conditions, respectively. Further, the voltage dependent Nyquist plots were studied. Overall, this work provides critical insights into the impedance response of doped BiFeO<sub>3</sub> absorber-based designed perovskite solar cells (PSCs) with cell structure FTO/ZnO/Er-BF/Spiro-OMeTAD/Au. It further facilitates the understanding of various complex electrical processes taking place at the different interfaces during the device operations which are significant for the better optimization and play crucial role in enhancing the overall photovoltaic performance of PSCs.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"171 ","pages":"Article 113587"},"PeriodicalIF":4.4,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142722759","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}
This work focusses on the development and characterization of efficient CuI/MnO2 nano catalyst, characterized using XPS, XRD, EDAX, FTIR, FESEM, BET (surface area: 8.01 m2/g, a pore radius: 17.052 Å and a pore volume: 0.011 cm3/g) and TEM techniques. The reactivity of this catalyst was evaluated for the synthesis of biologically active 2-substituted benzimidazoles through condensation of o-phenylenediamine with benzaldehydes. The process features short reaction time, high TON (997.35), green conditions, high yield, easy work-up, good green metrices values such as low E-factor (0.17) and Process mass efficiency (PMI) (1.16) high Reaction mass efficiency (RME) value (91.2 %) and carbon efficiency (CE) (94 %) are good characteristics of the synthesized catalyst.
这项工作的重点是开发和表征高效的 CuI/MnO2 纳米催化剂，并使用 XPS、XRD、EDAX、傅立叶变换红外光谱、FESEM、BET（表面积：8 01 m2/g，孔径：17 052 Å，孔体积：0 011 cm3/g）和 TEM 技术对其进行表征：8.01 m2/g，孔半径：17.052 Å，孔体积：0.011 cm3/g）和 TEM 技术进行表征。在通过邻苯二胺与苯甲醛缩合合成具有生物活性的 2-取代苯并咪唑时，对该催化剂的反应活性进行了评估。该工艺具有反应时间短、吨重高（997.35）、绿色条件、产率高、易于操作、绿色指标值好等特点，如低 E 系数（0.17）和过程质量效率（PMI）（1.16）、高反应质量效率（RME）值（91.2 %）和碳效率（CE）（94 %），这些都是合成催化剂的良好特性。
{"title":"CuI/MnO2 nanocatalysed synthesis of bioactive 2-substituted benzimidazoles","authors":"Nisha , Sahil Kohli , Khushboo Aggarwal , Snigdha Singh , Neera Sharma , Ramesh Chandra","doi":"10.1016/j.inoche.2024.113556","DOIUrl":"10.1016/j.inoche.2024.113556","url":null,"abstract":"<div><div>This work focusses on the development and characterization of efficient CuI/MnO<sub>2</sub> nano catalyst, characterized using XPS, XRD, EDAX, FTIR, FESEM, BET (surface area: 8.01 m<sup>2</sup>/g, a pore radius: 17.052 Å and a pore volume: 0.011 cm<sup>3</sup>/g) and TEM techniques. The reactivity of this catalyst was evaluated for the synthesis of biologically active 2-substituted benzimidazoles through condensation of <em>o</em>-phenylenediamine with benzaldehydes. The process features short reaction time, high TON (997.35), green conditions, high yield, easy work-up, good green metrices values such as low E-factor (0.17) and Process mass efficiency (PMI) (1.16) high Reaction mass efficiency (RME) value (91.2 %) and carbon efficiency (CE) (94 %) are good characteristics of the synthesized catalyst.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"171 ","pages":"Article 113556"},"PeriodicalIF":4.4,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142706289","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 : 2024-11-16DOI: 10.1016/j.inoche.2024.113547
Simone Stampatori , Iogann Tolbatov , Stefano Zacchini , Guido Pampaloni , Fabio Marchetti , Nazzareno Re , Lorenzo Biancalana
Metal vinylidenes are key intermediates in the activation of terminal alkynes. Previous studies concerning ruthenium η6-arene complexes showed how the elusive vinylidenes are often transformed into more stable alkoxy(alkyl)carbene complexes upon reaction with alcohols, highlighting their electrophilicity. We reinvestigated the reactivity of terminal alkynes and alcohols with ruthenium(II) η6-arene precursors and we found out new aspects of the formation and the reactivity of the alkoxy(carbene)complexes. First, the reactivity of ruthenium complexes bearing different η6-arene, phosphane, halide co-ligands on the activation process of a series of arylalkynes have been examined. Under optimized conditions, a series of alkoxy(benzyl)carbene complexes of general formula [RuCl{C(OR’)CH2(4-C5H4R)}(PR’’3)(η6-arene)]+ were obtained. Five compounds were isolated in 82–96 % yield and they were characterized by spectroscopic techniques and X-ray diffraction in three cases. Notably, these carbene complexes are the predominant reaction products even in presence of a large molar excess of water in the mixture for short reaction times.
In fact, DFT calculations on a model system showed that the vinylidene intermediate, resulting from the Ru/alkyne interaction, is preferentially attacked by MeOH instead of water. The subsequent formation of carbonyl complexes was assessed in various conditions by IR and NMR and four unprecedented and comparatively rare benzyl carbonyl complexes of general formula [Ru{CH2(4-C6H4R)}(CO)(PPh3)(η6-arene)]+ are reported, including the crystal structure of one example. Next, an unprecedented reactivity study on selected alkoxy(benzyl)carbene complexes was carried out. Joint experimental and computational results indicate that these benzyl carbonyl complexes may actually arise from the reaction of the carbene complexes with water, a reactivity pathway that has never been considered in previous studies on the Ru-mediated hydrolytic cleavage of alkynes.
金属亚乙烯基是活化末端炔烃的关键中间体。以前有关钌 η6-炔络合物的研究表明，难以捉摸的亚乙烯基与醇反应后往往会转化为更稳定的烷氧基（烷基）碳烯络合物，这突出了它们的亲电性。我们重新研究了末端炔烃和醇与钌（II）η6-烯前体的反应性，发现了烷氧基（烷基）碳烯配合物形成和反应性的新方面。首先，我们研究了含有不同η6-烯、膦和卤化物共配体的钌络合物对一系列芳基炔的活化过程的反应性。在优化条件下，得到了一系列通式为[RuCl{C(OR')CH2(4-C5H4R)}(PR''3)(η6-烯)]+的烷氧基（苄基）碳烯配合物。通过光谱技术和 X 射线衍射技术对其中三种化合物进行了表征。值得注意的是，即使在混合物中存在大量摩尔过量的水且反应时间较短的情况下，这些碳烯配合物仍是最主要的反应产物。事实上，对模型体系进行的 DFT 计算表明，Ru/炔相互作用产生的亚乙烯基中间体优先受到 MeOH 而不是水的侵蚀。报告还介绍了四种前所未有且比较罕见的通式为[Ru{CH2(4-C6H4R)}(CO)(PPh3)(η6-arene)]+的苄基羰基复合物，包括其中一个实例的晶体结构。接着，对选定的烷氧基（苄基）碳烯配合物进行了前所未有的反应性研究。实验和计算的联合结果表明，这些苄基羰基络合物实际上可能来自于碳烯络合物与水的反应，而这是以往关于 Ru 介导的炔烃水解裂解的研究中从未考虑过的反应途径。
{"title":"Elucidating the ruthenium-mediated conversion of aryl alkynes to alkoxy(benzyl)carbene and benzyl carbonyl complexes","authors":"Simone Stampatori , Iogann Tolbatov , Stefano Zacchini , Guido Pampaloni , Fabio Marchetti , Nazzareno Re , Lorenzo Biancalana","doi":"10.1016/j.inoche.2024.113547","DOIUrl":"10.1016/j.inoche.2024.113547","url":null,"abstract":"<div><div>Metal vinylidenes are key intermediates in the activation of terminal alkynes. Previous studies concerning ruthenium η<sup>6</sup>-arene complexes showed how the elusive vinylidenes are often transformed into more stable alkoxy(alkyl)carbene complexes upon reaction with alcohols, highlighting their electrophilicity. We reinvestigated the reactivity of terminal alkynes and alcohols with ruthenium(II) η<sup>6</sup>-arene precursors and we found out new aspects of the formation and the reactivity of the alkoxy(carbene)complexes. First, the reactivity of ruthenium complexes bearing different η<sup>6</sup>-arene, phosphane, halide co-ligands on the activation process of a series of arylalkynes have been examined. Under optimized conditions, a series of alkoxy(benzyl)carbene complexes of general formula [RuCl{C(OR’)CH<sub>2</sub>(4-C<sub>5</sub>H<sub>4</sub>R)}(PR’’<sub>3</sub>)(η<sup>6</sup>-arene)]<sup>+</sup> were obtained. Five compounds were isolated in 82–96 % yield and they were characterized by spectroscopic techniques and X-ray diffraction in three cases. Notably, these carbene complexes are the predominant reaction products even in presence of a large molar excess of <em>water</em> in the mixture for short reaction times<em>.</em></div><div>In fact, DFT calculations on a model system showed that the vinylidene intermediate, resulting from the Ru/alkyne interaction, is preferentially attacked by MeOH instead of water. The subsequent formation of carbonyl complexes was assessed in various conditions by IR and NMR and four unprecedented and comparatively rare benzyl carbonyl complexes of general formula [Ru{CH<sub>2</sub>(4-C<sub>6</sub>H<sub>4</sub>R)}(CO)(PPh<sub>3</sub>)(η<sup>6</sup>-arene)]<sup>+</sup> are reported, including the crystal structure of one example. Next, an unprecedented reactivity study on selected alkoxy(benzyl)carbene complexes was carried out. Joint experimental and computational results indicate that these benzyl carbonyl complexes may actually arise from the reaction of the carbene complexes with water, a reactivity pathway that has never been considered in previous studies on the Ru-mediated hydrolytic cleavage of alkynes.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"171 ","pages":"Article 113547"},"PeriodicalIF":4.4,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142706343","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 : 2024-11-16DOI: 10.1016/j.inoche.2024.113585
D. Pourkodee , D. Renuka Devee , E. Sailatha
The use of diclofenac sodium, a small molecular drug, is essential for treating inflammation in pharmacology. However, its extensive use can lead to environmental and water pollution. To address this issue, a new area of research involving nanomaterials and polymer-metal complexes for photo-degradation processes has emerged. As part of this research, we have developed nano-composites consisting of a biodegradable polymeric metal complex – a chitosan nickel metal complex coupled with a ZnO nanoparticle to eliminate the harmful effects of pharmaceutical residues in the environment is vital for achieving long-term sustainability and protecting natural resources. These nanocomposites have been successfully synthesized and analysed for their structure and optical properties using XRD, FT-IR, SEM, UV–visible, and band gap analysis techniques. The band gap value of the nano-composite falls within the semiconductor range. These synthesized nano-composites have been tested for the photo-degradation of diclofenac sodium in three different sources at various pH levels. The catalyst exhibited better activity in sunlight at acidic pH. We also explored the possible mechanism of photo-activity with the catalyst by combining the results of photo-degradation and the optical characterization of the nano-composite.
{"title":"Synthesis and photocatalytic efficiency of novel ZnO-CBS-Ni complex for diclofenac sodium under irradiation of light","authors":"D. Pourkodee , D. Renuka Devee , E. Sailatha","doi":"10.1016/j.inoche.2024.113585","DOIUrl":"10.1016/j.inoche.2024.113585","url":null,"abstract":"<div><div>The use of diclofenac sodium, a small molecular drug, is essential for treating inflammation in pharmacology. However, its extensive use can lead to environmental and water pollution. To address this issue, a new area of research involving nanomaterials and polymer-metal complexes for photo-degradation processes has emerged. As part of this research, we have developed nano-composites consisting of a biodegradable polymeric metal complex – a chitosan nickel metal complex coupled with a ZnO nanoparticle to eliminate the harmful effects of pharmaceutical residues in the environment is vital for achieving long-term sustainability and protecting natural resources. These nanocomposites have been successfully synthesized and analysed for their structure and optical properties using XRD, FT-IR, SEM, UV–visible, and band gap analysis techniques. The band gap value of the nano-composite falls within the semiconductor range. These synthesized nano-composites have been tested for the photo-degradation of diclofenac sodium in three different sources at various pH levels. The catalyst exhibited better activity in sunlight at acidic pH. We also explored the possible mechanism of photo-activity with the catalyst by combining the results of photo-degradation and the optical characterization of the nano-composite.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"171 ","pages":"Article 113585"},"PeriodicalIF":4.4,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142706680","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 : 2024-11-16DOI: 10.1016/j.inoche.2024.113564
Ling-Ling He , Nan Wang , Shuang Qi , Mei-Ting Sun , Xi-Wen Kou , Ce Su , Xin Wang
In this paper, a novel CuWO4/CaWO4n–n heterojunction was prepared by a hydrothermal method and characterized. Using acid orange 7 (AO7) as simulated dye wastewater, the sonocatalytic performance of CuWO4/CaWO4 composite was investigated. The results suggested that 15 %CuWO4/CaWO4 had the optimum sonocatalytic performance for the removal of AO7. The optimal reaction conditions were as follows: the addition amount of sonocatalyst was 1.0 g/L, the pH value of AO7 was 5, the initial concentration of dye was 5 mg/L, the ultrasonic power was 200 W, the molar ratios of K2S2O8 to AO7 was 70, and the time of ultrasonic irradiation was 120 min, the removal rate of AO7 could reach 93.37 ± 0.76(%). The results showed that the construction of CuWO4/CaWO4 heterojunction could significantly improve the production of active components in the sonocatalytic system, which played an important role in the sonocatalytic removal process of AO7. In addition, the CuWO4/CaWO4 composite catalyst showed good stability. Moreover, the results of AO7 degradation products and their environmental toxicity evaluation showed that the combined use of sonocatalysis and S-AOPs could achieve effective degradation of AO7 and significantly reduced the environmental toxicity of organic pollutants. These results revealed that the CuWO4/CaWO4 composite had potential value in the field of sonocatalysis and provided valuable information for the development of hybrid processes based on sonocatalysis coupled with S-AOPs to remove organic pollutants from wastewater.
{"title":"Preparation of CuWO4/CaWO4 n–n heterojunction with enhanced sonocatalytic performance: Characterization, sonocatalytic mechanism and degradation pathways of organic pollutant","authors":"Ling-Ling He , Nan Wang , Shuang Qi , Mei-Ting Sun , Xi-Wen Kou , Ce Su , Xin Wang","doi":"10.1016/j.inoche.2024.113564","DOIUrl":"10.1016/j.inoche.2024.113564","url":null,"abstract":"<div><div>In this paper, a novel CuWO<sub>4</sub>/CaWO<sub>4</sub> <em>n</em>–<em>n</em> heterojunction was prepared by a hydrothermal method and characterized. Using acid orange 7 (AO7) as simulated dye wastewater, the sonocatalytic performance of CuWO<sub>4</sub>/CaWO<sub>4</sub> composite was investigated. The results suggested that 15 %CuWO<sub>4</sub>/CaWO<sub>4</sub> had the optimum sonocatalytic performance for the removal of AO7. The optimal reaction conditions were as follows: the addition amount of sonocatalyst was 1.0 g/L, the pH value of AO7 was 5, the initial concentration of dye was 5 mg/L, the ultrasonic power was 200 W, the molar ratios of K<sub>2</sub>S<sub>2</sub>O<sub>8</sub> to AO7 was 70, and the time of ultrasonic irradiation was 120 min, the removal rate of AO7 could reach 93.37 ± 0.76(%). The results showed that the construction of CuWO<sub>4</sub>/CaWO<sub>4</sub> heterojunction could significantly improve the production of active components in the sonocatalytic system, which played an important role in the sonocatalytic removal process of AO7. In addition, the CuWO<sub>4</sub>/CaWO<sub>4</sub> composite catalyst showed good stability. Moreover, the results of AO7 degradation products and their environmental toxicity evaluation showed that the combined use of sonocatalysis and S-AOPs could achieve effective degradation of AO7 and significantly reduced the environmental toxicity of organic pollutants. These results revealed that the CuWO<sub>4</sub>/CaWO<sub>4</sub> composite had potential value in the field of sonocatalysis and provided valuable information for the development of hybrid processes based on sonocatalysis coupled with S-AOPs to remove organic pollutants from wastewater.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"171 ","pages":"Article 113564"},"PeriodicalIF":4.4,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142707168","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 : 2024-11-16DOI: 10.1016/j.inoche.2024.113563
Komal Gupta, Kirti Saini, Kundan Singh Shekhawat, Jaya Mathur
With rising environmental awareness, there is an increasing demand for sustainable practices, leading to the growing popularity of green synthetic methodologies that focus on simplicity and non-toxicity. The study presents an efficient eco-friendly route for synthesizing nickel oxide nanoparticles using the Punica granatum L. fruit juice extract. The synthesized nanoparticles were characterized by Ultraviolet–visible Diffuse Reflectance Spectroscopy (UV–Vis DRS), Fourier Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscopy (SEM), Energy Dispersive X-ray (EDX), Transmission Electron Microscopy (TEM), X-ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), Dynamic Light Scattering (DLS), Zeta potential and Brunauer-Emmett-Teller (BET) analyses. The nanoparticles exhibited a face-centered cubic phase, with an average crystallite size of 10 nm and a nearly spherical shape. The specific surface area of the nanoparticles was found to be 113.73 m2/g. The nanoparticles served as highly effective, heterogeneous, and sustainable catalysts for the Knoevenagel condensation reactions involving various substituted aromatic aldehydes and active methylene compounds under non-toxic and moderate conditions. The reactions proceeded smoothly with excellent product yields in short time frames with convenient work-up procedures, and easy catalyst recovery, exhibiting high Turnover Number (TON) and Turnover Frequency (TOF). The catalytic performance of the nanoparticles remained consistent over five reaction cycles. The nanoparticles showcased significant cytotoxicity against the human liver cancer cell line (HepG2), achieving a 70.28 % inhibition at a concentration of 112.5 μg/mL. Moreover, the nanoparticles exhibited notable anti-diabetic properties by inhibiting the action of alpha-amylase enzyme. An enzyme inhibition of 52.04 % was attained at a nanoparticle concentration of 500 µg/mL, thereby promoting the hypoglycemic effect. Overall, this study showcases innovative applications of NiO nanoparticles synthesized from Punica granatum L. fruit juice extract, including their use as catalysts for the Knoevenagel condensation reactions, as anti-cancer agents against HepG2 cells, and as anti-diabetic agents through alpha-amylase inhibition.
{"title":"Environmentally benign synthesis of NiO nanoparticles: Potential catalysts for Knoevenagel condensation with promising anti-cancer and anti-diabetic activities","authors":"Komal Gupta, Kirti Saini, Kundan Singh Shekhawat, Jaya Mathur","doi":"10.1016/j.inoche.2024.113563","DOIUrl":"10.1016/j.inoche.2024.113563","url":null,"abstract":"<div><div>With rising environmental awareness, there is an increasing demand for sustainable practices, leading to the growing popularity of green synthetic methodologies that focus on simplicity and non-toxicity. The study presents an efficient eco-friendly route for synthesizing nickel oxide nanoparticles using the <em>Punica granatum</em> L. fruit juice extract. The synthesized nanoparticles were characterized by Ultraviolet–visible Diffuse Reflectance Spectroscopy (UV–Vis DRS), Fourier Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscopy (SEM), Energy Dispersive X-ray (EDX), Transmission Electron Microscopy (TEM), X-ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), Dynamic Light Scattering (DLS), Zeta potential and Brunauer-Emmett-Teller (BET) analyses. The nanoparticles exhibited a face-centered cubic phase, with an average crystallite size of 10 nm and a nearly spherical shape. The specific surface area of the nanoparticles was found to be 113.73 m<sup>2</sup>/g. The nanoparticles served as highly effective, heterogeneous, and sustainable catalysts for the Knoevenagel condensation reactions involving various substituted aromatic aldehydes and active methylene compounds under non-toxic and moderate conditions. The reactions proceeded smoothly with excellent product yields in short time frames with convenient work-up procedures, and easy catalyst recovery, exhibiting high Turnover Number (TON) and Turnover Frequency (TOF). The catalytic performance of the nanoparticles remained consistent over five reaction cycles. The nanoparticles showcased significant cytotoxicity against the human liver cancer cell line (HepG2), achieving a 70.28 % inhibition at a concentration of 112.5 μg/mL. Moreover, the nanoparticles exhibited notable anti-diabetic properties by inhibiting the action of alpha-amylase enzyme. An enzyme inhibition of 52.04 % was attained at a nanoparticle concentration of 500 µg/mL, thereby promoting the hypoglycemic effect. Overall, this study showcases innovative applications of NiO nanoparticles synthesized from <em>Punica granatum</em> L. fruit juice extract, including their use as catalysts for the Knoevenagel condensation reactions, as anti-cancer agents against HepG2 cells, and as anti-diabetic agents through alpha-amylase inhibition.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"171 ","pages":"Article 113563"},"PeriodicalIF":4.4,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142706344","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 : 2024-11-16DOI: 10.1016/j.inoche.2024.113576
Fatma A. Ibrahim , Ishfaq Ahmad , Mohamed S. Hamdy , Gideon F.B. Solre , Sana Ullah Asif
This work demonstrates a systematic attempt to explore the structure and magnetic properties of Ho3+ substituted Ca-Cu hexaferrite nanocrystals. Ca0.5Cu0.5Fe12-xHoxO19 (x = 0.00, 0.05, 0.10, 0.15, 0.20) M−type hexaferrites are synthesized via sol–gel auto combustion technique. XRD spectra is used to evaluate the phase, and substituent-induced modifications of crystallites. The lattice parameters ‘a’ and ‘c’ lies in the range (5.887–5.898) Å and (23.184–23.195) Å. The size of crystallites ranges from 55.73 to 59.41 nm. The specimen’s morphology indicates the consistent distribution of grains with Ho substitution. The coercivity of samples increased slightly from 2.85 to 3.15 kOe, as determined by vibrating sample magnetometer (VSM) loops, whereas saturation magnetization increased from 26.41 to 30.13 emu/g. The discussion also encompasses variations in anisotropy field (Ha), anisotropy parameter (B), magneto-crystalline anisotropic constant (K), and magnetic moment per formula unit mB(µB) and their effect on main magnetic parameters.
这项工作展示了对取代了 Ho3+ 的 Ca-Cu 六铁氧体纳米晶体的结构和磁性能进行探索的系统性尝试。通过溶胶-凝胶自燃技术合成了 Ca0.5Cu0.5Fe12-xHoxO19 (x = 0.00, 0.05, 0.10, 0.15, 0.20) M 型六价铁氧体。XRD 光谱用于评估晶相和取代基引起的晶粒变化。晶格参数 "a "和 "c "的范围分别为 (5.887-5.898) Å 和 (23.184-23.195) Å。试样的形态表明，晶粒的分布与 Ho 取代物一致。根据振动样品磁力计（VSM）回路的测定，样品的矫顽力从 2.85 kOe 微增至 3.15 kOe，而饱和磁化率则从 26.41 emu/g 增至 30.13 emu/g。讨论还包括各向异性场 (Ha)、各向异性参数 (B)、磁晶各向异性常数 (K) 和单位公式磁矩 mB(µB) 的变化及其对主要磁性参数的影响。
{"title":"Insights into the structure and magnetic characteristics of Ho substituted Ca-Cu based Ca0.5Cu0.5Fe12-xHoxO19 hexaferrites nanoparticles","authors":"Fatma A. Ibrahim , Ishfaq Ahmad , Mohamed S. Hamdy , Gideon F.B. Solre , Sana Ullah Asif","doi":"10.1016/j.inoche.2024.113576","DOIUrl":"10.1016/j.inoche.2024.113576","url":null,"abstract":"<div><div>This work demonstrates a systematic attempt to explore the structure and magnetic properties of Ho<sup>3+</sup> substituted Ca-Cu hexaferrite nanocrystals. Ca<sub>0.5</sub>Cu<sub>0.5</sub>Fe<sub>12-x</sub>Ho<sub>x</sub>O<sub>19</sub> (x = 0.00, 0.05, 0.10, 0.15, 0.20) M−type hexaferrites are synthesized via sol–gel auto combustion technique. XRD spectra is used to evaluate the phase, and substituent-induced modifications of crystallites. The lattice parameters ‘a’ and ‘c’ lies in the range (5.887–5.898) Å and (23.184–23.195) Å. The size of crystallites ranges from 55.73 to 59.41 nm. The specimen’s morphology indicates the consistent distribution of grains with Ho substitution. The coercivity of samples increased slightly from 2.85 to 3.15 kOe, as determined by vibrating sample magnetometer (VSM) loops, whereas saturation magnetization increased from 26.41 to 30.13 emu/g. The discussion also encompasses variations in anisotropy field (Ha), anisotropy parameter (B), magneto-crystalline anisotropic constant (K), and magnetic moment per formula unit m<sub>B</sub>(µ<sub>B</sub>) and their effect on main magnetic parameters.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"171 ","pages":"Article 113576"},"PeriodicalIF":4.4,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142706237","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 : 2024-11-16DOI: 10.1016/j.inoche.2024.113558
W.S. Abo El Yazeed , B.N.H. Mansour , Amr Awad Ibrahim , Awad I. Ahmed , R.S. Salama , Hany El-Shinawi
The adsorption of heavy metals and dyes has become a significant area of research due to their detrimental effects on human health and the environment. Activated carbon (AC) is widely recognized for its excellent adsorption properties, while metal–organic frameworks (MOFs) are gaining attention for their high surface area and tunable characteristics. In this study, we investigate the adsorption of lead ions on AC supported by MIL-101(Al) with varying compositions synthesized through solvothermal techniques. Characterization techniques such as SEM, TEM, XRD, and FTIR were employed to examine the morphology, crystalline structure, and functional groups of the synthesized materials. The adsorption efficiency of AC/MIL-101(Al) composites for removing brilliant green (BG), congo red (CR), and lead ions from aqueous solutions was evaluated, focusing on factors like pH, adsorbent dosage, dye concentration, and adsorption time. The results indicated that AC/MIL-101(Al) composites exhibited faster adsorption kinetics than pure MIL-101(Al) and pure AC under optimal conditions. The composite demonstrated exceptional performance, with maximum adsorption capacities of 306 mg/g for BG, 585 mg/g for CR, and 241 mg/g for lead ions. This study introduces a novel approach for creating a highly effective nano-porous adsorbent using MOFs, aimed at effectively removing organic dyes and heavy metals from water.
{"title":"Activated carbon encapsulated Aluminum metal–organic frameworks as an active and recyclable adsorbent for removal of different dyes and lead from aqueous solution","authors":"W.S. Abo El Yazeed , B.N.H. Mansour , Amr Awad Ibrahim , Awad I. Ahmed , R.S. Salama , Hany El-Shinawi","doi":"10.1016/j.inoche.2024.113558","DOIUrl":"10.1016/j.inoche.2024.113558","url":null,"abstract":"<div><div>The adsorption of heavy metals and dyes has become a significant area of research due to their detrimental effects on human health and the environment. Activated carbon (AC) is widely recognized for its excellent adsorption properties, while metal–organic frameworks (MOFs) are gaining attention for their high surface area and tunable characteristics. In this study, we investigate the adsorption of lead ions on AC supported by MIL-101(Al) with varying compositions synthesized through solvothermal techniques. Characterization techniques such as SEM, TEM, XRD, and FTIR were employed to examine the morphology, crystalline structure, and functional groups of the synthesized materials. The adsorption efficiency of AC/MIL-101(Al) composites for removing brilliant green (BG), congo red (CR), and lead ions from aqueous solutions was evaluated, focusing on factors like pH, adsorbent dosage, dye concentration, and adsorption time. The results indicated that AC/MIL-101(Al) composites exhibited faster adsorption kinetics than pure MIL-101(Al) and pure AC under optimal conditions. The composite demonstrated exceptional performance, with maximum adsorption capacities of 306 mg/g for BG, 585 mg/g for CR, and 241 mg/g for lead ions. This study introduces a novel approach for creating a highly effective nano-porous adsorbent using MOFs, aimed at effectively removing organic dyes and heavy metals from water.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"171 ","pages":"Article 113558"},"PeriodicalIF":4.4,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142707357","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}
This research investigates the fabrication and electrochemical characterization of a modified graphene paste electrode (MCPE) incorporating CuCo2O4 bimetallic oxide and its composite with graphene quantum dots (GQDs) for dopamine detection. The CuCo2O4 was synthesized via a hydrothermal method. The oxidation–reduction behavior of dopamine on the GQD/CuCo2O4/CPE indicates a quasi-reversible electrochemical reaction with an absorption-controlled electron transfer process and the kinetics of the catalytic reaction followed pseudo first-order. The average value of the electron transfer rate constant for GQD/CuCo2O4 was observed to be 0.047 s−1. Characterization of the obtained materials was performed using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), and energy-dispersive X-ray spectroscopy (EDS). Subsequently, under optimized conditions, cyclic voltammetry (CV), differential pulse voltammetry (DPV), and electrochemical impedance spectroscopy (EIS) were employed to evaluate the dopamine sensing performance of the MCPEs. The GQD/CuCo2O4 composite electrode exhibited a lower detection limit (0.004 μM) and quantification limit (0.013 μM) for DA compared to the CuCo2O4 electrode (0.0088 μM and 0.030 μM, respectively). The GQD/CuCo2O4 nanocomposite showed better sensitivity (33.0 mA/mM) than CuCo2O4 (17.9 mA/mM) due to the superior conducting nature of GQD. Finally, the applicability of the GQD/CuCo2O4-based MCPE was demonstrated by measuring DA in real samples.
{"title":"Sensitive electrochemical detection of dopamine using CuCo2O4/graphene quantum dots-modified carbon paste electrode","authors":"Masoumeh Madadi , Masoud Rohani Moghadam , Parisa Salarizadeh , Alireza Bazmandegan-Shamili , Mehdi Shahbakhsh","doi":"10.1016/j.inoche.2024.113566","DOIUrl":"10.1016/j.inoche.2024.113566","url":null,"abstract":"<div><div>This research investigates the fabrication and electrochemical characterization of a modified graphene paste electrode (MCPE) incorporating CuCo<sub>2</sub>O<sub>4</sub> bimetallic oxide and its composite with graphene quantum dots (GQDs) for dopamine detection. The CuCo<sub>2</sub>O<sub>4</sub> was synthesized via a hydrothermal method. The oxidation–reduction behavior of dopamine on the GQD/CuCo<sub>2</sub>O<sub>4</sub>/CPE indicates a quasi-reversible electrochemical reaction with an absorption-controlled electron transfer process and the kinetics of the catalytic reaction followed pseudo first-order. The average value of the electron transfer rate constant for GQD/CuCo<sub>2</sub>O<sub>4</sub> was observed to be 0.047 s<sup>−1</sup>. Characterization of the obtained materials was performed using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), and energy-dispersive X-ray spectroscopy (EDS). Subsequently, under optimized conditions, cyclic voltammetry (CV), differential pulse voltammetry (DPV), and electrochemical impedance spectroscopy (EIS) were employed to evaluate the dopamine sensing performance of the MCPEs. The GQD/CuCo<sub>2</sub>O<sub>4</sub> composite electrode exhibited a lower detection limit (0.004 μM) and quantification limit (0.013 μM) for DA compared to the CuCo<sub>2</sub>O<sub>4</sub> electrode (0.0088 μM and 0.030 μM, respectively). The GQD/CuCo<sub>2</sub>O<sub>4</sub> nanocomposite showed better sensitivity (33.0 mA/mM) than CuCo<sub>2</sub>O<sub>4</sub> (17.9 mA/mM) due to the superior conducting nature of GQD. Finally, the applicability of the GQD/CuCo<sub>2</sub>O<sub>4</sub>-based MCPE was demonstrated by measuring DA in real samples.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"171 ","pages":"Article 113566"},"PeriodicalIF":4.4,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743011","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 : 2024-11-16DOI: 10.1016/j.inoche.2024.113588
Asmaa F. Kassem , Najam Ul Hassan , Ebraheem Abdu Musad Saleh , Rabbia Hasan , M.M. Moharam , Raed H. Althomali , Sana Ullah Asif , Kakul Husain , Gehan A. Hammouda
Selection of electrode material and operating potential window are important factor affecting the specific capacitance, energy density and stability of energy storage devices. Pristine ZnS has attracted the researchers to be focused for electrochemical performance due to its high theoretical capacitance, easy fabrication, low cost and environmental friendliness. Herein, we report successful fabrication of Al intercalated ZnS (Al1.6Zn80.9S17.5) nanosheets to optimize the structure, morphology and electrochemical performance as anode material for supercapattery application. Al-ZnS (Al1.6Zn80.9S17.5) is operated at wider potential window −0.3 to 0.8 to achieve an excellent specific capacitance of 1414 Fg−1 along with high energy density of about 90 Whkg−1 at 6540 WKg−1 power density, much higher than pristine ZnS (0 to 1.6 V, 705 Fg−1). The different current controlling mechanisms has also been analyzed by theoretical study using Dunn’s differentiation method. The reported wide potential window offers the opportunity to develop asymmetric supercapattery device that can operate at broaden potential window. Furthermore, Al-ZnS//rGO supercapattery device operating at 1.5 V potential is constructed using Al-ZnS as anode and rGO as cathode. Al-ZnS//rGO supercapattery device demonstrates an excellent specific capacitance of approximately 250 Fg−1 and energy density of about 140 Whkg−1 at 5800 WKg−1. The designed supercapattery device also exhibits 98 % columbic and capacitance retention of 90 %. The designed work elaborates on new guidelines for novel electrode material and explores the possibility of achieving the wide potential windows that can be utilized for practical energy storage applications.
{"title":"Al intercalated ZnS nanosheets as anode for supercapattery application with wide operating potential window","authors":"Asmaa F. Kassem , Najam Ul Hassan , Ebraheem Abdu Musad Saleh , Rabbia Hasan , M.M. Moharam , Raed H. Althomali , Sana Ullah Asif , Kakul Husain , Gehan A. Hammouda","doi":"10.1016/j.inoche.2024.113588","DOIUrl":"10.1016/j.inoche.2024.113588","url":null,"abstract":"<div><div>Selection of electrode material and operating potential window are important factor affecting the specific capacitance, energy density and stability of energy storage devices. Pristine ZnS has attracted the researchers to be focused for electrochemical performance due to its high theoretical capacitance, easy fabrication, low cost and environmental friendliness. Herein, we report successful fabrication of Al intercalated ZnS (Al<sub>1.6</sub>Zn<sub>80.9</sub>S<sub>17.5</sub>) nanosheets to optimize the structure, morphology and electrochemical performance as anode material for supercapattery application. Al-ZnS (Al<sub>1.6</sub>Zn<sub>80.9</sub>S<sub>17.5</sub>) is operated at wider potential window −0.3 to 0.8 to achieve an excellent specific capacitance of 1414 Fg<sup>−1</sup> along with high energy density of about 90 Whkg<sup>−1</sup> at 6540 WKg<sup>−1</sup> power density, much higher than pristine ZnS (0 to 1.6 V, 705 Fg<sup>−1</sup>). The different current controlling mechanisms has also been analyzed by theoretical study using Dunn’s differentiation method. The reported wide potential window offers the opportunity to develop asymmetric supercapattery device that can operate at broaden potential window. Furthermore, Al-ZnS//rGO supercapattery device operating at 1.5 V potential is constructed using Al-ZnS as anode and rGO as cathode. Al-ZnS//rGO supercapattery device demonstrates an excellent specific capacitance of approximately 250 Fg<sup>−1</sup> and energy density of about 140 Whkg<sup>−1</sup> at 5800 WKg<sup>−1</sup>. The designed supercapattery device also exhibits 98 % columbic and capacitance retention of 90 %. The designed work elaborates on new guidelines for novel electrode material and explores the possibility of achieving the wide potential windows that can be utilized for practical energy storage applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"171 ","pages":"Article 113588"},"PeriodicalIF":4.4,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142706969","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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