Journal of The Chinese Chemical Society最新文献_第2页

Synthesis and photocatalytic degradation efficiency of MgFe2O4@CuO nanocomposite for Bromophenol blue dye removal 用于去除溴酚蓝染料的 MgFe2O4@CuO 纳米复合材料的合成及其光催化降解效率

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-03-14 DOI: 10.1002/jccs.70000

Kinza Maqsood, Rashid Ali, Khalil Ahmad, Mohamed A. El-Sheikh, Rashid Iqbal, Md Rezaul Karim, Syed Shoaib Ahmad Shah, Muhammad Altaf Nazir

{"title":"Synthesis and photocatalytic degradation efficiency of MgFe2O4@CuO nanocomposite for Bromophenol blue dye removal","authors":"Kinza Maqsood, Rashid Ali, Khalil Ahmad, Mohamed A. El-Sheikh, Rashid Iqbal, Md Rezaul Karim, Syed Shoaib Ahmad Shah, Muhammad Altaf Nazir","doi":"10.1002/jccs.70000","DOIUrl":"https://doi.org/10.1002/jccs.70000","url":null,"abstract":"Rapid advances in science and technology have made life easier, but they have also brought forth a number of issues that put both living things and non-living objects at risk. In this work, MgFe2O4@CuO has been synthesized via the co-precipitation method to minimize the creation of environmentally unfavorable gases, demonstrating the need for materials that may be used for both purposes. Particularly, the nanocomposite MgFe2O4@CuO aims at the removal of Bromophenol blue (BPB) dye. Utilizing FTIR, XRD, EDX and SEM, the as-synthesized material was examined. Therefore, a number of parameters, including contact duration, pH activity, etc., were thoroughly examined in order to measure the effectiveness of photocatalytic degradation. The photocatalytic degradation efficiency of the composite is noticed to be 52.68%, 66.65%, and 90.94% at 15, 30, and 45 min, respectively. Of all the samples, the composite heterojunction exhibits the highest photocatalytic degradation efficiency. According to the results, magnetic ferrite in a heterojunction enhances charge transfer, decreases electron–hole recombination, and increases radiation absorption. The Results of this work exhibit the efficiency of MgFe2O4@CuO for industrial wastewater treatment. As a result, the synthesized material is both affordable and useful for a variety of tasks.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 4","pages":"390-400"},"PeriodicalIF":1.6,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835798","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}

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Novel fluorescent probe based on benzotriazole selective detection Hg2+ in real samples 基于苯并三唑的新型荧光探针选择性检测实际样品中的Hg2+

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-02-20 DOI: 10.1002/jccs.202400367

Yongchun Liu, Ziming Wang, Guowei Deng, Jia Li, Yuan Li, Zhichuan Shi

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Toward design of novel materials for lithium-ion batteries: Aluminium nanoparticle-assisted seaweed-based separator 锂离子电池新材料的设计：铝纳米颗粒辅助海藻基分离器

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-02-19 DOI: 10.1002/jccs.202400338

Sharon Mugobera, Kyuchul Lee, Jihyuk Jung, Inho Cho, Jang Myoun Ko, Kwang Se Lee

{"title":"Toward design of novel materials for lithium-ion batteries: Aluminium nanoparticle-assisted seaweed-based separator","authors":"Sharon Mugobera, Kyuchul Lee, Jihyuk Jung, Inho Cho, Jang Myoun Ko, Kwang Se Lee","doi":"10.1002/jccs.202400338","DOIUrl":"https://doi.org/10.1002/jccs.202400338","url":null,"abstract":"Separators are a crucial component and play a pivotal role in battery performance and safety. In this study, a cellulose nanofibril separator was prepared from red algae. The generated nanosized cellulose fibrils were used in the preparation of the separator. The produced separator was analyzed for electrochemical performance, thermal stability, and morphology in comparison to the commercial polyethylene (PE) separator. The obtained densely linked nanoporous separator exhibited a capacity retention of 80% over 600 cycles. It had very good wettability and ionic conductivity results due to its excellent hydrophilic nature enhanced by the presence of the hydroxyl groups. The excellent physical properties of the aluminium nanoparticle-assisted seaweed-based separator (ASS) due to the presence of Al2O3, aided in its resilience to heat and maintained its dimensions. It exhibited greater electrochemical performance compared to the commercial PE. At 2C the discharge specific capacity was at 83 mAh/g for ASS and PE 77 mAh/g. However, the separators both exhibited comparable results at low C-rates. This study offers an achievable option for the production of an effective seaweed-based separator for use in lithium-ion batteries exceptional physical properties.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 4","pages":"401-408"},"PeriodicalIF":1.6,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143836362","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}

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Theoretical exploration on excited state behaviors for 2-(1H-benzo[d]imidazole-2-yl)-6-(benzo[d]-thiazol-2-yl)-4-bromophenol in nonpolar and polar solvents 非极性和极性溶剂中 2-(1H-苯并[d]咪唑-2-基)-6-(苯并[d]噻唑-2-基)-4-溴苯酚激发态行为的理论探索

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-02-19 DOI: 10.1002/jccs.202400328

Xiaoyi Fu, Jiahe Chen, Qing Wang, Wenjing Xu, Jinfeng Zhao

{"title":"Theoretical exploration on excited state behaviors for 2-(1H-benzo[d]imidazole-2-yl)-6-(benzo[d]-thiazol-2-yl)-4-bromophenol in nonpolar and polar solvents","authors":"Xiaoyi Fu, Jiahe Chen, Qing Wang, Wenjing Xu, Jinfeng Zhao","doi":"10.1002/jccs.202400328","DOIUrl":"https://doi.org/10.1002/jccs.202400328","url":null,"abstract":"Given the potential significance of novel organic fluorophores with potential dual-way proton transfer (PT) reaction channels, in this work we mainly focus on probing into the excited state behaviors for the novel 2-(1H-benzo[d]imidazole-2-yl)-6-(benzo[d]-thiazol-2-yl)-4-bromophenol (BIBTB) fluorophore. Given the two-way PT channels, we firstly check the stable form with hydroxyl points to imidazole and thiazole rings in solvents with different polarities. By twisting dihedral angles (θ1, θ2 and θ3) in the S0 state, we theoretically verify that the A form (hydroxyl points to thiazole ring) should be the most important part in nonpolar and moderately polar solvents, while the D structure (hydroxyl points toward imidazole ring) becomes more important in polar solvents. Mainly focusing on nonpolar cyclohexane (CYC) and polar acetonitrile (ACE) solvents, we compare the geometrical changes and infrared (IR) vibrational spectral behaviors related to hydrogen bonds. The charge reorganization resulting from frontier molecular orbitals (MOs) and predicted hydrogen bonding energies further reflects the excited state intramolecular proton transfer (ESIPT) tendency. By constructing potential energy curves (PECs) and searching for transition state (TS) forms, we confirm and expound the ultrafast ESIPT mechanism for the BIBTB fluorophore.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 4","pages":"367-373"},"PeriodicalIF":1.6,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143836361","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}

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Theoretical evaluation of nitrate reduction reaction on single-atom anchored boron nitride fullerene 单原子锚定氮化硼富勒烯上硝酸还原反应的理论评价

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-02-18 DOI: 10.1002/jccs.202400390

Faiza Shafiq, Lei Yang, Weihua Zhu

{"title":"Theoretical evaluation of nitrate reduction reaction on single-atom anchored boron nitride fullerene","authors":"Faiza Shafiq, Lei Yang, Weihua Zhu","doi":"10.1002/jccs.202400390","DOIUrl":"https://doi.org/10.1002/jccs.202400390","url":null,"abstract":"Nitrate reduction reaction (NO3RR) is a powerful technique for eliminating <math>\u0000 <mrow>\u0000 <msubsup>\u0000 <mi>NO</mi>\u0000 <mn>3</mn>\u0000 <mo>−</mo>\u0000 </msubsup>\u0000 </mrow></math> pollution. Here, NO3RRs on transition metal-doped boron nitride fullerene (TM/B11N12) were thoroughly examined utilizing density functional theory (DFT). Co/B11N12, a potential single-atom catalyst (SAC) with a low thermal barrier for NO3RR toward NH3 synthesis with good stability, activity, and selectivity, was successfully screened out. Co/B11N12 has the lowest limiting potential (UL) of −0.45 V and good NO3RR performance. Due to the comparatively restrained adsorption of proton on Co/B11N12, competitive hydrogen evolution reaction (HER) is substantially limited. The excellent selectivity for the production of NH3 is ensured by significant energy barrier prerequisite for the formation of by-products (NO, NO2, N2O, and N2) on Co/B11N12. By ab initio molecular dynamics (AIMD) simulations, Co/B11N12 exhibits remarkable structural stability at 400 K with minimal distortion as compared to its initial shape. Our research may not only offer a fundamental understanding of the activity origin of NO3RR and catalytic mechanism on TM/B11N12 but also open up opportunities for rational designing of SACs for NO3RR toward the NH3 synthesis.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 3","pages":"257-264"},"PeriodicalIF":1.6,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689047","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

The effect of Si and Nb doping on physical properties of ZnO powder with high photocatalytic performances on the degradation of organic pollutants Si和Nb掺杂对高光催化降解有机污染物性能ZnO粉体物理性能的影响

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-02-17 DOI: 10.1002/jccs.202400366

G. Essalah, J. C. Carru, H. Guermazi, G. Leroy, B. Duponchel, S. Guermazi

{"title":"The effect of Si and Nb doping on physical properties of ZnO powder with high photocatalytic performances on the degradation of organic pollutants","authors":"G. Essalah, J. C. Carru, H. Guermazi, G. Leroy, B. Duponchel, S. Guermazi","doi":"10.1002/jccs.202400366","DOIUrl":"https://doi.org/10.1002/jccs.202400366","url":null,"abstract":"The dopant elements of ZnO matrix play a crucial role in enhancing the performance of desired properties. Hence, in this article we introduce a comparative study between 1% Si and 1% Nb-doped ZnO properties. The structural investigation proves the successful preparation of Si and Nb- doped ZnO. In addition, the impedance spectra of Nb-doped ZnO are well adjusted using an equivalent circuit formed by serial contributions of two parallel resistance R and constant phase element (CPE). Thus, we demonstrate that the capacitive behavior is due to improved grain boundary effect. While ZnO:Si impedance spectra are modeled by a circuit formed by a parallel connection of a resistance R and a capacitance C. In addition, ZnO:Nb exhibits thermally activated DC conductivity, while ZnO:Si conductivity is quasi-independent of temperature. With Si doping, dielectric properties shift to those of an insulator. Moreover, the obtained results prove Nb-doping can be a promising route to make ZnO a good candidate for applications as thermistor with a Negative Temperature Coefficient (NTC). In addition, Si, Nb doped ZnO show excellent photocatalytic performances in methylene blue degradation, that reached 97% under solar light illumination for 105 min. This makes them promising candidates for wastewater purification.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 3","pages":"317-332"},"PeriodicalIF":1.6,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689124","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}

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Preview: Journal of the Chinese Chemical Society 02/2025 《中国化学会学报》2025年第2期

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-02-12 DOI: 10.1002/jccs.202502001

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Cover: Journal of the Chinese Chemical Society 02/2025 封面：《中国化学会学报》2025年第02期

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-02-12 DOI: 10.1002/jccs.1993

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Contents and Masthead: Journal of the Chinese Chemical Society 02/2025 目录及刊头：《中国化学会学报》第02/2025期

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-02-12 DOI: 10.1002/jccs.1994

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How simple models explain complex protein folding behaviors 简单的模型如何解释复杂的蛋白质折叠行为

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-02-11 DOI: 10.1002/jccs.202400396

Min-Yeh Tsai

{"title":"How simple models explain complex protein folding behaviors","authors":"Min-Yeh Tsai","doi":"10.1002/jccs.202400396","DOIUrl":"https://doi.org/10.1002/jccs.202400396","url":null,"abstract":"Understanding complex protein folding behaviors requires simplified models that capture the essential features of the folding process. Protein folding involves a delicate interplay between short-range (secondary) and long-range (tertiary) interactions, which together dictate the thermodynamic and kinetic properties of the system. In this study, we employ a mean-field framework to investigate these interactions using three progressively refined models. The regular model considers only short-range, nearest-neighbor interactions and reveals a cooperative folding transition driven by localized secondary interactions, consistent with standard two-state folding behavior. The Bryngelson–Wolynes (BW) model incorporates stochastic nonlocal interactions, demonstrating long-range cooperativity and introducing energy landscape ruggedness that shifts the folding transition. The modified Bryngelson–Wolynes (M-BW) model integrates both short-range and long-range effects, leading to the emergence of a hysteresis loop characteristic of first-order-like phase transitions, even in finite systems. These results suggest that the interplay between secondary and tertiary interactions is sufficient to induce phase transition-like properties in proteins. By providing a unified framework, this study highlights how simplified models can elucidate the complex dynamics of protein folding, misfolding, and aggregation, offering critical insights into the underlying mechanisms of these fundamental biological processes.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 3","pages":"247-256"},"PeriodicalIF":1.6,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143688708","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