Journal of The Chinese Chemical Society最新文献

{"title":"Cover: Journal of the Chinese Chemical Society 03/2025","authors":"","doi":"10.1002/jccs.70006","DOIUrl":"https://doi.org/10.1002/jccs.70006","url":null,"abstract":"<p><b>Focus of the figure:</b> This study explored the use of metal oxide-based nanoparticles for the photocatalytic degradation of agro-organochlorine pollutants. It highlighted how supporting or doping these nanoparticles reduces electron-hole recombination, introduces new Fermi levels and Schottky barriers, and enhances photocatalytic efficiency. Finally, ways to improve the performance of metal oxide-based nanoparticles were discussed. More details about this figure will be discussed by Dr. Stephen S. Emmanuel and his co-workers on pages 265–305 in this issue.\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 3","pages":"239"},"PeriodicalIF":1.6,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.70006","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689206","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rational design and exploitation of the molecular diversity space of PRX1-derived SRX1 peptidic inhibitors containing proteinogenic and nonproteinogenic amino acids","authors":"Haijin Yang,&nbsp;Ping Li,&nbsp;Yanxin Wan,&nbsp;Rongyuan Qiu,&nbsp;Mengxi Xiao,&nbsp;Zhiyuan Zhu,&nbsp;Xiaoqiong Wu","doi":"10.1002/jccs.70001","DOIUrl":"https://doi.org/10.1002/jccs.70001","url":null,"abstract":"<p>The peroxiredoxin-1 (PRX1) of redox peroxidase reduces reactive oxygen and nitrogen species levels in human cells and can be regulated by its interacting partner sulfiredoxin-1 (SRX1). A 9-mer core peptide segment (termed CTTc) located in the C-terminal tail of PRX1 was found previously to mediate the PRX1–SRX1 interaction, and proteinogenic amino acids were also examined for each residue of the CTTc peptide. However, only proteinogenic amino acids can guarantee sufficient exploitation of the structural diversity space of CTTc-derived peptidic inhibitors targeting SRX1. In this study, the structural diversity space was further expanded by introducing 34 nonproteinogenic amino acids plus 20 proteinogenic amino acids as the building blocks of nonapeptides, and a systematic single-position binding energy change (SSRBEC) profile of the nonapeptide against SRX1 was created computationally by performing machine learning scoring, molecular dynamics simulation, and binding energetics analysis. A reduced combinatorial peptide library consisting of over 500,000 nonproteinogenic amino acid-containing nonapeptide candidates was designed using a rational computational peptidology strategy based on the SSRBEC profile, from which a variety of top-scored hits were identified and their affinities to SRX1 were measured at the molecular level to substantiate the computational findings. Three nonproteinogenic amino acid-containing peptides, CTTc[ut8], CTTc[ut3], and CTTc[ut6] possessed high potency, and their affinities were improved considerably relative to the native CTTc peptide. Structural analysis revealed that the SRX1-binding peptide sequences can be divided into three sections, that is, amino-terminal section N, middle section M, and carboxy-terminal section C, in which section N and, secondarily, section C are primarily responsible for the peptide binding affinity and specificity to SRX1, while section M is exposed to solvent and does not directly interact with SRX1.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 4","pages":"427-439"},"PeriodicalIF":1.6,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143836355","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}

{"title":"Synthesis and photocatalytic degradation efficiency of MgFe2O4@CuO nanocomposite for Bromophenol blue dye removal","authors":"Kinza Maqsood,&nbsp;Rashid Ali,&nbsp;Khalil Ahmad,&nbsp;Mohamed A. El-Sheikh,&nbsp;Rashid Iqbal,&nbsp;Md Rezaul Karim,&nbsp;Syed Shoaib Ahmad Shah,&nbsp;Muhammad Altaf Nazir","doi":"10.1002/jccs.70000","DOIUrl":"https://doi.org/10.1002/jccs.70000","url":null,"abstract":"<p>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.</p>","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}

{"title":"Novel fluorescent probe based on benzotriazole selective detection Hg2+ in real samples","authors":"Yongchun Liu,&nbsp;Ziming Wang,&nbsp;Guowei Deng,&nbsp;Jia Li,&nbsp;Yuan Li,&nbsp;Zhichuan Shi","doi":"10.1002/jccs.202400367","DOIUrl":"https://doi.org/10.1002/jccs.202400367","url":null,"abstract":"<p>A novel reaction probe O-(2-(4-(1H-benzo[d][1,2,3]triazol-1-yl)phenyl)-4-oxo-4H-chromen-3-yl) O-phenyl carbonothioate (<b>O-PCBE</b>) synthesized from benzotriazole and benzopyrone. The structure was confirmed by NMR, HRMS, and IR characterization. The probe <b>O-PCBE</b> was non-fluorescent until Hg²⁺ was added, which markedly enhanced fluorescence with an excitation wavelength of 536 nm. The detection mechanism has been thoroughly validated through DFT calculations. Probe <b>O-PCBE</b> can sensitively detect Hg²⁺, achieving a detection limit of 1.08 × 10⁻⁷ mol/L. Within a pH range of 4–10, the probe exhibits high selectivity, a rapid detection response (2 min), and excellent anti-interference properties. Additionally, the probe demonstrates good recovery and accuracy in detecting real water samples.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 3","pages":"348-356"},"PeriodicalIF":1.6,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143688909","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}

{"title":"Toward design of novel materials for lithium-ion batteries: Aluminium nanoparticle-assisted seaweed-based separator","authors":"Sharon Mugobera,&nbsp;Kyuchul Lee,&nbsp;Jihyuk Jung,&nbsp;Inho Cho,&nbsp;Jang Myoun Ko,&nbsp;Kwang Se Lee","doi":"10.1002/jccs.202400338","DOIUrl":"https://doi.org/10.1002/jccs.202400338","url":null,"abstract":"<p>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.</p>","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}

{"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,&nbsp;Jiahe Chen,&nbsp;Qing Wang,&nbsp;Wenjing Xu,&nbsp;Jinfeng Zhao","doi":"10.1002/jccs.202400328","DOIUrl":"https://doi.org/10.1002/jccs.202400328","url":null,"abstract":"<p>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.</p>","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}

{"title":"Theoretical evaluation of nitrate reduction reaction on single-atom anchored boron nitride fullerene","authors":"Faiza Shafiq,&nbsp;Lei Yang,&nbsp;Weihua Zhu","doi":"10.1002/jccs.202400390","DOIUrl":"https://doi.org/10.1002/jccs.202400390","url":null,"abstract":"<p>Nitrate reduction reaction (NO₃RR) is a powerful technique for eliminating <span></span><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 (<i>U</i>_L) 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.</p>","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}

{"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,&nbsp;J. C. Carru,&nbsp;H. Guermazi,&nbsp;G. Leroy,&nbsp;B. Duponchel,&nbsp;S. Guermazi","doi":"10.1002/jccs.202400366","DOIUrl":"https://doi.org/10.1002/jccs.202400366","url":null,"abstract":"<p>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.</p>","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}

{"title":"Preview: Journal of the Chinese Chemical Society 02/2025","authors":"","doi":"10.1002/jccs.202502001","DOIUrl":"https://doi.org/10.1002/jccs.202502001","url":null,"abstract":"","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 2","pages":"237"},"PeriodicalIF":1.6,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.202502001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388965","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cover: Journal of the Chinese Chemical Society 02/2025","authors":"","doi":"10.1002/jccs.1993","DOIUrl":"https://doi.org/10.1002/jccs.1993","url":null,"abstract":"<p><b>Focus of the figure</b>: The development of an advanced AgNP-hydrogel composite for biomedical applications. The illustration showcases silver nanoparticles (AgNPs) incorporated into a hydrogel matrix, forming a porous structure for controlled release. This innovative material combines antimicrobial efficacy with enhanced wound healing, offering a promising solution for infection management. More details about this figure will be discussed by Dr. Ryan D. Corpuz and his co-workers on pages 124–162 in this issue.\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 2","pages":"95"},"PeriodicalIF":1.6,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.1993","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}