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

A fluorescent aptasensor based on MoSe2 nanosheets and exonuclease III-assisted signal amplification for sensitive detection of ZEN 基于MoSe2纳米片和外切酶iii辅助信号扩增的荧光适配体传感器用于ZEN的灵敏检测

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-05-07 DOI: 10.1002/jccs.70029

Jiayi Sun, Zhiguang Suo, Wenjie Ren, Yiwei Xu, Min Wei, Huali Jin, Baoshan He, Renyong Zhao

{"title":"A fluorescent aptasensor based on MoSe2 nanosheets and exonuclease III-assisted signal amplification for sensitive detection of ZEN","authors":"Jiayi Sun, Zhiguang Suo, Wenjie Ren, Yiwei Xu, Min Wei, Huali Jin, Baoshan He, Renyong Zhao","doi":"10.1002/jccs.70029","DOIUrl":"https://doi.org/10.1002/jccs.70029","url":null,"abstract":"Current detection methods for trace mycotoxins in the environment suffer from false negatives, false positives, or low accuracy. Therefore, it is important to establish a sensitive and efficient mycotoxin detection method for food safety. In this study, a novel fluorescent aptamer sensor is proposed by interacting layered MoSe2 nanosheets (MoSe2 NSs) with a zearalenone (ZEN) aptamer-functionalised FAM probe (Apt-FAM) that specifically binds to ZEN. The proximity of the fluorescent moiety FAM to MoSe2 NSs resulted in fluorescence quenching. With the presence of ZEN, Apt-FAM can specifically bind ZEN. Using ribonucleic acid exonuclease III (Exo III) as an auxiliary signal amplification and triggering surface desorption of MoSe2 NSs allows fluorescence signals to be recovered. Under optimal conditions, the sensor had a detection range of 0.05–100 ng/mL. The limit of detection (LOD) for ZEN in the range of 0.05–1 ng/mL was 6.4 pg/mL and the LOD for ZEN in the range of 5–100 ng/mL was 4.4 pg/mL. Furthermore, the aptasensor successfully measured ZEN levels in commercially bought corn and beer with satisfactory results.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 6","pages":"712-720"},"PeriodicalIF":1.6,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323617","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

Substituted 1,3,4-oxadiazole coupled 1,2,3-triazole derivatives as antiproliferative agents: Design, synthesis, biological evaluation and in silico studies 取代1,3,4-恶二唑偶联1,2,3-三唑衍生物作为抗增殖剂：设计、合成、生物学评价和硅研究

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-05-04 DOI: 10.1002/jccs.70025

Sreenivas Gandamalla, Satyanarayana Mavurapu, Kalyani Sambaru, Tejeswara Rao Allaka

{"title":"Substituted 1,3,4-oxadiazole coupled 1,2,3-triazole derivatives as antiproliferative agents: Design, synthesis, biological evaluation and in silico studies","authors":"Sreenivas Gandamalla, Satyanarayana Mavurapu, Kalyani Sambaru, Tejeswara Rao Allaka","doi":"10.1002/jccs.70025","DOIUrl":"https://doi.org/10.1002/jccs.70025","url":null,"abstract":"A novel class of substituted 1,3,4-oxadiazole coupled 1,2,3-triazole analogues were prepared and evaluated for their epidermal growth factor receptor (EGFR) inhibitory profiles and antiproliferative activities. The confirmation of the structures of the synthesized compounds was done using spectroscopic techniques. Using the MTT assay, the in vitro cytotoxicity was investigated against three human cancer cell lines, MDA-MB-468, HepG-2, and A549. Compound 8a had the highest anticancer activity against all cancer cell lines, with an IC50 range of 1.02 ± 0.56–3.67 ± 0.07 μM. The EGFR inhibition of the most active compounds, 8a, 8b, 8d, 8f, and 8h was further assessed. In contrast to Erlotinib (IC50 = 0.19 ± 0.07 μM), compounds 8b and 8h, demonstrated IC50 values of 0.54 ± 0.18 and 0.33 ± 0.06 μM, respectively. Binding interactions showed that the synthesized compounds were involved in inhibiting the growth of cancer by blocking the EGFR enzyme (PDB:3W2Q). The DFT/B3LYP method functionalized with a 6–31 g(d, p) basis set was employed to calculate quantum parameters, MEP analysis, HOMO, and LUMO. Compounds 8b, 8g, and 8h have displayed good in silico ADMET properties. Compounds 8b, 8g, 8h, and 8j displayed good drug-likeness scores (1.02, 1.09, 0.60, and 0.75) and none of the compounds can cross the blood–brain barrier because they are all outside the boiled egg yolk.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 6","pages":"721-738"},"PeriodicalIF":1.6,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323545","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

Influence of dysprosium substitution on the properties of cobalt-zinc ferrite nanoparticles: Structural, magnetic, and dielectric perspectives 镝取代对钴锌铁氧体纳米粒子性能的影响：结构、磁性和介电角度

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-05-04 DOI: 10.1002/jccs.70017

Saba Yousuf, Misbah Mirza, Nazia Yasmin, khamael M. Abualnaja, Muhammad Safdar

{"title":"Influence of dysprosium substitution on the properties of cobalt-zinc ferrite nanoparticles: Structural, magnetic, and dielectric perspectives","authors":"Saba Yousuf, Misbah Mirza, Nazia Yasmin, khamael M. Abualnaja, Muhammad Safdar","doi":"10.1002/jccs.70017","DOIUrl":"https://doi.org/10.1002/jccs.70017","url":null,"abstract":"A hydrothermal synthesis approach was employed to fabricate Ni₀.₂₅Co₀.₅Zn₀.₂₅DyₓFe₂O₄ nanoparticles with Dy substitution levels of x = 0.000, 0.025, 0.050, 0.075, and 0.100. X-ray diffraction analysis confirmed a single-phase spinel structure, with average crystallite sizes decreasing from 32.98 nm in the undoped sample to 18.30 nm at the highest Dy content and a concomitant increase in interplanar spacing (d(311)) from 0.2526 to 0.2554 nm. Specific surface area values rose from 36.38 to 65.56 m2 g−1. Williamson–Hall analysis estimated a crystallite size of approximately 12.81 nm and a microstrain of −0.00303, indicating lattice distortion due to Dy incorporation. Fourier-transform infrared spectroscopy revealed characteristic metal-oxygen stretching bands at ~588 cm−1 (tetrahedral) and ~458 cm−1 (octahedral), with slight shifts upon Dy doping. Magnetic measurements demonstrated superparamagnetic behavior with saturation magnetization values ranging from 34.7 to 40.8 emu g−1, while dielectric analysis showed frequency-dependent permittivity, highlighting the potential of these materials for energy storage and magnetic applications.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 6","pages":"677-692"},"PeriodicalIF":1.6,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323544","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

Understanding the N2/H2O/CO2 reactions mechanism in extreme conditions using reactive molecular dynamic simulations 利用反应分子动力学模拟了解极端条件下N2/H2O/CO2反应机理

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-04-29 DOI: 10.1002/jccs.70013

Aibin Wang, Simin Zhu, Xinyu Cao, Yong Li, Yinghui Li

引用次数: 0

Quantitative laser-scanning lateral flow immunoassay of luteinizing hormone with a handheld analyzer 手持式分析仪定量激光扫描侧流免疫分析促黄体生成素

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-04-28 DOI: 10.1002/jccs.70024

Yi-Xiu Tang, Yuen Yung Hui, An-Jie Liu, Wesley W.-W. Hsiao, Huan-Cheng Chang

{"title":"Quantitative laser-scanning lateral flow immunoassay of luteinizing hormone with a handheld analyzer","authors":"Yi-Xiu Tang, Yuen Yung Hui, An-Jie Liu, Wesley W.-W. Hsiao, Huan-Cheng Chang","doi":"10.1002/jccs.70024","DOIUrl":"https://doi.org/10.1002/jccs.70024","url":null,"abstract":"Lateral flow immunoassay (LFIA) is a promising analytical tool for the rapid and sensitive diagnostics of health conditions and diseases. However, conventional LFIA generally provides only qualitative and semi-quantitative results. This report introduces a novel technique known as laser-scanning LFIA, along with a prototype handheld analyzer known as the quantitative mobile immunoanalyzer (QMIA), to enhance its quantitative capability and practicality. The method employs a stepper motor to move a green laser beam across the test strip, while two photodiodes detect the light scattered from the nitrocellulose membrane. By using control line intensities as internal standards, we validated the assays with luteinizing hormone (LH) test strips, which have a cut-off value of 25 mIU/mL. The validation demonstrated less than 20% variability at LH concentrations above 1 mIU/mL. The utility of the assays was further showcased through daily monitoring of urinary LH levels in male and female volunteers over the course of a month. The QMIA reader is compact, reliable, and user-friendly, offering distinct advantages over existing devices for at-home and point-of-care testing.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 6","pages":"693-701"},"PeriodicalIF":1.6,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323656","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

In silico insights into dual COX inhibition by fluoro-substituted indole derivative using DFT, molecular docking, and MD simulation studies 利用DFT、分子对接和MD模拟研究，对氟取代吲哚衍生物的双重COX抑制进行了硅观察

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-04-25 DOI: 10.1002/jccs.70020

Mamta Pal, Raj Shukla, Anushree Maurya, Zohra Siddiqui, Ruchi Srivastava, Shilendra K. Pathak, Vikas K. Shukla, Onkar Prasad, Leena Sinha

{"title":"In silico insights into dual COX inhibition by fluoro-substituted indole derivative using DFT, molecular docking, and MD simulation studies","authors":"Mamta Pal, Raj Shukla, Anushree Maurya, Zohra Siddiqui, Ruchi Srivastava, Shilendra K. Pathak, Vikas K. Shukla, Onkar Prasad, Leena Sinha","doi":"10.1002/jccs.70020","DOIUrl":"https://doi.org/10.1002/jccs.70020","url":null,"abstract":"The present study investigates the molecular structure, vibrational frequencies, electronic properties, and pharmacological potential of ethyl 6-fluoro-1H-indole-2-carboxylate (EFI2C) using a combined experimental and theoretical approach. EFI2C was analyzed as a potential cyclooxygenase (COX) inhibitor with a focus on the co-inhibition of COX-1 and COX-2 enzymes to reduce adverse effects associated with conventional NSAIDs. Molecular docking revealed that EFI2C forms polar hydrogen bonds and hydrophobic interactions with COX-1 (PDBs 3KK6 and 3N8Y) and COX-2 (PDBs 1CX2 and 4 M11), indicating strong binding affinities. The lowest-energy conformer of EFI2C, obtained through potential energy scanning, was re-optimized using a higher basis set. An excellent agreement between experimental and theoretical vibrational modes has been obtained. Intermolecular hydrogen bonding interactions were characterized using QTAIM and NBO methodologies. Pharmacokinetic analysis revealed a bioavailability score of 0.55, indicating efficient absorption into the bloodstream. Molecular dynamics simulations of the 3N8Y-EFI2C and 1CX2-EFI2C complexes for 100 ns confirmed the dynamic stability of the ligand within receptor binding sites. The dual action of EFI2C on COX-1 and COX-2 suggests its potential to retain the anti-inflammatory efficacy of NSAIDs while minimizing gastrointestinal and cardiovascular side effects. This study positions EFI2C as a promising lead compound for the development of safer, more effective nonsteroidal anti-inflammatory drugs.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 6","pages":"653-676"},"PeriodicalIF":1.6,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323456","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

Integrating synthesis, enzyme inhibition and in silico studies: Carbamoyl luteolin derivatives targeting Alzheimer's disease 整合合成、酶抑制和硅研究：针对阿尔茨海默病的氨甲酰木犀草素衍生物

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-04-23 DOI: 10.1002/jccs.70026

The-Huan Tran, Thi-My-Hanh Nguyen, Thi-Cam-Nhung Cao, Thai-Son Tran, Thanh-Tan Mai, Thanh-Dao Tran

{"title":"Integrating synthesis, enzyme inhibition and in silico studies: Carbamoyl luteolin derivatives targeting Alzheimer's disease","authors":"The-Huan Tran, Thi-My-Hanh Nguyen, Thi-Cam-Nhung Cao, Thai-Son Tran, Thanh-Tan Mai, Thanh-Dao Tran","doi":"10.1002/jccs.70026","DOIUrl":"https://doi.org/10.1002/jccs.70026","url":null,"abstract":"Alzheimer's disease is one of the most common neurodegenerative disorders, where acetylcholinesterase (AChE) and monoacylglycerol lipase (MAGL) play critical roles in its pathophysiology. In this study, six carbamoyl luteolin derivatives were synthesized from luteolin via reactions with carbamoyl chloride reagents, achieving yields ranging from 41% to 64%. The structures of these derivatives were characterized using UV, HRMS, 1H-NMR, and 13C-NMR spectroscopy. Biological evaluation demonstrated that derivatives L1 (IC50 = 42.0 μM for AChE, 58.0 μM for MAGL) and L3 (IC50 = 114.2 μM for AChE, 34.9 μM for MAGL) exhibited significantly enhanced inhibitory activities compared with luteolin. Computational studies, including molecular docking and molecular dynamics simulations, validated the strong binding affinities and stable interactions of L1 and L3 with the enzymes' active sites. These findings suggest that modifying luteolin with carbamate groups can improve enzymatic inhibitory activity, providing a foundation for developing flavone-based derivatives as potential therapeutic candidates for Alzheimer's disease.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 6","pages":"739-750"},"PeriodicalIF":1.6,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323765","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

A sensitive and stable electrochemical immunosensor for glycocholic acid in serum detection based on MoS2 and MWCNTs composites 基于MoS2和MWCNTs复合材料的灵敏、稳定的血清检测胆酸电化学免疫传感器

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-04-21 DOI: 10.1002/jccs.70019

Zhiwen Wang, Yuexin Pei, Zehui Wang, Yaoshuang Liu, Xiangzhen Xing, Hong Zhu, Zhiwei zhu, Hong Dong

{"title":"A sensitive and stable electrochemical immunosensor for glycocholic acid in serum detection based on MoS2 and MWCNTs composites","authors":"Zhiwen Wang, Yuexin Pei, Zehui Wang, Yaoshuang Liu, Xiangzhen Xing, Hong Zhu, Zhiwei zhu, Hong Dong","doi":"10.1002/jccs.70019","DOIUrl":"https://doi.org/10.1002/jccs.70019","url":null,"abstract":"Glycocholic acid detection (cholyglycine, CG) is desirable as a liver disease marker. In this study, a sensitive and stable immunosensor for rapid detection of CG was constructed. This immunosensor was fabricated by immobilizing CG antibodies on MoS2 composites containing gold nanoparticles (AuNPs) and molybdenum disulfide (MoS2) with multi-walled carbon nanotubes (MWCNTs) as an electrical signaling carrier. The immunosensor had outstanding sensitivity and stability. It showed good analytical performance in human serum, with a detection limit of 1 ng/mL and a linear range of 1–80 ng/mL. The detection results of the CG immunosensor are consistent with the latex-enhanced immunoturbidimetry. The tests of the detection capabilities for actual samples verified that the prepared immunosensors had excellent selectivity, high sensitivity, and sufficient reproducibility, and satisfactory results were obtained. This method shows great potential for the detection of CG in serum.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 6","pages":"702-711"},"PeriodicalIF":1.6,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323706","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

Cover: Journal of the Chinese Chemical Society 04/2025 封面：《中国化学会学报》2025年4月号

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-04-16 DOI: 10.1002/jccs.70021

引用次数: 0

Comparison of the antimicrobial effects of zinc titanium and aluminum doped copper oxide nanoparticles produced under the same conditions 在相同条件下制备的锌钛和铝掺杂氧化铜纳米颗粒的抗菌效果比较

IF 1.6 4区化学

Journal of The Chinese Chemical Society Pub Date : 2025-04-16 DOI: 10.1002/jccs.70016

Mustafa Yılmaz, Şehrazat Yaren Aykut, Muhammed Kıyami Erdim, Ayşegül Çelik Bozdoğan, Günseli Kurt Gür, Çiğdem Oruç

{"title":"Comparison of the antimicrobial effects of zinc titanium and aluminum doped copper oxide nanoparticles produced under the same conditions","authors":"Mustafa Yılmaz, Şehrazat Yaren Aykut, Muhammed Kıyami Erdim, Ayşegül Çelik Bozdoğan, Günseli Kurt Gür, Çiğdem Oruç","doi":"10.1002/jccs.70016","DOIUrl":"https://doi.org/10.1002/jccs.70016","url":null,"abstract":"The antibacterial nanoparticles have technological uses in many areas, from wall paint to clothing, from medicine to agriculture. Such copper oxide (CuO) nanoparticles can be easily produced by the sol–gel method. In this study, primarily pure CuO and CuO nanoparticles doped with 4%, 8%, 12%, and 16% zinc, titanium, and aluminum were produced by the sol–gel method. Field Emission Scanning Electron Microscopy (FESEM), Fourier transform infrared spectroscopy (FTIR) and x-ray diffraction (XRD) analyses of all produced nanoparticles were performed. The dimensions of pure CuO nanoparticles are approximately 50 nm, while the doped nanoparticles are approximately 80 nm. Bacterial cultivation was carried out using the nanoparticles that had been converted into tablets, with Escherichia coli and Agrobacterium tumefaciens as the test microorganisms. When disc diffusion test results were evaluated, it was generally observed that doping increased the antibacterial effect compared to pure CuO. The additives providing the antibacterial effect for E. coli caused the inhibition zones to grow at an average rate of Al (27%), Zn (15%), and TiO (6%), respectively. In A. tumefaciens bacteria, an increase was observed in the antibacterial effect inhibition zones with Al and Zn additives, while a decrease was observed with TiO additives. As a result, it was seen that CuO doping increased the antibacterial effect, and the best effect was Al doping. When all data were evaluated, the highest antibacterial effect was achieved with 8% Aluminum additive, resulting in a 34% increase in the inhibition diameter for E. coli and a 37% increase for A. tumefaciens.","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 5","pages":"464-475"},"PeriodicalIF":1.6,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143950561","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