发布求助
文献互助 智能选刊 最新文献

Journal of The Chinese Chemical Society最新文献

筛选
英文 中文
Temperature correction to dichotomic fluctuation models for open quantum system dynamics 开放量子系统动力学二分涨落模型的温度校正
IF 1.5 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2025-08-14 DOI: 10.1002/jccs.70061
Tai Chou Wang, Chiao-Yuan Hung, Kai-Cheng Liu, Yuan-Chung Cheng
{"title":"Temperature correction to dichotomic fluctuation models for open quantum system dynamics","authors":"Tai Chou Wang,&nbsp;Chiao-Yuan Hung,&nbsp;Kai-Cheng Liu,&nbsp;Yuan-Chung Cheng","doi":"10.1002/jccs.70061","DOIUrl":"https://doi.org/10.1002/jccs.70061","url":null,"abstract":"<p>We investigate the dynamics of an asymmetric two-level system (TLS) subject to stochastic energy fluctuations described by a dichotomic Markov process, which is a powerful model applicable to excitonic transport in molecular aggregates, decoherence in qubits, and spectral fluctuations in single-molecule spectroscopy. While the standard dichotomic noise model offers exact solutions that capture non-Markovian dynamics, it violates detailed balance and fails to ensure thermal equilibrium. To overcome this, we introduce a temperature-corrected version by adding a counterterm to the exact equations of motion, thereby restoring the correct equilibrium behavior. Furthermore, we explore the TLS dynamics under varying initial conditions and parameter regimes. The results demonstrate that the model reproduces both short-time coherent evolution and long-time thermal populations and captures single-system behavior relevant to experiments on isolated quantum systems. This work provides a powerful framework for studying non-Markovian dynamics in open quantum systems.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 9","pages":"958-973"},"PeriodicalIF":1.5,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145101052","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
Impression of fused chalcogens (O, S, and Se) with acene molecules on optical and charge transport properties: A theoretical study 融合的硫原（O， S和Se）与烯分子对光学和电荷输运性质的影响：一个理论研究
IF 1.5 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2025-08-04 DOI: 10.1002/jccs.70054
Ritu Sehrawat, Chandrika Malik, Sheetal Gahlawat, Vijay Dangi, Anuj Tripathi
{"title":"Impression of fused chalcogens (O, S, and Se) with acene molecules on optical and charge transport properties: A theoretical study","authors":"Ritu Sehrawat,&nbsp;Chandrika Malik,&nbsp;Sheetal Gahlawat,&nbsp;Vijay Dangi,&nbsp;Anuj Tripathi","doi":"10.1002/jccs.70054","DOIUrl":"https://doi.org/10.1002/jccs.70054","url":null,"abstract":"<p>This article presents a comparative computational study on the optical and charge transport properties of fused acenes and their chalcogen-based analogues. Two series of molecules were investigated, with the benzene rings in the acenes replaced by five-membered heterocyclic rings. The heterocycles studied include furan, thiophene, and selenophene. Density functional theory (DFT) and time-dependent density functional theory (TDDFT) methodologies were employed to analyze the absorption properties of all the molecules. Additionally, the hole and electron reorganization energies, along with ionization potentials and electron affinities, are reported for each designed molecule. The aim of this study is to elucidate the impact of replacing benzene rings with five-membered rings on the optical and charge transport properties.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 9","pages":"985-992"},"PeriodicalIF":1.5,"publicationDate":"2025-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145100957","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
Recent advances in nano-architecture materials for the photocatalytic degradation of organic sunscreen chemical water pollutants 纳米结构材料光催化降解有机防晒化学水污染物的研究进展
IF 1.5 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2025-07-29 DOI: 10.1002/jccs.70062
Stephen Sunday Emmanuel, Abdullah K. Alanazi, Ademidun Adeola Adesibikan, Gloria Onome Achurefe, Ebenezer Temiloluwa Abimbola, Miracle Adeyeni Ajayi
{"title":"Recent advances in nano-architecture materials for the photocatalytic degradation of organic sunscreen chemical water pollutants","authors":"Stephen Sunday Emmanuel,&nbsp;Abdullah K. Alanazi,&nbsp;Ademidun Adeola Adesibikan,&nbsp;Gloria Onome Achurefe,&nbsp;Ebenezer Temiloluwa Abimbola,&nbsp;Miracle Adeyeni Ajayi","doi":"10.1002/jccs.70062","DOIUrl":"https://doi.org/10.1002/jccs.70062","url":null,"abstract":"<p>Organic sunscreen chemicals (OSSC) are a two-edged sword, filtering UV irradiation from the human body (preventing it from penetrating the skin and causing damage) while infiltrating the environment as pollutants, especially aquatic bodies. Interestingly, photocatalytic degradation employing nanoarchitecture materials has emerged as a cutting-edge technique for cleaning up these aquatic contaminants. The goal of this work is to review the remediation of OSSC through photocatalytic degradation-oriented technology and holistically evaluate the performance of various nanoarchitecture materials. As part of the novelty to demonstrate the pilot/industrial-scale potential and eco-economic benefits of this strategy, this work reviews recyclability and real-life application studies, which are sometimes overlooked. Also, this work reviews the effect of radical scavengers and electron trapping studies to clarify the process of OSSC photocatalytic degradation. Remarkably, it was discovered that various nanomaterials can deliver over 70%–100% degradation efficiency in 4–540 min. Additionally, the electron trapping studies revealed that the primary radicals in charge of photocatalytic degradation activities are ˙O<sub>2</sub><sup>−</sup> and ˙OH. The findings also showed that different nanomaterials may be reused 2–10 times while maintaining &gt;70% of the initial efficiency. This review demonstrated that nanoarchitecture materials are game changers for the sustainable and effective remediation of organic sunscreen chemicals.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 9","pages":"935-957"},"PeriodicalIF":1.5,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145102373","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
Green/yellow-emitting diphenylbenzoimidazole-based iridium(III) complexes influenced by ancillary ligands 受辅助配体影响的绿/黄发光二苯基苯并咪唑基铱（III）配合物
IF 1.5 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2025-07-28 DOI: 10.1002/jccs.70060
Yi-Fan Xu, Dao-Wei Li, Si-Yu Chen, Zhi-Gang Niu, Gao-Nan Li
{"title":"Green/yellow-emitting diphenylbenzoimidazole-based iridium(III) complexes influenced by ancillary ligands","authors":"Yi-Fan Xu,&nbsp;Dao-Wei Li,&nbsp;Si-Yu Chen,&nbsp;Zhi-Gang Niu,&nbsp;Gao-Nan Li","doi":"10.1002/jccs.70060","DOIUrl":"https://doi.org/10.1002/jccs.70060","url":null,"abstract":"<p>Two new diphenylbenzoimidazole-based bis-cyclometalated Ir(III) complexes containing different ancillary ligands, namely [(fppbiz)<sub>2</sub>Ir(piz)][PF<sub>6</sub>] (<b>Ir1</b>) and [(fppbiz)<sub>2</sub>Ir(pbiz)][PF<sub>6</sub>] (<b>Ir2</b>) (where fppbiz = 2-(4-fluorophenyl)-1-phenyl-1H-benzo[d]imidazole, piz = 2-(pyridin-2-yl)-1H-imidazole and pbiz = 2-(pyridin-2-yl)-1H-benzo[d]imidazole), were synthesized and characterized. The crystal structure of <b>Ir2</b> was determined by X-ray analysis, revealing intermolecular π-π and C-H···π interactions within the crystal packings. These Ir(III) complexes exhibited green and yellow emission with high photoluminescence quantum yields of 40.9% and 36.3% and short lifetimes of 0.20 and 0.27 μs, respectively. Their photophysical and electrochemical properties were systematically studied to establish the structure–property relationship upon the change of ancillary ligands, and theoretical calculations were used to further support the deduction.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 9","pages":"1030-1036"},"PeriodicalIF":1.5,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145102368","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
Synergistic micrometer flower bloom: Quercetin electrochemical sensing platform constructed from CuO-C/NiCo2O4 composite material 协同微米开花：CuO-C/NiCo2O4复合材料构建槲皮素电化学传感平台
IF 1.5 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2025-07-21 DOI: 10.1002/jccs.70056
Yalai Cen, Yuelan Fang, Xiaokun Li
{"title":"Synergistic micrometer flower bloom: Quercetin electrochemical sensing platform constructed from CuO-C/NiCo2O4 composite material","authors":"Yalai Cen,&nbsp;Yuelan Fang,&nbsp;Xiaokun Li","doi":"10.1002/jccs.70056","DOIUrl":"https://doi.org/10.1002/jccs.70056","url":null,"abstract":"<p>The pharmacological, biological, and biochemical properties of quercetin hold significant implications in the realms of medicinal chemistry, biochemistry, and clinical medicine. In this study, metal–organic framework (Cu-MOF), nickel nitrate, and cobalt nitrate were used as raw materials, and metal-oxide (CuO-C/NiCo<sub>2</sub>O<sub>4</sub>) composites containing carbonaceous and floral structures were prepared by annealing and co-precipitation techniques. The CuO-C/NiCo<sub>2</sub>O<sub>4</sub>/GCE composite electrode was acquired by embellishing CuO-C/NiCo<sub>2</sub>O<sub>4</sub> on polished glassy carbon electrodes (GCE) using dropwise coating. The synthesized CuO-C/NiCo<sub>2</sub>O<sub>4</sub> was investigated through: (i) scanning electron microscopy (SEM) imaging for morphological evaluation, (ii) X-ray diffraction (XRD) for phase identification, and (iii) X-ray photoelectron spectroscopy (XPS) for elemental state determination. The results revealed that the CuO-C/NiCo₂O₄ composites have a loose and porous surface, an elevated active surface area, high electrical conductivity, and electrocatalytic properties. Based on this result, an electrochemically novel sensor for the detection of quercetin using CuO-C/NiCo₂O₄ composites was developed. The sensor displayed high reproducibility, redox stability, and anti-interference capability in the detection of quercetin. In addition, the peak current measured by this sensor was linearly correlated with the density of quercetin, exhibiting a wide linearity response from 0.1 to 20 μM with an ultralow detection limit of 0.092 μM. These advantages originate in the synergy between CuO-C and NiCo<sub>2</sub>O<sub>4</sub>. Currently, the constructed electrochemical sensor has been successfully employed for the determination of quercetin content in ginkgo biloba leaf.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 9","pages":"1019-1029"},"PeriodicalIF":1.5,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145101953","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 07/2025 封面：中国化学会会刊07/2025
IF 1.6 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2025-07-19 DOI: 10.1002/jccs.70059
{"title":"Cover: Journal of the Chinese Chemical Society 07/2025","authors":"","doi":"10.1002/jccs.70059","DOIUrl":"https://doi.org/10.1002/jccs.70059","url":null,"abstract":"<p><b>Focus of the figure:</b> Piezoresponse force microscopy results demonstrate that ZnFe<sub>2</sub>O<sub>4</sub>-BaTiO<sub>3</sub> magnetoelectric core-shell nanoparticles exhibit a stable core-shell configuration up to 1V, beyond which structural disintegration occurs. The instability of ZFO-BTO ME CSNPs is attributed to non-uniform interfacial strain, low ZnFe<sub>2</sub>O<sub>4</sub> core magnetostriction, and a suboptimal core-to-shell thickness ratio. These findings provide valuable insights into the design of novel core-shell nanocomposites with enhanced magnetoelectric coupling and structural stability. More details about this figure will be discussed by Dr. A. Rajesh and his co-workers on pages 775–786 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 7","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.70059","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144662901","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}
引用次数: 0
Preview: Journal of the Chinese Chemical Society 07/2025 《中国化学会学报》2025年第7期
IF 1.6 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2025-07-19 DOI: 10.1002/jccs.70057
{"title":"Preview: Journal of the Chinese Chemical Society 07/2025","authors":"","doi":"10.1002/jccs.70057","DOIUrl":"https://doi.org/10.1002/jccs.70057","url":null,"abstract":"","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 7","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.70057","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144662832","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}
引用次数: 0
Contents and Masthead: Journal of the Chinese Chemical Society 7/2025 目录及刊头：中国化学会学报7/2025
IF 1.6 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2025-07-19 DOI: 10.1002/jccs.70058
{"title":"Contents and Masthead: Journal of the Chinese Chemical Society 7/2025","authors":"","doi":"10.1002/jccs.70058","DOIUrl":"https://doi.org/10.1002/jccs.70058","url":null,"abstract":"","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 7","pages":"754-760"},"PeriodicalIF":1.6,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.70058","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144662902","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}
引用次数: 0
Synthesis and anti-inflammatory effect of naturally occurring xanthohumol O and related compounds 天然黄腐酚O及相关化合物的合成及抗炎作用
IF 1.5 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2025-07-08 DOI: 10.1002/jccs.70051
Huei-Ling You, Chien-Huei Yang, Fei-Pei Kao, Yuh-Chiang Shen, Ming-Jaw Don
{"title":"Synthesis and anti-inflammatory effect of naturally occurring xanthohumol O and related compounds","authors":"Huei-Ling You,&nbsp;Chien-Huei Yang,&nbsp;Fei-Pei Kao,&nbsp;Yuh-Chiang Shen,&nbsp;Ming-Jaw Don","doi":"10.1002/jccs.70051","DOIUrl":"https://doi.org/10.1002/jccs.70051","url":null,"abstract":"<p>Naturally occurring xanthohumol O (<b>2</b>) and related compounds (<b>3</b> and <b>4</b>) were synthesized successfully. The core structure of chalcone was synthesized by Claisen−Schmidt condensation from appropriate acetophenones and benzaldehydes. The structures of synthetic compounds (<b>2</b>–<b>4</b>) were verified on the basis of NMR and HR-MS spectral data. The synthetic xanthohumol O showed strong anti-inflammatory effect with an EC<sub>50</sub>.value of 0.79 μM.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 8","pages":"902-909"},"PeriodicalIF":1.5,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144897161","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
Theoretical insights into photo-induced behaviors associated solvent polarity effects for HDMTP fluorophore: A TDDFT study HDMTP荧光团溶剂极性效应相关的光致行为的理论见解：TDDFT研究
IF 1.5 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2025-07-08 DOI: 10.1002/jccs.70053
Xiangyi Luo, Hongyu Lin, Guoqing Liu
{"title":"Theoretical insights into photo-induced behaviors associated solvent polarity effects for HDMTP fluorophore: A TDDFT study","authors":"Xiangyi Luo,&nbsp;Hongyu Lin,&nbsp;Guoqing Liu","doi":"10.1002/jccs.70053","DOIUrl":"https://doi.org/10.1002/jccs.70053","url":null,"abstract":"<p>In this work, the influence of solvent polarities on the excited-state intramolecular proton transfer (ESIPT) process of 2,2′-((1E,1′ E)-hydrazine-1,2-diylidenebis(methanylylidene))bis(4-(1,2,2-triphenylvinyl)phenol) (HDMTP) is systematically investigated in three solvents of distinct polarities (hexane, tetrahydrofuran, and acetonitrile) through DFT and TDDFT methodologies. We mainly elucidate the excited-state double proton transfer (ESDPT) mechanism in the HDMTP fluorophore. We analyze the geometric configuration, infrared (IR) vibrational spectra, and core-valence bifurcation (CVB) indexes to verify the enhancement of hydrogen bonds in the excited state. Meanwhile, we detect the HOMO and LUMO orbitals to investigate the influence of charge redistribution on the proton transfer process. The PESs are scanned to testify a stepwise ESDPT mechanism for HDMTP systems. We also propose that the decrease of solvent polarity can promote the occurrence of the ESDPT dynamic processes for the HDMTP system based on the calculated potential energy barriers for HDMTP in hexane, tetrahydrofuran, and acetonitrile solvents.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"72 8","pages":"848-855"},"PeriodicalIF":1.5,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144897162","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
首页 上一页 下一页 尾页
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：604180095
Book学术官方微信