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Macrocyclic Skeletal Modification Approach to the Anti-Trypanosomal Macrolides, Actinoallolides 抗锥虫大环内酯类、放线素内酯类的大环骨架修饰方法
IF 4.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Chemical Communications
Pub Date : 2025-06-09 DOI: 10.1039/d5cc01915j
Goh Sennari, Akito Watanabe, Takanori Ono, Jun Oshita, Yoshihiko Noguchi, Tomoyasu Hirose, Toshiaki Sunazuka
Herein, we report the construction of 16-membered macrocycles that were designed for intermediates toward the unifie synthesis of actinoallolides. Key to our synthesis was the use of Mitsunobu macrocyclization, followed by a sequence of Birch reduction and oxidative C–C cleavage to edit the macrocycle.
在此，我们报道了16元大环的构建，这些大环是为统一合成放线菌素内酯的中间体设计的。我们合成的关键是使用Mitsunobu大环化，然后是一系列的Birch还原和氧化C-C裂解来编辑大环。
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引用次数: 0
Ultralow platinum-doped self-supported CoPt alloy nanosheets for efficient overall water splitting. 用于高效整体水分解的超低铂掺杂自支撑CoPt合金纳米片。
IF 4.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Chemical Communications
Pub Date : 2025-06-09 DOI: 10.1039/d5cc02155c
Yatao Yan, Zhi-An Ye, Yongjian Xu, Jingjing Jiang, Rongfang Zhao, Fang Guo, Chunsheng Li, Ming Chen

In this study, CoPt alloy nanosheets (CoPt-R10) were in situ constructed on titanium mesh using electrodeposition and mild reduction methods. CoPt-R10 incorporates ultra-low amounts of Pt (0.42 at%) to modulate the electronic structure of Co, requiring low overpotentials of 210 and 314 mV to achieve 200 mA cm-2 for HER and OER, respectively. CoPt-R10 serves as a bifunctional catalyst for overall water splitting, demonstrating stable operation for 500 hours at 100 mA cm-2.

在本研究中，采用电沉积和轻度还原的方法在钛网上原位构建了CoPt合金纳米片（CoPt- r10）。CoPt-R10加入了超低量的Pt （0.42 at%）来调制Co的电子结构，分别需要210和314 mV的低过电位来实现200 mA cm-2的HER和OER。CoPt-R10作为双功能催化剂，在100毫安厘米-2下稳定运行500小时。
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引用次数: 0
Visible-Light-Driven Decarboxylative C(sp³)-H Alkylation of Glycine Derivatives via in situ formation of NHPl Esters 甘氨酸衍生物原位生成NHPl酯的可见光驱动C（sp³）-H脱羧烷基化反应
IF 4.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Chemical Communications
Pub Date : 2025-06-09 DOI: 10.1039/d5cc02375k
Lan Yang, Yi-Yang Tang, Si-Yu Gao, Penglin Zhang
A visible-light-driven decarboxylative C(sp³)-H alkylation of glycine derivatives via in situ formation of NHPl esters. Using Xantphos/ICH₂CH₂I system as dual activator and catalyst, avoided expensive photocatalysts and transition metals. Under mild conditions establishes a versatile platform for synthesizing unnatural amino acids from readily available alkyl carboxylic acids with high functional group tolerance.
通过原位形成NHPl酯的甘氨酸衍生物的可见光驱动脱羧C（sp³）-H烷基化。采用Xantphos/ICH₂CH₂I体系作为双活化剂和催化剂，避免了昂贵的光催化剂和过渡金属。在温和的条件下，建立了一个通用的平台，从容易获得的具有高官能团耐受性的烷基羧酸合成非天然氨基酸。
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引用次数: 0
Electrochemical Synthesis of PhSe/CF3-containing Dibenzazepines via Radical Cascade Cyclization of Alkynes 炔基级联环化法合成含PhSe/ cf3的二苯二氮卓类化合物
IF 4.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Chemical Communications
Pub Date : 2025-06-09 DOI: 10.1039/d5cc02355f
Xiao Zhang, Lulu Zhao, Yuan-Yuan Liang, Kai Wang, Jinghan Zhang
A green and simple electrochemical method for the synthesis of PhSe/CF3-containing dioxodibenzothiazepines has been developed via radical cascade cyclization of alkynes. This transformation provides a novel approach for the synthesis of 7-membered heterocycles without the addition of any external catalyst or oxidant under mild reaction conditions. Gram scale experiment prove the practicality of this transformation.
采用炔烃自由基级联环化法，建立了一种绿色简便的合成含PhSe/ cf3的二氧二苯并噻唑类化合物的电化学方法。这一转变为在温和反应条件下不需添加任何外部催化剂或氧化剂合成7元杂环化合物提供了一条新途径。克尺度实验证明了该方法的实用性。
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引用次数: 0
Hierarchical ZSM-5 with Tunable Structure and Enhanced Mass Diffusion 具有可调谐结构和增强质量扩散的分级ZSM-5
IF 4.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Chemical Communications
Pub Date : 2025-06-09 DOI: 10.1039/d5cc02883c
Xuan Wu, Bo-Jun Zeng, Si-Ming Wu, Lu Wu, Liang Mao, Yi-Tian Wang, Fengjuan Wu, Ge Tian, Liying Wang, Gang-Gang Chang, Christoph Janiak, Xiao-Yu Yang
Hierarchical zeolites offer improved mass transfer and catalytic performance, yet controlled synthesis remains challenging. We report a one-pot synthesis of size-tunable, rod-shaped aligned ZSM-5 (RA-ZSM-5) using tetraethylammonium and tetrabutylammonium hydroxides. The crystallization mechanism and improved mass diffusion associated with the hierarchical structure are elucidated.
分级沸石提供了更好的传质和催化性能，但控制合成仍然具有挑战性。我们报道了一锅合成的大小可调，棒状排列ZSM-5 （RA-ZSM-5）使用四乙基铵和四丁基铵氢氧化物。阐明了结晶机理和与分层结构有关的质量扩散的改善。
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引用次数: 0
Tuning the electronic structure of a rod-like DNA-stabilized silver nanocluster Ag28Cl2 for photophysics in the NIR-II window 调整棒状dna稳定银纳米团簇Ag28Cl2在NIR-II窗口中的光物理电子结构
IF 4.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Chemical Communications
Pub Date : 2025-06-09 DOI: 10.1039/d5cc02127h
Hannu Hakkinen, Sami Malola
Density functional theory (DFT) calculations are used to analyse the electronic structure and optical absorption of an DNA-stabilized rod-like Ag28Cl2 nanocluster that was recently identified from experiments [Small Struct. 2025, 2500022]. The results show that the position and shape of the first absorption band depends dramatically on the total number of delocalized metal electrons in the silver core, varying from a well-defined peak around 755 nm to a broad band between 1100 – 1400 nm by change of only four electrons. The photophysics can be straightforwadly explained by analysing the frontier orbitals that show particle-in-a-box character. This predicted sensitivity of the photophysical properties to the oxidation state is relevant for considering the performance of DNA-stabilized silver clusters in NIR-II biological imaging.
密度泛函理论（DFT）计算用于分析最近从实验中发现的dna稳定棒状Ag28Cl2纳米团簇的电子结构和光学吸收[Small Struct. 2025, 2500022]。结果表明，第一吸收带的位置和形状很大程度上取决于银核中离域金属电子的总数，从755 nm左右的一个明确的峰值到1100 ~ 1400 nm之间的一个宽频带，只有四个电子的变化。光物理可以通过分析显示盒中粒子特征的前沿轨道来直接解释。这种预测的光物理性质对氧化态的敏感性与考虑dna稳定银簇在NIR-II生物成像中的性能有关。
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引用次数: 0
Metallic and semiconductor nanomaterials for surface-enhanced Raman spectroscopy 表面增强拉曼光谱的金属和半导体纳米材料
IF 4.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Chemical Communications
Pub Date : 2025-06-07 DOI: 10.1039/d5cc02022k
Ning Zhao, Yongcheng Jin, Guanyu Chen, Aonan Zhu, Yuying Zhang, Wei Xie
Surface-enhanced Raman spectroscopy (SERS) is a powerful spectroscopic tool with exceptional trace detection sensitivity, offering broad applications in physics, chemistry, materials science, and life sciences. The intensity of SERS is closely tied to the localized surface plasmon resonance (LSPR) of the substrate material and charge transfer between molecules and the substrate. Therefore, designing nanoscale structures of substrate materials is crucial for advancing SERS technology. This review highlights recent research on metallic, semiconductor and plasmonic metal–semiconductor SERS substrate nanomaterials. Studies on metallic SERS substrates primarily aims to enhance signal strength and expand application scope through nanoscale structural adjustments, while research on semiconductor SERS substrates emphasizes morphology and defect tuning to increase application potential. Finally, we discuss forthcoming challenges and emerging trends in SERS. We hope this review offers theoretical guidance for researchers in SERS substrate design and encourages further exploration of SERS enhancement mechanisms and applications.
表面增强拉曼光谱（SERS）是一种功能强大的光谱工具，具有卓越的痕量检测灵敏度，在物理，化学，材料科学和生命科学中提供广泛的应用。SERS的强度与衬底材料的局部表面等离子体共振（LSPR）以及分子与衬底之间的电荷转移密切相关。因此，设计衬底材料的纳米级结构对于推进SERS技术至关重要。本文综述了金属、半导体和等离子体金属-半导体SERS衬底纳米材料的最新研究进展。金属SERS基板的研究主要是通过纳米尺度的结构调整来增强信号强度和扩大应用范围，而半导体SERS基板的研究则强调形貌和缺陷调谐以增加应用潜力。最后，我们讨论了SERS即将面临的挑战和新兴趋势。我们希望这一综述能够为SERS衬底设计的研究人员提供理论指导，并鼓励进一步探索SERS增强机制和应用。
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引用次数: 0
Surface wettability engineering of MoS2 quantum dot-decorated NiCo2O4 nanospheres for enhanced oxygen evolution reaction. 用于增强析氧反应的MoS2量子点修饰NiCo2O4纳米球表面润湿性工程。
IF 4.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Chemical Communications
Pub Date : 2025-06-06 DOI: 10.1039/d5cc02615f
Xu Yue, Hongyan Wu, Yong Zhang, Bin Xue, Yuqiao Wang

Modulating MoS2 quantum dots enhances the hydrophilicity of NiCo2O4, accelerates bubble detachment, promotes mass transfer, and consequently enhances catalytic activity. The optimized catalyst achieves a low overpotential of 272 mV at 10 mA cm-2 and a Tafel slope of 76.3 mV dec-1 in 1.0 mol L-1 KOH.

调制MoS2量子点可增强NiCo2O4的亲水性，加速气泡脱离，促进传质，从而提高催化活性。优化后的催化剂在10 mA cm-2下的过电位为272 mV，在1.0 mol L-1 KOH下的Tafel斜率为76.3 mV dec1。
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引用次数: 0
Müller versus Gutmann-Beckett for Assessing the Lewis Acidity of Boranes m<s:1> ller与Gutmann-Beckett对硼烷刘易斯酸度的评价
IF 4.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Chemical Communications
Pub Date : 2025-06-06 DOI: 10.1039/d5cc02299a
Sameera Ranasinghe, Yijie Li, Madison E. Andrews, Manjur O. Akram, Ragene Thornton, Caleb Daniel Martin
A 19F NMR spectroscopic probe, p-fluorobenzonitrile, is used to evaluate the relative Lewis acidity of boranes. The resulting scale is compared with the Gutmann-Beckett method which uses triethylphosphine oxide as a 31P NMR probe and both are compared to computed fluoride affinities.
采用19F核磁共振探针对氟苯腈测定硼烷的相对路易斯酸度。将所得尺度与Gutmann-Beckett方法（使用三乙基膦氧化物作为31P核磁共振探针）进行比较，并将两者与计算的氟化物亲和度进行比较。
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引用次数: 0
Design of CO2-philic molecular units with large language models 基于大语言模型的亲二氧化碳分子单元设计
IF 4.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Chemical Communications
Pub Date : 2025-06-06 DOI: 10.1039/d5cc02652k
Konstantinos D. Vogiatzis
The integration of large language models (LLMs) into chemical sciences presents a transformative approach for molecular design. In this study, we explore the capabilities of LLMs for generating novel molecular structures with enhanced CO2 affinity for the development of novel physisorption-based carbon capture technologies. By integrating LLM-generated candidates with DFT-based evaluation, we identified promising physisorption agents and highlighted the synergy between AI and expert-guided chemical research. Notably, LLM-generated structures showcased emergent design strategies, such as cooperative binding motifs, that aligned with domain knowledge and experimental precedent.
将大型语言模型（LLMs）整合到化学科学中，为分子设计提供了一种变革性的方法。在本研究中，我们探索了llm生成具有增强CO2亲和力的新型分子结构的能力，以开发新的基于物理吸附的碳捕获技术。通过将法学硕士生成的候选材料与基于dft的评估相结合，我们确定了有前途的物理吸附剂，并强调了人工智能与专家指导的化学研究之间的协同作用。值得注意的是，法学硕士生成的结构展示了紧急设计策略，例如与领域知识和实验先例相一致的合作绑定基序。
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