中国科技期刊卓越行动计划推介：Chin. J. Struct. Chem. 2025年第5期

摘要：本期封面文章中，中国科学院福建物质结构研究所韩丽丽研究员等人开发了一种基于深度学习和数学方法的原子分辨图像降噪和化学识别的工作流程。通过构建的工作流程，作者实现了高精度的YCe双原子催化位点的定位和元素识别，以及Fe掺杂ReSe2纳米片上的三种原子位点 (Re

封面文章

中国科学院福建物质结构研究所韩丽丽研究员等人——Deep Learning-Based Workflow for Atomic Image Denoising and Chemical Identification

本期封面文章中，中国科学院福建物质结构研究所韩丽丽研究员等人开发了一种基于深度学习和数学方法的原子分辨图像降噪和化学识别的工作流程。通过构建的工作流程，作者实现了高精度的YCe双原子催化位点的定位和元素识别，以及Fe掺杂ReSe2纳米片上的三种原子位点 (Re、Fe对Re的替代原子以及Fe对Re的吸附原子) 的准确识别。这种工作流程形式有望显著提高原子分辨率ADF-STEM图像中化学鉴定的准确性和效率。

News & Views

Level-shifted embedded cluster method may offer a viable alternative for the simulation of metal oxides

Zi-Jian Zhou, and Xin-Ping Wu*

Chin. J. Struct. Chem., 2025, 44(5), 100471

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News & Views

A hybrid azolate framework for record propylene/propane sieving separation

Yiwen Yuan, Lingyao Wang, and Yuanbin Zhang*

Chin. J. Struct. Chem., 2025, 44(5), 100510

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News & Views

Supramolecular catenation enables high-capacity hydrogen storage

Wenqi Wang, Liuliu Long, and Yue-Biao Zhang*

Chin. J. Struct. Chem., 2025, 44(5), 100512

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News & Views

Construction of zeolite loaded ultra-small Ni nanoparticle catalysts

Linlin Duan, and Zaiwang Zhao*

Chin. J. Struct. Chem., 2025, 44(5), 100516

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News & Views

MOF-driven interaction engineering in solid polymer electrolytes for durable lithium metal batteries

Liyang Liu, De-Xiang Zhang*, and Tian Wen*

Chin. J. Struct. Chem., 2025, 44(5), 100517

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Highlights

Rational synthesis of highly porous covalent organic frameworks for high-performance methane storage

Yuanlong Zhong, Hancheng Shi, and Zhijie Chen*

Chin. J. Struct. Chem., 2025, 44(5), 100514

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Short Communication

Confined proton transport in water-containing layered manganese oxide electrodes

Wenwei Cai, Feng Pan*, and Shunning Li*

Chin. J. Struct. Chem., 2025, 44(5), 100528

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Article

Tuning the eg* band broadening of the in-situ NiOOH by W doping for efficient biomass electrooxidation

Jinlv Wei, Jianlong Zhang, Huan Wen, Zhixiang Zhai, Fangyuan Guan, Zelong Sun, Jia Wu*, and Shibin Yin*

Chin. J. Struct. Chem., 2025, 44(5), 100541

☑ In this work, W doping induces the structural distortion of the in situ formed NiOOH generated by reconstruction, effectively modulating its electronic states near the Fermi level, resulting in the broadening of the eg∗ band, which promotes electron transfer between the catalyst and HMF as well as the adsorption of HMF, significantly enhancing the activity of HMFOR.

☑钨掺杂引发由重构作用原位生成的氢氧化氧镍结构畸变，有效调节其在费米能级附近的电子态，导致eg*能带展宽。这促进了催化剂与HMF之间的电子转移以及对HMF的吸附，显著提高了HMFOR的活性。

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Article

Effect of thermal annealing on cold crystallization ability of thermoset polyurethane elastomer synthesized from fully bio-derived polyol

Jaeheon Lee, and Jung Hyeun Kim*

Chin. J. Struct. Chem., 2025, 44(5), 100568

☑ A thermal learning mechanism is developed to restore normal crystallization. This method can modify thermal behavior of polyurethane elastomers including the crystallization rate and degree of crystallization.

☑本研究开发了一种热学习机制来恢复正常结晶，它可以改变聚氨酯弹性体的热行为，包括结晶速率和结晶程度。

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Article

Improved photocatalytic activity of SrBi2Nb2O9 for the degradation of ciprofloxacin hydrochloride via piezoelectric-enhanced charge transfer

Shanshan Yan, Sihai Sun, Zhiwu Chen*, and Xin Wang

Chin. J. Struct. Chem., 2025, 44(5), 100569

☑ The 2D structure endows SrBi2Nb2O9 nanosheets with strong mechanical energy harvesting capabilities, which enables them to exhibit more significant piezo-photocatalytic activity than granular SrBi2Nb2O9 for the degradation of ciprofloxacin hydrochloride.

☑二维结构赋予SrBi₂Nb₂O₉纳米片强大的机械能收集能力，使得它们在降解盐酸环丙沙星方面比颗粒状展现出更为显著的压电光催化活性。

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Article

Highly dispersed Ni–O site on Ni catalysts for efficient and durable light-driven dry reforming of CH4 at ambient conditions

Xia Gao, Shuaikang Sang, Enquan Zhu, Lihua Cai, Chang Liu, Ferdi Karadas, Chao Zhang*, Jingxiang Low*, and Yujie Xiong*

Chin. J. Struct. Chem., 2025, 44(5), 100570

☑ The highly stable Ni/CeOx catalyst was synthesized using a polyol-mediated doping method, leading to the formation of atomically dispersed Ni–O sites which endow exceptional DRM performance .

☑ 采用多元醇介导掺杂法合成高稳定性Ni/CeOx催化剂，形成原子级分散的镍-氧活性位点，从而赋予催化剂卓越的干重整性能。

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Article

CuMoRuFeW high entropy alloy surfaced nanorods: Superior electrochemical CO2 reduction to ethylene

Jundi Qin, Dezhong Hu, Dong Xiang*, and Xiongwu Kang*

Chin. J. Struct. Chem., 2025, 44(5), 100571

☑ The CuMoRuFeW HEA catalyst enhances CO2 activation and improves selectivity for C2 product formation by overcoming the limitations of linear scaling relationships, achieving a FE of 69.9% for C2 products. The combination of active sites reduces the energy barrier, thereby enhancing the CO2ER efficiency.

☑CuMoRuFeW高熵合金催化剂通过克服线性标度关系的限制，增强CO2的活化能力并提高生成C₂产物的选择性，实现了C₂产物69.9%的法拉第效率。活性位点的协同作用降低了反应能垒，从而提高了CO2电还原反应的效率。

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Article

Deep learning-based workflow for atomic image denoising and chemical identification

Ke Ma, Shiqiang Feng, Haihui Hu, Yimeng Cai, Dechao Chen, and Lili Han*

Chin. J. Struct. Chem., 2025, 44(5), 100572

☑ A deep learning-based workflow is developed, which uses generative adversarial networks for image denoising and mathematical algorithms or UNet networks for chemical identification.

☑ 本文开发了一种基于深度学习的工作流程，使用生成对抗网络进行图像去噪，并运用数学算法或UNet网络进行化学识别。

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Article

Volatolomics-based quality identification of Lycium barbarum using cMOF thin film chemiresistors

Lin-An Cao*, Yi-Qian Li, Lu Sun, Sai Chu, Yun-Fei Huo, Xiao-Qin Li, Jia-Hui Guo, Fang-Li Yuan, Kenichi Otake, Dai-Lian Wang*, and Ming-Shui Yao*

Chin. J. Struct. Chem., 2025, 44(5), 100573

☑ Sulfur-fumigation harms Lycium barbarum and health, but the current SF-Lb detection is complex. In this study a chemiresistor with Cu3(HHTP)2 thin film is used to quickly distinguish SF-Lb from Lb with an accuracy of ∼100% based on their differences in volatolomics.

☑ 硫磺熏蒸会损害枸杞的品质并危害健康，然而目前对于硫磺熏蒸枸杞 (SF-Lb) 的检测方法较为复杂。作者使用Cu3(HHTP)2薄膜的化学电阻器来快速鉴别SF-Lb和Lb，基于它们在挥发组学上的差异，准确率接近100%。

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Review

Recent advances in anion exchange membranes

Gao Jiachen, Hailong Zhang, Xue Zhao*, Yafu Wang, Houen Zhu, Xiangyi Kong,Yan Liang, Ting Ou, Rui Ren, Yulan Gu, Yanyong Su, and Jiangwei Zhang*

Chin. J. Struct. Chem., 2025, 44(5), 100563

☑ This review summarizes the research progress of anion exchange membranes in preparation methods, material innovation and performance improvement in recent years, and the research status of the materials.

☑ 本综述总结了近年来阴离子交换膜在制备方法、材料创新和性能改进方面的研究进展，以及该材料的研究现状。

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