{"title":"Machine learning in photocatalysis: accelerating design, understanding, and environmental applications","authors":"Siqing Tunala, Shaochong Zhai, Fangcao Wu, Yi-Hung Chen","doi":"10.1007/s11426-024-2656-6","DOIUrl":"10.1007/s11426-024-2656-6","url":null,"abstract":"<div><p>Photocatalysis is a transformative strategy with wide applications in environmental remediation, energy conversion, and chemical synthesis. However, optimizing photocatalysts is challenging due to the complex interplay of factors like material composition, light absorption, and surface reactivity. Traditional trial-and-error approaches are time-consuming and resourceintensive, often requiring extensive experimentation under varied conditions. Machine learning (ML) has recently emerged as a powerful tool to accelerate photocatalyst discovery and optimization. By analyzing large datasets, ML algorithms can predict material properties, identify optimal reaction conditions, and reduce the need for exhaustive experimentation. This data-driven approach enables faster exploration of complex chemical spaces and reaction environments. This review focuses on recent advancements in integrating ML into photocatalysis, emphasizing its role in catalyst design and environmental applications. It also addresses key challenges such as data quality and model interpretability while highlighting future research directions to fully harness the potential of ML in photocatalytic systems.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":772,"journal":{"name":"Science China Chemistry","volume":"68 8","pages":"3415 - 3428"},"PeriodicalIF":9.7,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145169064","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Circular 3D photo-printing: the future of sustainable additive manufacturing","authors":"Da-Hui Qu, He Tian","doi":"10.1007/s11426-025-2749-0","DOIUrl":"10.1007/s11426-025-2749-0","url":null,"abstract":"","PeriodicalId":772,"journal":{"name":"Science China Chemistry","volume":"68 8","pages":"3340 - 3341"},"PeriodicalIF":9.7,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145168723","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Linan Wu, Shujing Xu, Yang Zhou, Dazhou Shi, Mei Wang, Meehyein Kim, Peng Zhan
{"title":"Harnessing molecular proximity for antiviral innovations: advances in proximity-inducing modalities against viral infections","authors":"Linan Wu, Shujing Xu, Yang Zhou, Dazhou Shi, Mei Wang, Meehyein Kim, Peng Zhan","doi":"10.1007/s11426-025-2658-0","DOIUrl":"10.1007/s11426-025-2658-0","url":null,"abstract":"<div><p>The burgeoning field of proximity-inducing modalities has revolutionized antiviral agent development by harnessing the power of molecular proximity to regulate protein-protein or protein-RNA interactions. This review delves into the innovative strategies and breakthroughs in designing antiviral compounds that leverage induced spatial association, a concept with profound implications for both therapeutic applications and fundamental research. We highlight the role of bifunctional molecules in modulating cellular processes to combat viral infections, underscoring their potential within the proximity induction framework. The review encompasses a comprehensive analysis of current applications and future prospects of proximity-inducing molecules in antiviral research, emphasizing their promise for advancing antiviral therapies and infection control strategies.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":772,"journal":{"name":"Science China Chemistry","volume":"68 10","pages":"4677 - 4692"},"PeriodicalIF":9.7,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284430","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Efficient iodine adsorption from seawater by simple macrocycle and mechanistic insights","authors":"Baoqi Wu, Rongzhi Tang, Yuan Liu, Zhi-Wei Li, Feng Lin, Zongyu Sun, Yuzhe Pi, Gangfeng Ouyang, Yu Tan","doi":"10.1007/s11426-025-2668-9","DOIUrl":"10.1007/s11426-025-2668-9","url":null,"abstract":"<div><p>The challenge of iodine capture in seawater is accentuated by the existence of competing species and material stability in the seawater environment. Here, we present a 3,3′-bipyridinium-based cyclophane with an inherently rigid cavity for the effective adsorption of iodine from artificial and natural seawater. This macrocycle demonstrates superior iodine adsorption capacity and reusability compared to 4,4′-bipyridinium-based cyclophane, with notably enhanced efficiencies in seawater relative to pure water. Remarkably, static adsorption in natural seawater achieved a record-high iodine uptake of 10.4 g g<sup>−1</sup>, while dynamic experiments revealed iodine removal efficiency exceeding 99%. Substantial density functional theory (DFT) calculations and controlled experiments revealed that halogen ions (X<sup>−</sup>) and ionic concentrations critically influence adsorption performance through the formation of different [I<sub>2<i>n</i></sub>X]<sup>−</sup> complexes, which modulate adsorption energies. X-ray crystallography of iodineloaded cyclophanes indicated that efficient iodine capture arises from multiple noncovalent interactions and the macrocycle’s loosely packed structure. This study highlights a promising strategy for designing efficient and practical iodine adsorbents for real-world applications.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":772,"journal":{"name":"Science China Chemistry","volume":"68 10","pages":"4929 - 4939"},"PeriodicalIF":9.7,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284432","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yu-Jing Gao, Ren-He Zhou, Jing Li, Lu-Lu Hao, Hai-Lang Zhu, Liang Zhao, Yin-Shan Meng, Tao Liu
{"title":"Manipulating metal-to-metal electron transfer of cyano-bridged {W2Co3} assemblies toward photo-switchable 2D molecular magnets","authors":"Yu-Jing Gao, Ren-He Zhou, Jing Li, Lu-Lu Hao, Hai-Lang Zhu, Liang Zhao, Yin-Shan Meng, Tao Liu","doi":"10.1007/s11426-025-2675-4","DOIUrl":"10.1007/s11426-025-2675-4","url":null,"abstract":"<div><p>Photo-switchable molecular magnets are promising in the applications of molecular spintronics, memory and switching devices. Introducing photo-responsive metal-to-metal electron transfer units into the molecular magnets provides a feasible means of controlling the magnetic and related physical properties. Here, we assembled the redox-active octacyanotungstate building block [W<sup>V</sup>(CN)<sub>8</sub>]<sup>5-</sup> with Co<sup>II</sup> ion to obtain the metal-to-metal electron transfer (MMET) molecular magnets. Four structure-related two-dimensional (2D) compounds <b>1–4</b> derived from [W(CN)<sub>8</sub>]<sub>2</sub>[Co<sub>3</sub>(L)<sub>12</sub>]·solv (L = 1-phenylimidazole) were constructed by modifying phenylimidazole ligands with substituent R at the <i>para</i> position of the aromatic ring (R = CN (L1), NO<sub>2</sub> (L2), F (L3) and Cl (L4)). Structural analysis indicated that <b>1–4</b> underwent a thermal-induced single-crystal to single-crystal (SCSC) phase transition to the desolvated <b>1a–4a</b>, accompanied by the MMET from (Co<sup>III</sup><sub>LS</sub>)<sub>2</sub>-W<sup>IV</sup><sub>2</sub>-Co<sup>II</sup><sub>HS</sub> (LS: low-spin) phase to (Co<sup>II</sup><sub>HS</sub>)<sub>2</sub>- W<sup>V</sup><sub>2</sub>-Co<sup>II</sup><sub>HS</sub> (<b>HS</b>: high-spin) phase. <b>1a–4a</b> also exhibited incomplete (Co<sup>II</sup><sub>HS</sub>)<sub>2</sub>-W<sup>V</sup> <sub>2</sub>-Co<sup>II</sup><sub>HS</sub> (<b>HS</b>) phase ⇆ (Co<sup>III</sup><sub>LS</sub>)<sub>2</sub>-W<sub>IV</sub><sub>2</sub>-Co<sup>II</sup><sub>HS</sub> (<b>LS</b>) phase transition with thermal hysteresis loops. Photomagnetic characterizations revealed that <b>1–4</b> and <b>1a–4a</b> exhibited a reversible light-induced interconversion between the HS* (*: metastable phase generated by light irradiation) state and LS* state. Moreover, for <b>1</b>, <b>1a</b> and <b>2</b>, their magnetic hysteresis can be reversibly produced and eliminated by alternating the 946- and 671-nm light irradiations, respectively, showing the photo-switchable molecular magnet behavior. The compared magnetostructural analysis indicated that the intermolecular π\t…π stacking interactions between modified phenylimidazole ligands can be modulated by the different electronic and steric hindrance effects of substituents, which regulate the distortion degree of the CoN<sub>6</sub> octahedron and ligand field around the cobalt ions. The anomalous increase of octahedral distortion parameter Σ<sub>Co</sub>, which increases as the interlayer π…π interaction weakens, not only affects the transition temperature, but also plays an important role in stabilizing the photoexcited metastable state. This study demonstrates the feasibility of regulating intermolecular interactions through molecular engineering strategy in developing photo-responsive molecular magnetic materials with enhanced photo operating temperatures, and may offer new insights for advancing the construction of photo-swit","PeriodicalId":772,"journal":{"name":"Science China Chemistry","volume":"68 10","pages":"4810 - 4819"},"PeriodicalIF":9.7,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284431","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Fluorinated gel polymer electrolytes for high performance lithium metal batteries: a mechanism analysis and systematic review","authors":"Ronggen Zhang, Chenyu Li, Bingbing Yang, Ruien Cao, Yuzhi Chen, Xinjia Zhou, Shujiang Ding, Wei Yu","doi":"10.1007/s11426-025-2593-1","DOIUrl":"10.1007/s11426-025-2593-1","url":null,"abstract":"<div><p>Gel polymer electrolytes (GPEs) have shown great potential to improve the safety and performance of lithium metal batteries (LMBs), offering benefits such as improved mechanical properties, uniform lithium deposition, suppression of dendrite growth, and minimized electrolyte leakage. Nonetheless, several challenges persist, including the solid electrolyte interphase (SEI) instability, suboptimal ionic conductivity, inherent flammability, and an inability to operate at high voltage, significantly hindering their long-term stability and capacity retention. Given fluorine atoms’ small atomic radius and high electronegativity, fluorinated gel electrolytes (FGPEs) offer distinct advantages in mitigating these challenges. This review systematically examines the role of fluorine in enhancing the performance of GPEs, with particular emphasis on fluorine’s role in improving the SEI composition in GPEs. Additionally, the review elucidates the mechanism of thermal runaway in LMBs and investigates fluorine’s contribution to enhancing the flame retardancy of these batteries. The article also details the role of fluorinated components in facilitating lithium-ion transport and evaluates the suitability of fluorinated gel polymer electrolytes for high-voltage applications. Finally, the review elaborates on design strategies for advancing FGPEs and underscores their potential to address critical challenges in lithium metal battery technology.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":772,"journal":{"name":"Science China Chemistry","volume":"68 10","pages":"4712 - 4732"},"PeriodicalIF":9.7,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284400","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}