Coordination Chemistry Reviews最新文献

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Prussian blue analogues and their derivatives for electrochemical energy conversion 电化学能量转换用普鲁士蓝类似物及其衍生物
IF 23.5 1区 化学
Coordination Chemistry Reviews Pub Date : 2025-10-09 DOI: 10.1016/j.ccr.2025.217215
Jingwen Xiang , Shu Jiang , Guangxun Zhang , SiYu Gao , Ke Wu , Mohsen Shakouri , Huan Pang
{"title":"Prussian blue analogues and their derivatives for electrochemical energy conversion","authors":"Jingwen Xiang ,&nbsp;Shu Jiang ,&nbsp;Guangxun Zhang ,&nbsp;SiYu Gao ,&nbsp;Ke Wu ,&nbsp;Mohsen Shakouri ,&nbsp;Huan Pang","doi":"10.1016/j.ccr.2025.217215","DOIUrl":"10.1016/j.ccr.2025.217215","url":null,"abstract":"<div><div>As a class of structurally tunable porous materials, Prussian blue analogs (PBAs) have attracted increasing interest in electrocatalysis due to their tunable structures, abundant active sites, and robust chemical stability. Nevertheless, their inherently low conductivity and limited utilization of catalytic sites continue to impede their large-scale practical applications. This review comprehensively summarizes recent advances in structural engineering strategies designed to enhance the electrocatalytic performance of PBAs, including heteroatom doping, composite architecture construction, and nanoscale design. Particular emphasis is placed on elucidating the intrinsic relationship between structural modifications and catalytic activity. Furthermore, the underlying mechanisms and performance enhancement strategies of various PBA-based materials are systematically discussed across key electrocatalytic processes, including the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR), and carbon dioxide reduction reaction (CO<sub>2</sub>RR). Finally, the review highlights the potential of structure optimization in driving the development of PBAs for green energy conversion and storage applications.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"548 ","pages":"Article 217215"},"PeriodicalIF":23.5,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247373","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}
引用次数: 0
Carbon dot-based nanohybrids for tumor microenvironment-activated cancer theranostics 碳点纳米杂化物用于肿瘤微环境激活的癌症治疗
IF 23.5 1区 化学
Coordination Chemistry Reviews Pub Date : 2025-10-08 DOI: 10.1016/j.ccr.2025.217236
Wubshet Mekonnen Girma , Shewaye Lakew Mekuria , Gangaraju Gedda , Xiangyang Shi , Yoo-Jin Park , Myung-Geol Pang
{"title":"Carbon dot-based nanohybrids for tumor microenvironment-activated cancer theranostics","authors":"Wubshet Mekonnen Girma ,&nbsp;Shewaye Lakew Mekuria ,&nbsp;Gangaraju Gedda ,&nbsp;Xiangyang Shi ,&nbsp;Yoo-Jin Park ,&nbsp;Myung-Geol Pang","doi":"10.1016/j.ccr.2025.217236","DOIUrl":"10.1016/j.ccr.2025.217236","url":null,"abstract":"<div><div>The complex tumor microenvironment and tumor self-protection limit the efficacy of anticancer drugs, impeding clinical translation. Designing intelligent nanomedicines that integrate diagnosis and therapy is pivotal for advancing cancer treatment. Carbon dots (CDs), with tunable fluorescence and versatile surface chemistry, have been used in diagnosis and therapy. These properties enable CD-based nanohybrids to deliver precise, image-guided tumor therapy. This review summarizes the history of CDs, the construction of CD-based nanohybrids, and their applications in tumor microenvironment–activated, image-guided cooperative tumor therapies. Finally, we discuss future research directions and clinical translation challenges. We aim to inform the rational design of CD-based nanohybrids for precise tumor treatment.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"548 ","pages":"Article 217236"},"PeriodicalIF":23.5,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247370","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}
引用次数: 0
Advances in the general design of high-performance metal phthalocyanine-based catalysts 高性能金属酞菁基催化剂总体设计研究进展
IF 23.5 1区 化学
Coordination Chemistry Reviews Pub Date : 2025-10-08 DOI: 10.1016/j.ccr.2025.217233
Yunze Wang, Yuan Pan, Xiansheng Zhang, Shanqing Tang, Xinyi Huang, Teng Li, Ruilin Cao, Jin Zeng, Xiuyu Duan, Zhifeng Liu
{"title":"Advances in the general design of high-performance metal phthalocyanine-based catalysts","authors":"Yunze Wang,&nbsp;Yuan Pan,&nbsp;Xiansheng Zhang,&nbsp;Shanqing Tang,&nbsp;Xinyi Huang,&nbsp;Teng Li,&nbsp;Ruilin Cao,&nbsp;Jin Zeng,&nbsp;Xiuyu Duan,&nbsp;Zhifeng Liu","doi":"10.1016/j.ccr.2025.217233","DOIUrl":"10.1016/j.ccr.2025.217233","url":null,"abstract":"<div><div>The development of high-performance catalysts is critical for achieving a sustainable future. Metal phthalocyanines (MPcs), molecular catalysts with well-defined M–N<sub>4</sub> coordination, exhibit unparalleled advantages in atomic precision, structural tunability, and compatibility with renewable energy-driven processes. Significant research efforts have been dedicated to enhancing the performance of MPc-based catalysts to meet the demands of diverse and complex reaction conditions. Therefore, in order to promote the development of MPc-based catalysts, a systematic and in-depth summary of the existing modification strategies is necessary. In this review, we systematically summarize and discuss the modulation mechanisms of MPc-based catalyst performance through selecting metal centers, support effects, dimensionality regulation, coordination microenvironment engineering, and co-catalysis, with a focused analysis on <!--> <!-->structure-performance relationships and the underlying theoretical principles. Subsequently, we outline the research progress of these modulation strategies in various reaction processes, including carbon dioxide reduction, oxygen reduction reaction, nitrogen species reduction, water splitting, and water environmental remediation. Finally, the future opportunities and challenges of MPc-based catalysts are discussed. This review will be of great significance for the design and application of efficient MPc-based catalysts.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"548 ","pages":"Article 217233"},"PeriodicalIF":23.5,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247371","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}
引用次数: 0
Advanced strategies for decontamination of heavy metal complexes from wastewater: Bridging efficient removal to resource recovery 污水中重金属络合物净化的先进策略:有效去除与资源回收的桥梁
IF 23.5 1区 化学
Coordination Chemistry Reviews Pub Date : 2025-10-08 DOI: 10.1016/j.ccr.2025.217238
Lun Lu , Jiujing Xu , Cheng Chen , Renlan Liu , Chenyu Yang , Liangzhong Li , Haoran Yuan , Liguo Shen , Hongjun Lin
{"title":"Advanced strategies for decontamination of heavy metal complexes from wastewater: Bridging efficient removal to resource recovery","authors":"Lun Lu ,&nbsp;Jiujing Xu ,&nbsp;Cheng Chen ,&nbsp;Renlan Liu ,&nbsp;Chenyu Yang ,&nbsp;Liangzhong Li ,&nbsp;Haoran Yuan ,&nbsp;Liguo Shen ,&nbsp;Hongjun Lin","doi":"10.1016/j.ccr.2025.217238","DOIUrl":"10.1016/j.ccr.2025.217238","url":null,"abstract":"<div><div>The effective removal of heavy metal complexes (HMCs) remains a critical and challenging issue due to their stable molecular structures, inherent mobility, and high ecotoxicity. A comprehensive understanding of the underlying mechanisms, advantages, and limitations of various strategies for HMC decomplexation and resource recovery from wastewater is crucial, yet remains insufficient. This review first examines the sources and environmental risks of HMCs, followed by an analysis of their coordination structure stability and reactivity. Subsequently, various decontamination strategies are reviewed, encompassing both non-decomplexation and decomplexation techniques (oxidative and reductive), with an emphasis on their mechanisms and comparative strengths and weaknesses. Then, the transformation and fate of heavy metal ions and organic ligands after decomplexation, which are crucial for resource recovery, are discussed. Besides, the current pilot/full-scale trials for HMCs decontamination are also investigated. Finally, prospective research directions for next-generation HMCs decontamination technologies are proposed, providing conceptual frameworks to guide the development of more energy-efficient, integrated approaches aimed at effective removal and resource recovery of HMCs from wastewater.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"548 ","pages":"Article 217238"},"PeriodicalIF":23.5,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241334","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}
引用次数: 0
Nonaqueous electrochemistry of prussian blue analogs: Synthesis, fundamental studies, and applications in battery chemistry 普鲁士蓝类似物的非水电化学:合成、基础研究及在电池化学中的应用
IF 23.5 1区 化学
Coordination Chemistry Reviews Pub Date : 2025-10-08 DOI: 10.1016/j.ccr.2025.217219
Kelsie J. Tuggle, Emma E. Lane, Alexander H. Ellis, Ryan S. Arnold, William D. McDearmon, Haleigh M. Grace, Brendon J. McNicholas
{"title":"Nonaqueous electrochemistry of prussian blue analogs: Synthesis, fundamental studies, and applications in battery chemistry","authors":"Kelsie J. Tuggle,&nbsp;Emma E. Lane,&nbsp;Alexander H. Ellis,&nbsp;Ryan S. Arnold,&nbsp;William D. McDearmon,&nbsp;Haleigh M. Grace,&nbsp;Brendon J. McNicholas","doi":"10.1016/j.ccr.2025.217219","DOIUrl":"10.1016/j.ccr.2025.217219","url":null,"abstract":"<div><div>Prussian blue analogs (PBAs) are metal-inorganic frameworks that are ubiquitous in electrochemical sensing, electrocatalysis, and most recently in the spotlight, energy storage and conversion for alternative battery systems. This review compiles a comprehensive summary of PBA nonaqueous synthesis, their employment as cathodes and anodes in PBA-based alkali, alkaline earth, Group 13, and late transition metal batteries, and unique to this article, a chronological account of the fundamental nonaqueous electrochemical characterization of PBAs, much of which precedes the research on PBAs as electrodes for secondary battery technology. While Li-based systems are included for PBA anodes due to a dearth of anode studies, we omit Li-based cathodes to focus on technologies moving cathode architectures away from Li-ion usage. In addition to a comprehensive summary of fundamentals and battery applications, we provide key takeaways that hopefully assist this field in further evolution.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"548 ","pages":"Article 217219"},"PeriodicalIF":23.5,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241337","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}
引用次数: 0
Gold nanoparticles–polyoxometalates composites: a comprehensive overview from synthesis and characterization to applications 金纳米颗粒-多金属氧酸盐复合材料:从合成和表征到应用的全面概述
IF 23.5 1区 化学
Coordination Chemistry Reviews Pub Date : 2025-10-08 DOI: 10.1016/j.ccr.2025.217226
Ioanna Christodoulou , Anne Vallée , Lola Blayac , Bénédicte Malemo , Maya Jeleff , Souhir Boujday , Pierre Mialane , Anne Dolbecq
{"title":"Gold nanoparticles–polyoxometalates composites: a comprehensive overview from synthesis and characterization to applications","authors":"Ioanna Christodoulou ,&nbsp;Anne Vallée ,&nbsp;Lola Blayac ,&nbsp;Bénédicte Malemo ,&nbsp;Maya Jeleff ,&nbsp;Souhir Boujday ,&nbsp;Pierre Mialane ,&nbsp;Anne Dolbecq","doi":"10.1016/j.ccr.2025.217226","DOIUrl":"10.1016/j.ccr.2025.217226","url":null,"abstract":"<div><div>Gold nanoparticles (AuNPs) have attracted attention for their unique electronic and optical properties and their wide range of applications. The development of hybrid nanoparticles by combining AuNPs with other molecules or materials is a powerful way of introducing new functions and extending their use. In particular, gold nanoparticles can be associated to organometallic complexes, biological molecules, coordination polymers or polyoxometalates (POMs), the latter being a group of soluble anionic metal oxides composed of transition metals in high oxidation states. Inorganic POMs come in a wide variety of shapes and sizes and are valued especially for their biological and catalytic properties. They are particularly interesting for the synthesis of AuNPs composites, as they can stabilize nanoparticles through electrostatic or covalent interactions and steric effects without the presence of additional surfactants, reduce gold cations by photochemical, electrochemical, or chemical reduction, or directly when used in their reduced form, and confer properties to the resulting systems. POMs can also be covalently combined with organic molecules of interest, which can in turn contribute to the functionalities of the gold nanoparticles. This review focuses on gold nanoparticles directly coated with POMs and covers their synthesis and characterization. Particular attention is also paid to their applications, including (photo)(electro)catalysis, biomedical applications (antibacterial, anticancer and anti-Alzheimer's) and their use as sensors.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"548 ","pages":"Article 217226"},"PeriodicalIF":23.5,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241335","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}
引用次数: 0
Harnessing engineered metal-phenolic networks as theranostic nanomedicines for cancer treatments 利用工程金属酚网络作为治疗癌症的纳米药物
IF 23.5 1区 化学
Coordination Chemistry Reviews Pub Date : 2025-10-07 DOI: 10.1016/j.ccr.2025.217230
Zhendong Liu , Ping'an Ma , Jun Lin
{"title":"Harnessing engineered metal-phenolic networks as theranostic nanomedicines for cancer treatments","authors":"Zhendong Liu ,&nbsp;Ping'an Ma ,&nbsp;Jun Lin","doi":"10.1016/j.ccr.2025.217230","DOIUrl":"10.1016/j.ccr.2025.217230","url":null,"abstract":"<div><div>Nanomedicines leverage multifunctional components to engineer precise nanocarriers, with the goal of enhancing therapeutic outcomes while minimizing off-target effects in cancer treatments. However, the development of drug carriers integrating diagnostic and therapeutic functions faces significant challenges, including sophisticated synthetic routes, poor stability, limited biodegradability, and poor metabolization. Metal-phenolic networks (MPNs), a category of supramolecular amorphous networks fabricated by the coordinated self-assembly involving phenolic ligands and metal ions, have arisen as burgeoning candidates for biomedical application due to their facile fabrication, favorable biocompatibility, versatile loading capability, intrinsic biodegradability, and pH responsiveness, primarily functioning as multifunctional theranostic nanoformulations. In addition, surface engineering strategies enable the customization of MPNs to fulfill diverse application demands. Here, the strategies for constructing various types of MPNs are first summarized, succeeded by the presentation of distinct properties of MPNs. Then, their advancements in diverse programmed cell death (PCD) pathways, including apoptosis, ferroptosis, cuproptosis, pyroptosis, and disulfidptosis, together with bioimaging and corresponding induction of immunogenic cell death (ICD), are emphasized. Eventually, the principal constraints, current obstacles, and future perspectives regarding MPNs are offered and examined for enhancing cancer therapy.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"548 ","pages":"Article 217230"},"PeriodicalIF":23.5,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145234955","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}
引用次数: 0
The promise of porous organic cages: Bridging fundamental insights and real-world impact in energy and beyond 多孔有机笼的前景:弥合基本见解和现实世界对能源及其他领域的影响
IF 23.5 1区 化学
Coordination Chemistry Reviews Pub Date : 2025-10-06 DOI: 10.1016/j.ccr.2025.217212
Hamid Ali , Yasin Orooji , Basem Al Alwan , Atef E.L. Jery , Mosa Alsehli , Ahmed M. Abu-Dief , Sheng-Rong Guo , Yongbo Song , Asif Hayat
{"title":"The promise of porous organic cages: Bridging fundamental insights and real-world impact in energy and beyond","authors":"Hamid Ali ,&nbsp;Yasin Orooji ,&nbsp;Basem Al Alwan ,&nbsp;Atef E.L. Jery ,&nbsp;Mosa Alsehli ,&nbsp;Ahmed M. Abu-Dief ,&nbsp;Sheng-Rong Guo ,&nbsp;Yongbo Song ,&nbsp;Asif Hayat","doi":"10.1016/j.ccr.2025.217212","DOIUrl":"10.1016/j.ccr.2025.217212","url":null,"abstract":"<div><div>Porous organic cages (POCs) are an emerging class of materials defined by their unique molecular structure and high porosity, facilitating various applications in multiple domains. This review outlines the development of POCs from initial descriptions to modern advancements, emphasizing their distinct structural properties and implications for crystal engineering, such as polymorphism and modular cocrystallization. The strategic engineering of POCs is examined through instinctive and computational methods and synthesis strategies that use reversible and irreversible bond-forming techniques. Furthermore, post-synthesis modifications and functionalization strategies are explored, illustrating the adaptability of POCs in tailoring their properties for aimed applications. The morphology of POCs, including crystalline, hierarchical, and thin film structures, and their potential uses in photocatalytic and electrocatalytic processes, gas separation, membranes, molecular recognition, proton conductivity, and energy storage in batteries. This comprehensive overview of POCs underscores their potential as transformative materials in chemistry and materials science, encouraging further research and innovation to unlock their full capabilities and address modern challenges in energy, environmental science, and beyond. The insights provided herein aim to inspire new directions in the design and application of POCs, reinforcing their status as a significant advancement in porous materials.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"548 ","pages":"Article 217212"},"PeriodicalIF":23.5,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145234954","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}
引用次数: 0
O-aminobenzamide: An increasingly popular privileged scaffold in drug discovery 邻氨基苯甲酰胺:一种在药物发现中日益流行的特殊支架
IF 23.5 1区 化学
Coordination Chemistry Reviews Pub Date : 2025-10-04 DOI: 10.1016/j.ccr.2025.217231
Linsheng Zhuo , Hao Xiong , Xi Zhang , Goeun Kim , Yan Peng , Hongyun Zou , Hoyeon Jang , Jun Li , Zhen Wang , Jong Seung Kim
{"title":"O-aminobenzamide: An increasingly popular privileged scaffold in drug discovery","authors":"Linsheng Zhuo ,&nbsp;Hao Xiong ,&nbsp;Xi Zhang ,&nbsp;Goeun Kim ,&nbsp;Yan Peng ,&nbsp;Hongyun Zou ,&nbsp;Hoyeon Jang ,&nbsp;Jun Li ,&nbsp;Zhen Wang ,&nbsp;Jong Seung Kim","doi":"10.1016/j.ccr.2025.217231","DOIUrl":"10.1016/j.ccr.2025.217231","url":null,"abstract":"<div><div>Privileged scaffolds, as functional building blocks in approved drugs and drug candidates, have been instrumental in accelerating the discovery of new molecular entities due to their ability to enhance the drug potency as well as overcome drug resistance. Among these scaffolds, <em>o</em>-aminobenzamide distinguishes itself as a novel scaffold with considerable potential, although it has been rarely explored in previous studies. This review mainly focuses on <em>o</em>-aminobenzamide motif for the first time, emphasizing its medicinal versatility in drug discovery. Herein, we provide a comprehensive summary of the structure-activity relationship and the structural basis for target recognition of such analogs. Owing to their wide-ranging applications in antiviral, anti-inflammatory, and particularly antitumor therapies, <em>o</em>-aminobenzamide derivatives are poised to gain increasing attention from medicinal chemists. This review could serve as a valuable reference for diverse drug discovery initiatives in the future.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"548 ","pages":"Article 217231"},"PeriodicalIF":23.5,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216229","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}
引用次数: 0
Next-generation MOFs for atmospheric water harvesting: The role of machine learning techniques 用于大气集水的下一代mof:机器学习技术的作用
IF 23.5 1区 化学
Coordination Chemistry Reviews Pub Date : 2025-10-04 DOI: 10.1016/j.ccr.2025.217211
M. Arjmandi , E. Aytaç , M. Khayet , N. Hilal
{"title":"Next-generation MOFs for atmospheric water harvesting: The role of machine learning techniques","authors":"M. Arjmandi ,&nbsp;E. Aytaç ,&nbsp;M. Khayet ,&nbsp;N. Hilal","doi":"10.1016/j.ccr.2025.217211","DOIUrl":"10.1016/j.ccr.2025.217211","url":null,"abstract":"<div><div>Atmospheric Water Harvesting (AWH) using Metal-Organic Frameworks (MOFs) has emerged as a highly promising approach to mitigate water scarcity, especially in arid and semi-arid regions. The development of high-performance MOFs for AWH hinges on materials that exhibit optimal water uptake capacity, rapid adsorption-desorption kinetics, and robust hydrolytic stability. However, the structural complexity of MOFs and the inefficiencies of traditional experimental screening have made data-driven approaches, particularly machine learning (ML), increasingly indispensable for accelerating materials discovery. Among the ML techniques applied to MOF-based AWH, models such as Random Forest (RF), Random Forest Regression (RFR), Neighbor Component Analysis (NCA), Genetic Algorithms (GA), and Machine-Learned Atomistic Cluster Expansion (MACE) have demonstrated outstanding predictive performance. These models are especially valued for their ability to capture non-linear dependencies, improve interpretability, and optimize design strategies across diverse application domains. This review presents a comprehensive analysis of ML-assisted MOF discovery for AWH, focusing on the roles of explicit and latent descriptors, evaluation metrics, dataset curation challenges, and comparative model performance. By emphasizing the superior predictive capabilities of RF, MACE, NCA, RFR, and GA, this work highlights the transformative potential of ML in driving the rational design of next-generation MOFs for efficient and scalable AWH.</div></div>","PeriodicalId":289,"journal":{"name":"Coordination Chemistry Reviews","volume":"548 ","pages":"Article 217211"},"PeriodicalIF":23.5,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216262","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}
引用次数: 0
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