Chemical Reviews最新文献_第4页

IF 51.4 1区化学

Chemical Reviews Pub Date : 2025-06-11

Timothy S. Chisholm*, and , Christopher A. Hunter,

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IF 51.4 1区化学

Chemical Reviews Pub Date : 2025-06-11

Ligang Yuan, Qifan Xue, Feng Wang, Ning Li, Geoffrey I. N. Waterhouse, Christoph J. Brabec, Feng Gao* and Keyou Yan*,

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IF 51.4 1区化学

Chemical Reviews Pub Date : 2025-06-11

Zhao Liu*, Shuang Bai, Sven Burke, James N. Burrow, Remco Geurts, Chen-Jui Huang, Chengge Jiao, Hee-Beom Lee, Ying Shirley Meng, Libor Novák, Bartłomiej Winiarski, Jing Wang, Ken Wu and Minghao Zhang*,

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Studying Noncovalent Interactions in Molecular Systems with Machine Learning 用机器学习研究分子系统中的非共价相互作用

IF 62.1 1区化学

Chemical Reviews Pub Date : 2025-06-09 DOI: 10.1021/acs.chemrev.4c00893

Serhii Tretiakov, AkshatKumar Nigam, Robert Pollice

{"title":"Studying Noncovalent Interactions in Molecular Systems with Machine Learning","authors":"Serhii Tretiakov, AkshatKumar Nigam, Robert Pollice","doi":"10.1021/acs.chemrev.4c00893","DOIUrl":"https://doi.org/10.1021/acs.chemrev.4c00893","url":null,"abstract":"Noncovalent interactions (NCIs) is an umbrella term for a multitude of typically weak interactions within and between molecules. Despite the low individual energy contributions, their collective effect significantly influences molecular behavior. Accordingly, understanding these interactions is crucial across fields like catalysis, drug design, materials science, and environmental chemistry. However, predicting NCIs is challenging, requiring at least molecular mechanics-level pairwise energy contributions or efficient quantum mechanical electron correlation treatment. In this review, we investigate the application of machine learning (ML) to study NCIs in molecular systems, an emerging research field. ML excels at modeling complex nonlinear relationships, and is capable of integrating vast data sets from experimental and theoretical sources. It offers a powerful approach for analyzing interactions across scales, from small molecules to large biomolecular assemblies. Specifically, we examine data sets characterizing NCIs, compare molecular featurization techniques, assess ML models predicting NCIs explicitly, and explore inverse design approaches. ML enhances predictive accuracy, reduces computational costs, and reveals overlooked interaction patterns. By identifying current challenges and future opportunities, we highlight how ML-driven insights could revolutionize this field. Overall, we believe that recent proof-of-concept studies foreshadow exciting developments for the study of NCIs in the years to come.","PeriodicalId":32,"journal":{"name":"Chemical Reviews","volume":"3 1","pages":""},"PeriodicalIF":62.1,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144252854","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}

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Bioinspired Multifunctional and Dynamic Color-Tuning Photonic Devices 仿生多功能动态调色光子器件

IF 62.1 1区化学

Chemical Reviews Pub Date : 2025-06-09 DOI: 10.1021/acs.chemrev.4c00844

Abbas Ahmed, Shuai Zhou, Binhong Yu, Tiantian Li, Josh N. Bodin, Songshan Zeng, Xuesong Jiang, Luyi Sun

{"title":"Bioinspired Multifunctional and Dynamic Color-Tuning Photonic Devices","authors":"Abbas Ahmed, Shuai Zhou, Binhong Yu, Tiantian Li, Josh N. Bodin, Songshan Zeng, Xuesong Jiang, Luyi Sun","doi":"10.1021/acs.chemrev.4c00844","DOIUrl":"https://doi.org/10.1021/acs.chemrev.4c00844","url":null,"abstract":"Tremendous progress has been achieved in comprehending the scientific principles governing nature and translating them into practical applications. Among the areas of interest within photonic systems, bioinspired color-tuning devices originating from physical structure modulation hold significant importance. This Review provides an overview of cutting-edge advancements in bioinspired structural color-tuning photonic devices across various applications. First, we delve into the origins, design principles, and fundamental physics underlying bioinspired structural color systems by showcasing diverse living species found in nature. Subsequently, we explore various photonic nano/microscale building blocks, including one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) structures, along with their fabrication techniques. Additionally, we present various biomimetic material systems and strategies for fabricating dynamic structural color devices. Furthermore, we discuss recent breakthroughs in biomimetic photonic systems across key application areas including sensing, interactive soft robotics, digital information encryption/decryption, dynamic displays, and energy. In summary, this Review provides a comprehensive analysis of bioinspired color-tuning photonic devices, shedding light on their intricate structure–function relationships, and aims to inspire the adoption and development of advanced color-tuning strategies. Finally, we address current challenges and offer insights into potential groundbreaking developments in the field of bioinspired optical materials.","PeriodicalId":32,"journal":{"name":"Chemical Reviews","volume":"21 1","pages":""},"PeriodicalIF":62.1,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144252856","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}

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Recent Advances in the Use of Ionic Liquids and Deep Eutectic Solvents for Lignocellulosic Biorefineries and Biobased Chemical and Material Production 离子液体和深度共晶溶剂在木质纤维素生物炼制和生物基化学和材料生产中的应用进展

IF 62.1 1区化学

Chemical Reviews Pub Date : 2025-06-06 DOI: 10.1021/acs.chemrev.4c00754

Pedro Verdía Barbará, Hemant Choudhary, Pedro S. Nakasu, Amir Al-Ghatta, Yinglei Han, Cynthia Hopson, Raul I. Aravena, Dhirendra Kumar Mishra, Antonio Ovejero-Pérez, Blake A. Simmons, Jason P. Hallett

{"title":"Recent Advances in the Use of Ionic Liquids and Deep Eutectic Solvents for Lignocellulosic Biorefineries and Biobased Chemical and Material Production","authors":"Pedro Verdía Barbará, Hemant Choudhary, Pedro S. Nakasu, Amir Al-Ghatta, Yinglei Han, Cynthia Hopson, Raul I. Aravena, Dhirendra Kumar Mishra, Antonio Ovejero-Pérez, Blake A. Simmons, Jason P. Hallett","doi":"10.1021/acs.chemrev.4c00754","DOIUrl":"https://doi.org/10.1021/acs.chemrev.4c00754","url":null,"abstract":"Biorefineries, which process biomass feedstocks into valuable (bio)products, aim to replace fossil fuel-based refineries to produce energy and chemicals, reducing environmental and health hazards, including climate change, and supporting a sustainable economy. In particular, lignocellulose-based biorefineries, utilizing the most abundant renewable feedstock on Earth, have significant potential to supply sustainable energy, chemicals and materials. Ionic liquids (ILs, organic salts with low melting temperatures) and deep eutectic solvents (DESs, mixtures with eutectic points lower than the ideal mixture) are capable of dissolving some of the key lignocellulose polymers, and even the whole biomass. Furthermore, they have intrinsic advantages over molecular solvents, including safer usage profiles and high tunability, which allow tailored physicochemical properties. Such properties provide unique opportunities for the development of new processes that could unlock the full potential of future biorefineries. Here, we review the current state of lignocellulosic biomass processing with ILs and DESs, with a specific focus on the pretreatment chemistry, process flow and products from each component; followed by discussions on sustainability assessments and technological challenges. We aim to inform the research community about the opportunities, challenges and perspectives in developing truly sustainable lignocellulose-based biorefineries.","PeriodicalId":32,"journal":{"name":"Chemical Reviews","volume":"10 1","pages":""},"PeriodicalIF":62.1,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229163","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}

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Quantum Machine Learning in Drug Discovery: Applications in Academia and Pharmaceutical Industries 量子机器学习在药物发现中的应用：在学术界和制药行业

IF 62.1 1区化学

Chemical Reviews Pub Date : 2025-06-06 DOI: 10.1021/acs.chemrev.4c00678

Anthony M. Smaldone, Yu Shee, Gregory W. Kyro, Chuzhi Xu, Nam P. Vu, Rishab Dutta, Marwa H. Farag, Alexey Galda, Sandeep Kumar, Elica Kyoseva, Victor S. Batista

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Metal–N-Heterocyclic Carbene Complexes in Buchwald–Hartwig Amination Reactions Buchwald-Hartwig胺化反应中的金属- n -杂环卡宾配合物

IF 62.1 1区化学

Chemical Reviews Pub Date : 2025-06-06 DOI: 10.1021/acs.chemrev.5c00088

Sourav Sekhar Bera, Greta Utecht-Jarzyńska, Shiyi Yang, Steven P. Nolan, Michal Szostak

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Noncovalent Aggregation for Diverse Properties in Hydrogels: A Comprehensive Review 水凝胶中不同性质的非共价聚集：综述

IF 62.1 1区化学

Chemical Reviews Pub Date : 2025-06-05 DOI: 10.1021/acs.chemrev.5c00069

Sidi Duan, Mutian Hua, Chuan Wei Zhang, Wen Hong, Yichen Yan, Abdullatif Jazzar, Chi Chen, Pengju Shi, Muqing Si, Dong Wu, Zishang Lin, Ping He, Yingjie Du, Ximin He

{"title":"Noncovalent Aggregation for Diverse Properties in Hydrogels: A Comprehensive Review","authors":"Sidi Duan, Mutian Hua, Chuan Wei Zhang, Wen Hong, Yichen Yan, Abdullatif Jazzar, Chi Chen, Pengju Shi, Muqing Si, Dong Wu, Zishang Lin, Ping He, Yingjie Du, Ximin He","doi":"10.1021/acs.chemrev.5c00069","DOIUrl":"https://doi.org/10.1021/acs.chemrev.5c00069","url":null,"abstract":"The rapid expansion of hydrogel research over recent decades has bridged fundamental chemistry and physics with advanced materials science applications. This field necessitates comprehensive and in-depth review and discussion of the diverse and rapidly expanding body of research, thereby providing a cohesive understanding that can drive future innovations and applications. This review delves into the role of noncovalent interactions in hydrogel aggregation, a critical mechanism for creating desired microstructures that enhance material properties. Inspired by natural molecular architecture, this paper explores how synthetic hydrogels exploit hydrogen bonds, hydrophobic interactions, and other noncovalent forces to create robust, multifunctional, and water-rich networks. We further discuss methods to induce these interactions and the unique properties resulting from the formed structures. With these methods, we provide insights into the art of manipulating aggregated structures within hydrogels to develop adaptable, tunable materials for a broad range of applications, including bioengineering, robotics and soft electronics, highlighting their significant practical value across interdisciplinary fields.","PeriodicalId":32,"journal":{"name":"Chemical Reviews","volume":"249 1","pages":""},"PeriodicalIF":62.1,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229326","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}

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Probing Molecular Properties at Atomic Length Scale Using Charge-State Control 利用电荷-状态控制在原子长度尺度上探测分子性质

IF 62.1 1区化学

Chemical Reviews Pub Date : 2025-06-02 DOI: 10.1021/acs.chemrev.4c00899

Laerte L. Patera, Shadi Fatayer, Jascha Repp, Leo Gross

{"title":"Probing Molecular Properties at Atomic Length Scale Using Charge-State Control","authors":"Laerte L. Patera, Shadi Fatayer, Jascha Repp, Leo Gross","doi":"10.1021/acs.chemrev.4c00899","DOIUrl":"https://doi.org/10.1021/acs.chemrev.4c00899","url":null,"abstract":"The charge state plays a critical role in governing the structural, electronic, and chemical properties of molecules. Controlling the charge state of individual molecules provides a powerful tool for exploring fundamental processes, such as redox reactions, selective bond rearrangements, molecular excitations, charge transfer, and modulation of reaction pathways at the single-molecule level. Recent advancements in scanning tunneling microscopy (STM) and atomic force microscopy (AFM) have enabled precise and stable manipulation of molecular charge states, allowing for detailed, high-resolution studies of charge-state-dependent phenomena. In this review, we discuss the principles and methodologies for charge-state control in STM and AFM, with a focus on strategies for stabilizing charge states in a controlled experimental environment. We also examine key advancements in the ability to detect and manipulate intra- and intermolecular charge transfer, providing insights into charge-mediated processes, such as structural rearrangements, electronic states, and reactivity at the atomic scale. Finally, we highlight the potential of charge-state control to probe electronic excited states and resolve spin-coherence in individual molecules.","PeriodicalId":32,"journal":{"name":"Chemical Reviews","volume":"31 1","pages":""},"PeriodicalIF":62.1,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144202218","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