Chem Catalysis最新文献_第4页

Scalable single-atom catalyst for high-performing and durable water electrolyzers 可扩展的单原子催化剂，用于高性能和耐用的水电解槽

IF 9.4

Chem Catalysis Pub Date : 2025-07-17 DOI: 10.1016/j.checat.2025.101440

Linlin Liu, ChungHyuk Lee

引用次数: 0

MOF@POM hybrid sets a new benchmark for alkaline water oxidation MOF@POM hybrid为碱性水氧化设定了新的基准

IF 9.4

Chem Catalysis Pub Date : 2025-07-17 DOI: 10.1016/j.checat.2025.101444

Yazhou Zhou, Guangbo Chen

引用次数: 0

A bifunctional boronic acid/phosphorus(V) organocatalyst for the direct room-temperature amidation of carboxylic acids 用于羧酸室温直接酰胺化的双功能硼酸/磷(V)有机催化剂

IF 9.4

Chem Catalysis Pub Date : 2025-07-15 DOI: 10.1016/j.checat.2025.101460

Kimberly A.W. Reid, Randy Sutio, Jack M. Ranani, Maksym Pavlenko, Brennah E. Slaney, Christophe Allais, Johnny W. Lee, Christopher Sandford

引用次数: 0

Plastic-waste hydrogenolysis over two-dimensional MXene-supported ruthenium catalysts with tunable interlayer spacing 可调层间距的二维mxene负载钌催化剂上的塑料废物氢解

IF 9.4

Chem Catalysis Pub Date : 2025-07-15 DOI: 10.1016/j.checat.2025.101459

Ali Kamali, Joshua M. Little, Song Luo, Amy Chen, Akash Warty, Antara Bhowmick, Jorge Moncada, Evan P. Jahrman, Brandon C. Vance, Jong K. Keum, Taylor J. Woehl, Po-Yen Chen, Dionisios G. Vlachos, Dongxia Liu

{"title":"Plastic-waste hydrogenolysis over two-dimensional MXene-supported ruthenium catalysts with tunable interlayer spacing","authors":"Ali Kamali, Joshua M. Little, Song Luo, Amy Chen, Akash Warty, Antara Bhowmick, Jorge Moncada, Evan P. Jahrman, Brandon C. Vance, Jong K. Keum, Taylor J. Woehl, Po-Yen Chen, Dionisios G. Vlachos, Dongxia Liu","doi":"10.1016/j.checat.2025.101459","DOIUrl":"https://doi.org/10.1016/j.checat.2025.101459","url":null,"abstract":"The hydrogenolysis of plastics is limited by active-site inaccessibility and inefficient mass transport of bulky polymer chains. To overcome these challenges, this work developed two-dimensional MXene-supported Ru (Ru@MXene) catalysts. Lyophilization of a solution containing dispersed MXene sheets and Ru precursors enabled the confinement of Ru species within the MXene interlayers, which act as pillars to expand the interlayer spacing. Building on this, a silica-pillared MXene-supported Ru (Ru@P-MXene) with even larger interlayer spacing exhibited a reaction rate of 914.9 gC5–C35 gRu−1 h−1 for the hydrogenolysis of low-density polyethylene (LDPE) into valuable liquid chemicals (e.g., C5–C35). A comparison of product yields between Ru@P-MXene and Ru@MXene suggests that elongated Ru particles confined within the MXene support expose their side facets for the reaction. This work demonstrates a new application of MXene in thermochemical catalysis, offering a solution to the challenges of active-site accessibility, mass transport, and reaction confinement in chemical plastic upcycling.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"59 17 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144630097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Streamlining enzyme discovery and development through data analysis and computation 通过数据分析和计算简化酶的发现和开发

IF 9.4

Chem Catalysis Pub Date : 2025-07-10 DOI: 10.1016/j.checat.2025.101445

Ashutosh Kumar, Jan Taubitz, Fabian Meyer, Nicolas Imstepf, Jiaming Peng, Erika Tassano, Charles Moore, Thomas Lochmann, Radka Snajdrova, Rebecca Buller

{"title":"Streamlining enzyme discovery and development through data analysis and computation","authors":"Ashutosh Kumar, Jan Taubitz, Fabian Meyer, Nicolas Imstepf, Jiaming Peng, Erika Tassano, Charles Moore, Thomas Lochmann, Radka Snajdrova, Rebecca Buller","doi":"10.1016/j.checat.2025.101445","DOIUrl":"https://doi.org/10.1016/j.checat.2025.101445","url":null,"abstract":"Here, we report the development of EnzyMS, a Python-based pipeline for the analysis of high-resolution liquid chromatography-mass spectrometry (LC-MS) data specifically tailored for biocatalysis experiments. Applying EnzyMS to biocatalytic reactions carried out with variants of Fe(II)/α-ketoglutarate-dependent halogenase WelO5∗ on the antifungal macrolide soraphen A, we discovered reaction outcomes that had not been observable when using standard analysis software. Interestingly, we detected a previously unreported selective oxidative demethylation of soraphen A alongside the reported hydroxylations and chlorinations. Building on this finding, a computationally guided protein engineering approach allowed us to identify a WelO5∗ variant that exhibited a 3-fold improved demethylation performance by only creating and testing three predicted variants. In summary, we showcase the utility of the EnzyMS workflow and its potential to enable rapid detection of previously unobserved biocatalytic products and highlight the valuable synergies between data science pipelines and the computational design of enzymes.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"15 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144594853","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dynamically controlled kinetic selectivity in reactions promoted by transition metal catalysts 过渡金属催化剂促进反应的动态控制动力学选择性

IF 9.4

Chem Catalysis Pub Date : 2025-07-10 DOI: 10.1016/j.checat.2025.101431

Dean J. Tantillo

引用次数: 0

Machine learning-assisted protein engineering for improving stereoselectivity 提高立体选择性的机器学习辅助蛋白质工程

IF 9.4

Chem Catalysis Pub Date : 2025-07-08 DOI: 10.1016/j.checat.2025.101442

Yu-Fei Ao

引用次数: 0

π-π interaction-directed asymmetric hydrogenation of sterically unbiased aromatic ketones 空间无偏置芳香酮的π-π相互作用定向不对称氢化反应

IF 9.4

Chem Catalysis Pub Date : 2025-07-03 DOI: 10.1016/j.checat.2025.101438

Jingyuan Song, Renwei Xiao, Hui He, Li Wang, Fanping Huang, Menglong Zhao, Donghuang Liu, Shao-Fei Ni, Gen-Qiang Chen, Xumu Zhang

{"title":"π-π interaction-directed asymmetric hydrogenation of sterically unbiased aromatic ketones","authors":"Jingyuan Song, Renwei Xiao, Hui He, Li Wang, Fanping Huang, Menglong Zhao, Donghuang Liu, Shao-Fei Ni, Gen-Qiang Chen, Xumu Zhang","doi":"10.1016/j.checat.2025.101438","DOIUrl":"https://doi.org/10.1016/j.checat.2025.101438","url":null,"abstract":"Transition metal-catalyzed asymmetric hydrogenation of ketones has been well established; however, the asymmetric hydrogenation of sterically unbiased ketones remains a major challenge, primarily due to difficulties in controlling enantioselectivity. Here, we report a highly practical and efficient protocol for the asymmetric hydrogenation of such substrates, delivering chiral cyclic diaryl alcohols (including the baloxavir intermediate) in up to a 99% yield and 99% enantiomer excess (ee). Mechanistic studies show that [Ir(cod)Cl]2 undergoes intramolecular oxidative C–H activation with an oxa-spirocyclic ligand, forming a rigid, butterfly-shaped Ir–PNNC complex, as confirmed by single-crystal X-ray diffraction. In our understanding, this tetradentate binding both prevents catalyst poisoning by sulfur-containing substrates and maximizes enantioselectivity, aided by crucial π-π interactions (as revealed by density functional theory [DFT] and non-covalent bond interaction [NCI] analyses). The synthetic practicality is demonstrated by gram-scale hydrogenation with excellent stereocontrol, underscoring the potential of this approach for the efficient preparation of valuable enantiopure compounds.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"27 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144547468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Stabilization of highly active Ru sites toward acidic water oxidation by dual-atom doping 双原子掺杂稳定高活性钌位对酸性水氧化的影响

IF 9.4

Chem Catalysis Pub Date : 2025-07-03 DOI: 10.1016/j.checat.2025.101441

Jialin Tang, Qisheng Zeng, Qiu Jiang, Haoyuan Wang, Sunpei Hu, Yuan Ji, Hongliang Zeng, Chunxiao Liu, Hong-Jie Peng, Xu Li, Tingting Zheng, Chih-Wen Pao, Xinyan Liu, Chuan Xia

引用次数: 0

Surface reconstruction of versatile perovskites via in situ nanoparticle engineering for solid oxide cells 固体氧化物电池中多用途钙钛矿的原位纳米工程表面重建

IF 9.4

Chem Catalysis Pub Date : 2025-07-01 DOI: 10.1016/j.checat.2025.101432

Boshen Xu, Jiufeng Ruan, Pengxi Zhu, Sidong Lei, Hanping Ding, Pei Dong

{"title":"Surface reconstruction of versatile perovskites via in situ nanoparticle engineering for solid oxide cells","authors":"Boshen Xu, Jiufeng Ruan, Pengxi Zhu, Sidong Lei, Hanping Ding, Pei Dong","doi":"10.1016/j.checat.2025.101432","DOIUrl":"https://doi.org/10.1016/j.checat.2025.101432","url":null,"abstract":"Renewable energy conversion is pivotal for decarbonization via a carbon-neutral energy cycle. Solid oxide cells (SOCs) offer efficient energy conversion for power generation, hydrogen production, and CO2 electrolysis. These devices benefit from favorable thermodynamic and catalytic mechanisms enabled by high-temperature operation. Perovskite oxides are key SOC catalysts due to their tunable lattice structures, which influence electronic properties, defect chemistry, and catalytic activity. Perovskite surface reconstruction attracts much attention as a critical strategy to enhance reaction kinetics by tailoring surface properties and improving electrode performance. This review explores the unique adaptability of perovskite oxides for surface modification, along with the relationships between lattice structures, surface characteristics, and catalytic performance. It highlights methods for atomic-level reconstruction and summarizes recent experimental and theoretical progress, offering insights for designing next-generation SOC catalysts and advancing the application of perovskite oxides in renewable energy.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"19 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144521329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0