Angewandte Chemie最新文献_第5页

Dawid Lichosyt

Angewandte Chemie Pub Date : 2025-05-22 DOI: 10.1002/ange.202510161

Dawid Lichosyt

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Inside Back Cover: Cyclo-P5 − Revisited: The Surprisingly Stable Uncoordinated Pentaphospholide Anion (Angew. Chem. 24/2025) 内页封底：环p5−重访：出奇稳定的不协调五磷阴离子（新）。化学24/2025)

Angewandte Chemie Pub Date : 2025-05-20 DOI: 10.1002/ange.202510375

Moritz J. Ernst, Dr. Andrey Petrov, Mirjam Schröder, Prof. Dr. Björn Corzilius, Prof. Dr. Christian Müller

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Inside Front Cover: Optimizing the Selectivity of CH4 Electrosynthesis from CO2 over Cuprates through Cu─O Bond Length Descriptor (Angew. Chem. 24/2025) 内页封面：通过Cu─O键长描述子优化铜酸盐上CO2电合成CH4的选择性。化学24/2025)

Angewandte Chemie Pub Date : 2025-05-20 DOI: 10.1002/ange.202510022

Yunze Xu, Yu Zhang, Hongyan Zhao, Lei Shi, Zhenbao Zhang, Xueyan Li, Zhen Xue, Heqing Jiang, Yongfa Zhu, Jiawei Zhu

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Outside Front Cover: A Bench-stable Fluorophosphine Nickel(0) Complex and Its Catalytic Application (Angew. Chem. 24/2025) 外封面：一种台架稳定的氟膦镍(0)配合物及其催化应用新进展。化学24/2025)

Angewandte Chemie Pub Date : 2025-05-20 DOI: 10.1002/ange.202510369

Franziska Flecken, Arjun Neyyathala, Toni Grell, Schirin Hanf

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Correction to “Near-Infrared Activatable Copper Nanoplatforms Synergize With the 5-Azacytidine Prodrug to Potentiate Cuproptosis” 对“近红外可活化铜纳米平台与5-氮杂胞苷前药协同促进铜还原”的修正

Angewandte Chemie Pub Date : 2025-05-20 DOI: 10.1002/ange.202510314

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Flow Battery with Remarkably Stable Performance at High Current Density: Development of A Nonfluorinated Separator with Concurrent Rejection and Conductivity 在高电流密度下具有显著稳定性能的液流电池：一种同时具有阻隔性和导电性的无氟隔膜的研制

Angewandte Chemie Pub Date : 2025-05-19 DOI: 10.1002/ange.202505383

Wanqiao Liang, Ehsan Ghasemiestahbanati, Nathan T. Eden, Durga Acharya, Cara M. Doherty, Mainak Majumder, Matthew R. Hill

{"title":"Flow Battery with Remarkably Stable Performance at High Current Density: Development of A Nonfluorinated Separator with Concurrent Rejection and Conductivity","authors":"Wanqiao Liang, Ehsan Ghasemiestahbanati, Nathan T. Eden, Durga Acharya, Cara M. Doherty, Mainak Majumder, Matthew R. Hill","doi":"10.1002/ange.202505383","DOIUrl":"https://doi.org/10.1002/ange.202505383","url":null,"abstract":"Redox flow batteries show promise for large-scale grid stabilisation. Of these, organic redox flow batteries (ORFBs) harbour the potential for sustainable and economic operation due to the materials deployed. Their long-term operation requires exquisite transport control of species across the cell, with movement of cations key for high current density, and anionic rejection needed for cycling stability. Nafion, although promising as a commercial separator, faces cost and sustainability limitations due to its fluorinated nature and per- and polyfluroralkyl substances (PFAS) generation. Here, we report the tailored combination of a hydrophilic mixed-matrix membrane, SPEEK-SX, with sulphonated polydichloroxylene (Sp-DCX) as the additive and sulphonated poly(ether ether ketone) (SPEEK) as the matrix. Compared to Nafion-212, the dense aromatic backbone of SPEEK efficiently rejected the crossover of electrolytes, with sulfonate groups housed within Sp-DCX micropores increasing Na+ mobility. SPEEK-SX2 exhibited 190 times higher Na+/ Fe(CN)64− selectivity and 6 times higher Na+/ 2,6-DHAQ2− selectivity compared to Nafion-212. This enabled stable operation for 600 cycles at a high current density of 160 mA cm−2 with only 0.00935% per cycle capacity decay. In contrast, the SPEEK membrane exhibited 0.07% per cycle decay, whereas Nafion-212 failed to run at this high current density.","PeriodicalId":7803,"journal":{"name":"Angewandte Chemie","volume":"137 25","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ange.202505383","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144300311","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Mitigating Molecular Aggregation in Drug Discovery With Predictive Insights From Explainable AI 通过可解释人工智能的预测见解减轻药物发现中的分子聚集

Angewandte Chemie Pub Date : 2025-05-19 DOI: 10.1002/ange.202503259

Hunter Sturm, Jonas Teufel, Kaitlin A. Isfeld, Dr. Pascal Friederich, Dr. Rebecca L. Davis

{"title":"Mitigating Molecular Aggregation in Drug Discovery With Predictive Insights From Explainable AI","authors":"Hunter Sturm, Jonas Teufel, Kaitlin A. Isfeld, Dr. Pascal Friederich, Dr. Rebecca L. Davis","doi":"10.1002/ange.202503259","DOIUrl":"https://doi.org/10.1002/ange.202503259","url":null,"abstract":"Herein, we present the application of multi-channel graph attention network (MEGAN), our explainable AI (xAI) model, for the identification of small colloidally aggregating molecules (SCAMs). This work offers solutions to the long-standing problem of false positives caused by SCAMs in high-throughput screening for drug discovery and demonstrates the power of xAI in the classification of molecular properties that are not chemically intuitive based on our current understanding. We leverage xAI insights and molecular counterfactuals to design alternatives to problematic compounds in drug screening libraries. Additionally, we experimentally validate the MEGAN prediction classification for one of the counterfactuals and demonstrate the utility of counterfactuals for altering the aggregation properties of a compound through minor structural modifications. The integration of this method in high-throughput screening approaches will help combat and circumvent false positives, providing better lead molecules more rapidly and thus accelerating drug discovery cycles.","PeriodicalId":7803,"journal":{"name":"Angewandte Chemie","volume":"137 29","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ange.202503259","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144624777","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A Cerium-Naphthazarin Catecholate MOF as a Heterogeneous Photocatalyst for Selective Functionalization of Alkanes 铈-萘杂酚儿茶酚酸MOF作为烷烃选择性功能化的非均相光催化剂

Angewandte Chemie Pub Date : 2025-05-19 DOI: 10.1002/ange.202503328

Sharath Kandambeth, Rajesh Kancherla, Kuntal Pal, Taslim Melliti, Mostafa Zeama, Vinayak S. Kale, Issatay Nadinov, Abdulaziz M. Alali, Osama Shekhah, Omar F. Mohammed, Magnus Rueping, Mohamed Eddaoudi

{"title":"A Cerium-Naphthazarin Catecholate MOF as a Heterogeneous Photocatalyst for Selective Functionalization of Alkanes","authors":"Sharath Kandambeth, Rajesh Kancherla, Kuntal Pal, Taslim Melliti, Mostafa Zeama, Vinayak S. Kale, Issatay Nadinov, Abdulaziz M. Alali, Osama Shekhah, Omar F. Mohammed, Magnus Rueping, Mohamed Eddaoudi","doi":"10.1002/ange.202503328","DOIUrl":"https://doi.org/10.1002/ange.202503328","url":null,"abstract":"In this work, we have successfully synthesized a series of novel semiconducting 2D catecholate metal-organic frameworks (MOFs) based on naphthazarin ligands by utilizing unraveled metal-acetyl acetonate linkage chemistry. The synthesized MOFs exhibited excellent light absorption properties and chemical stability across various solvents. Its insoluble and stable framework, combined with an optimal band gap, enabled its use as a photocatalyst for organic transformations. For the first time, Ce-Naph MOF is explored as a heterogeneous catalyst for photocatalytic applications specifically for the selective C–H amination of alkanes, achieving yields of up to 89% under ambient conditions. We propose that the initial metal-to-ligand charge transfer in Ce-Naph MOF, promoted by light, is essential for forming an active alkoxy-Ce(IV)-species. This species subsequently undergoes ligand-to-metal charge transfer to generate the alkoxy radical, which acts as a hydrogen atom transfer reagent to activate alkanes. Furthermore, Ce-Naph MOF demonstrated long-term cyclic stability, maintaining its catalytic activity and structural integrity over five cycles, highlighting its durability as a heterogeneous catalyst. We are confident that this straightforward and practical methodology opens new avenues for industrial applications, significantly advancing the fields of metal catalysis, photocatalysis, and sustainable chemistry.","PeriodicalId":7803,"journal":{"name":"Angewandte Chemie","volume":"137 29","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144624778","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

Photocatalytic Boron Insertion into Thiaarenes via Boryl Radicals 光催化硼通过硼基自由基插入硫代芳烃

Angewandte Chemie Pub Date : 2025-05-19 DOI: 10.1002/ange.202508379

Yubing Pang, Ermeng Wang, Prof. Dr. Juntao Ye

引用次数: 0

Frontispiece: pH-Dependent Switching Between Nonlinear-Optical-Active Nitrate-Based Supramolecular Polymorphs 前言：非线性光学活性硝酸盐基超分子多晶之间的ph依赖开关

Angewandte Chemie Pub Date : 2025-05-19 DOI: 10.1002/ange.202582101

引用次数: 0