We report the selective nucleophilic addition of aryllithium species to acyl cyanides-electrophiles bearing both carbonyl and cyano functional groups-under catalyst-free continuous flow conditions. Using benzoyl cyanide as a model substrate, we demonstrate that the flow microreactor system enables highly selective addition to the carbonyl moiety while eliminating the cyano group as a leaving group, affording polyfunctional ketones in significantly improved yields compared to traditional batch processes.
{"title":"Selective nucleophilic addition of aryllithium reagents to α-ketonitriles giving ketones under microflow conditions.","authors":"Mohmmad S Qenawy,Kazuhiro Okamoto,Aiichiro Nagaki","doi":"10.1039/d5cc07035j","DOIUrl":"https://doi.org/10.1039/d5cc07035j","url":null,"abstract":"We report the selective nucleophilic addition of aryllithium species to acyl cyanides-electrophiles bearing both carbonyl and cyano functional groups-under catalyst-free continuous flow conditions. Using benzoyl cyanide as a model substrate, we demonstrate that the flow microreactor system enables highly selective addition to the carbonyl moiety while eliminating the cyano group as a leaving group, affording polyfunctional ketones in significantly improved yields compared to traditional batch processes.","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":"19 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2026-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147471858","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Rui Luo, Xingtong Guo, Zi Wang, Xiaonuo Jiang, Chao Su, Tao Wei
Anode-free lithium metal batteries (AFLMBs) offer ultrahigh energy density but suffer from unstable interfaces and nonuniform lithium deposition. Herein, a Ni/CoO-modified carbon cloth (CC@Ni/CoO) derived from bimetallic NiCo-MOFs is developed as a multi-sited functional current collector to regulate lithium nucleation and growth. The synergistic effect of multiple nucleation sites (CoO and Ni), combined with the conductive 3D framework, provides abundant lithiophilic sites and stable ion transport pathways, enabling uniform lithium deposition and suppressing dendrite formation. Consequently, the anode-free CC@Ni/CoO||LFP full cell maintains stable performance over 1000 cycles at 2C with a high capacity retention of 91.88 %. By implementing a rational interfacial design, this work holds significant promise for enabling future high-energy-density storage technologies.
{"title":"Bimetallic MOF-Derivatives Enabled Multi-Sited Current Collector for High-Performance Anode-Free Lithium Metal Battery","authors":"Rui Luo, Xingtong Guo, Zi Wang, Xiaonuo Jiang, Chao Su, Tao Wei","doi":"10.1039/d5cc07350b","DOIUrl":"https://doi.org/10.1039/d5cc07350b","url":null,"abstract":"Anode-free lithium metal batteries (AFLMBs) offer ultrahigh energy density but suffer from unstable interfaces and nonuniform lithium deposition. Herein, a Ni/CoO-modified carbon cloth (CC@Ni/CoO) derived from bimetallic NiCo-MOFs is developed as a multi-sited functional current collector to regulate lithium nucleation and growth. The synergistic effect of multiple nucleation sites (CoO and Ni), combined with the conductive 3D framework, provides abundant lithiophilic sites and stable ion transport pathways, enabling uniform lithium deposition and suppressing dendrite formation. Consequently, the anode-free CC@Ni/CoO||LFP full cell maintains stable performance over 1000 cycles at 2C with a high capacity retention of 91.88 %. By implementing a rational interfacial design, this work holds significant promise for enabling future high-energy-density storage technologies.","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":"401 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2026-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147492561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Kai Ling, Shu Li, Zicong Zhang, Woong-Hee Shin, Daisuke Kihara
Peptide–protein interactions (PepPIs) play a pivotal role in cellular signaling and regulation, representing a significant category of therapeutic agents. However, determining peptide–protein complex structures by experiment is costly and often challenging. Computational peptide-protein complex structure prediction, therefore, plays an important role in mapping binding modes and guiding design. Classical pipelines combine template-, local-, or global-docking conformational search algorithms with physics-based or empirical scoring, but they often struggle with highly flexible peptides, induced fit at shallow interfaces, and non-canonical chemistries. In this review, we describe an ongoing shift from such conventional search-and-score workflows to deep learning-based pipelines. We categorize the modern methods into three modules: (i) approaches that predict likely peptide-binding regions on the protein surface and use these predictions to guide or filter docking models; (ii) AlphaFold-based protocols that use general structure prediction methods for peptide–protein co-folding and refinement; and (iii) deep generative models that sample peptide conformations given a target protein structure. We highlight that recent methods have substantially improved the accuracy and applicability of peptide–protein docking, while also identifying shared remaining challenges, including limited avaiability of training data and weak performance on long, disordered, or chemically modified peptides. We conclude by outlining directions for integrating richer biophysical constraints, better-curated peptide–protein datasets, and large-scale generative models to move toward robust, design-ready peptide docking.
{"title":"Peptide–Protein Docking: From Physics-Based Models to Generative Intelligence","authors":"Kai Ling, Shu Li, Zicong Zhang, Woong-Hee Shin, Daisuke Kihara","doi":"10.1039/d6cc00583g","DOIUrl":"https://doi.org/10.1039/d6cc00583g","url":null,"abstract":"Peptide–protein interactions (PepPIs) play a pivotal role in cellular signaling and regulation, representing a significant category of therapeutic agents. However, determining peptide–protein complex structures by experiment is costly and often challenging. Computational peptide-protein complex structure prediction, therefore, plays an important role in mapping binding modes and guiding design. Classical pipelines combine template-, local-, or global-docking conformational search algorithms with physics-based or empirical scoring, but they often struggle with highly flexible peptides, induced fit at shallow interfaces, and non-canonical chemistries. In this review, we describe an ongoing shift from such conventional search-and-score workflows to deep learning-based pipelines. We categorize the modern methods into three modules: (i) approaches that predict likely peptide-binding regions on the protein surface and use these predictions to guide or filter docking models; (ii) AlphaFold-based protocols that use general structure prediction methods for peptide–protein co-folding and refinement; and (iii) deep generative models that sample peptide conformations given a target protein structure. We highlight that recent methods have substantially improved the accuracy and applicability of peptide–protein docking, while also identifying shared remaining challenges, including limited avaiability of training data and weak performance on long, disordered, or chemically modified peptides. We conclude by outlining directions for integrating richer biophysical constraints, better-curated peptide–protein datasets, and large-scale generative models to move toward robust, design-ready peptide docking.","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":"83 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2026-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147493144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Carolina M Ibarra-Barreno, Martina Crosta, Joel Deyerling, Alida J van Hunnik, Knud Seufert, Davide Bonifazi, Willi Auwärter, Petra Rudolf
On Au(111), an alkyne-terminated borazine derivative undergoes thermally induced cyclotrimerisation, forming nanoporous boron-nitrogen-carbon networks featuring regular BN-doped patterns, with borazine cores preserved during the reaction as characterised by scanning tunnelling microscopy (STM) and X-ray photoelectron spectroscopy (XPS).
{"title":"Nanoporous BNC network on Au(111) from a borazine-based arylalkyne.","authors":"Carolina M Ibarra-Barreno, Martina Crosta, Joel Deyerling, Alida J van Hunnik, Knud Seufert, Davide Bonifazi, Willi Auwärter, Petra Rudolf","doi":"10.1039/d5cc07416a","DOIUrl":"10.1039/d5cc07416a","url":null,"abstract":"<p><p>On Au(111), an alkyne-terminated borazine derivative undergoes thermally induced cyclotrimerisation, forming nanoporous boron-nitrogen-carbon networks featuring regular BN-doped patterns, with borazine cores preserved during the reaction as characterised by scanning tunnelling microscopy (STM) and X-ray photoelectron spectroscopy (XPS).</p>","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":" ","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12997529/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147471932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jianlong Ma, Jiahao An, Yunpeng Zuo, Huimin Jia, Wenbiao Zhang, Tingting Li
A carbon-nitrogen (CN) interface modification strategy was applied to iron-based catalysts for electrocatalytic nitrate reduction. The unique interface interactions resulted in enhanced NH3 selectivity with a Faradaic efficiency of 97.2%.
{"title":"Interface modulation boosts the nitrate reduction performance of iron-based catalysts.","authors":"Jianlong Ma, Jiahao An, Yunpeng Zuo, Huimin Jia, Wenbiao Zhang, Tingting Li","doi":"10.1039/d6cc00723f","DOIUrl":"https://doi.org/10.1039/d6cc00723f","url":null,"abstract":"<p><p>A carbon-nitrogen (CN) interface modification strategy was applied to iron-based catalysts for electrocatalytic nitrate reduction. The unique interface interactions resulted in enhanced NH<sub>3</sub> selectivity with a Faradaic efficiency of 97.2%.</p>","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":" ","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147471911","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jingwen Li, Ziqi Zhang, Zenghui Li, Jing Wang, Changyuan Xu, Jie Xiong, Ling Yue, Bin Rao
D●–A radicals 2a–2c were developed by combining a polychlorinated trityl as donor with a pyridinium as acceptor. The electron-deficient nature of the pyridinium unit significantly lowers LUMO energy, thereby enabling SOMO–LUMO (α-type) electronic transition, in contrast to conventional luminescent radicals that predominantly exhibit HOMO–SUMO (β-type) transition.
{"title":"D●–A Radicals Fabricated from Polychlorinated Trityl and Pyridinium Featuring a SOMO–LUMO Electronic Transition","authors":"Jingwen Li, Ziqi Zhang, Zenghui Li, Jing Wang, Changyuan Xu, Jie Xiong, Ling Yue, Bin Rao","doi":"10.1039/d6cc00928j","DOIUrl":"https://doi.org/10.1039/d6cc00928j","url":null,"abstract":"D<small><sup>●</sup></small>–A radicals 2a–2c were developed by combining a polychlorinated trityl as donor with a pyridinium as acceptor. The electron-deficient nature of the pyridinium unit significantly lowers LUMO energy, thereby enabling SOMO–LUMO (α-type) electronic transition, in contrast to conventional luminescent radicals that predominantly exhibit HOMO–SUMO (β-type) transition.","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":"14 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2026-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147492560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The selective 1,4-bromoboration of nitroalkenes occurs under mild conditions with a bromoborane featuring two 1-methyl-ortho-carborane substituents, BrBMeoCb2. The bromide is introduced on the β-carbon and the boryl moiety on the nitro group is bound to boron in a κ2 manner. Screening a variety of other haloboranes gave either no reaction or indiscernible mixtures indicating the necessity for the BrBMeoCb2 reagent. The haloboration reaction tolerates a variety of aryl functional groups as well as a hydrogen or methyl group on the α-carbon that all proceed with excellent regioselectivity and high isolated yields.
{"title":"1,4-Bromoboration of Nitroalkenes","authors":"Kanika Vashisth, Caleb Daniel Martin","doi":"10.1039/d6cc01239f","DOIUrl":"https://doi.org/10.1039/d6cc01239f","url":null,"abstract":"The selective 1,4-bromoboration of nitroalkenes occurs under mild conditions with a bromoborane featuring two 1-methyl-<em>ortho</em>-carborane substituents, BrB<small><sup>Me</sup></small><em>o</em>Cb<small><sub>2</sub></small>. The bromide is introduced on the <em>β</em>-carbon and the boryl moiety on the nitro group is bound to boron in a κ<small><sup>2</sup></small> manner. Screening a variety of other haloboranes gave either no reaction or indiscernible mixtures indicating the necessity for the BrB<small><sup>Me</sup></small><em>o</em>Cb<small><sub>2</sub></small> reagent. The haloboration reaction tolerates a variety of aryl functional groups as well as a hydrogen or methyl group on the <em>α</em>-carbon that all proceed with excellent regioselectivity and high isolated yields.","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":"31 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2026-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147492562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Aryl phosphorus compounds are indispensable motifs in organic synthesis, medicinal, and materials chemistry. Herein, we report a robust magnesium-mediated mechanochemical protocol for the room-temperature synthesis of aryl phosphine oxides through direct C-P bond formation. The reaction employs phosphoryl chlorides with aryl or alkyl halides under solvent-minimized milling conditions, providing a broad range of products in moderate to high yields. Preliminary mechanistic investigations suggest that the transformation proceeds through a radical-radical cross-coupling pathway.
{"title":"A mechanochemical construction of C-P bonds through radical-radical coupling.","authors":"Ruizhi Sun, Juxin Jiang, Wenhao Li, Zengdian Zhao, Dong Liu, Hui Liu, Lizhi Zhang","doi":"10.1039/d6cc00876c","DOIUrl":"https://doi.org/10.1039/d6cc00876c","url":null,"abstract":"<p><p>Aryl phosphorus compounds are indispensable motifs in organic synthesis, medicinal, and materials chemistry. Herein, we report a robust magnesium-mediated mechanochemical protocol for the room-temperature synthesis of aryl phosphine oxides through direct C-P bond formation. The reaction employs phosphoryl chlorides with aryl or alkyl halides under solvent-minimized milling conditions, providing a broad range of products in moderate to high yields. Preliminary mechanistic investigations suggest that the transformation proceeds through a radical-radical cross-coupling pathway.</p>","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":" ","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147502621","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Luis A Vázquez-Rivera, Jiaqi Shen, Gwendolyn Shingles, Guanwei Zhou, Wenjing Wang
Chemically gated protein switches have broad applications in regulating cellular activities. In this study, we introduce DuoSelect, a yeast surface selection platform for selecting protein switches based on signal-to-background ratios by combining both negative and positive selections in a single round of sorting. We demonstrate this platform's utility by selecting for two chemical-dependent protein switches and showcase the protein switch's application in cellular assays.
{"title":"A novel directed evolution platform for engineering chemically gated protein switches.","authors":"Luis A Vázquez-Rivera, Jiaqi Shen, Gwendolyn Shingles, Guanwei Zhou, Wenjing Wang","doi":"10.1039/d5cc06861d","DOIUrl":"10.1039/d5cc06861d","url":null,"abstract":"<p><p>Chemically gated protein switches have broad applications in regulating cellular activities. In this study, we introduce DuoSelect, a yeast surface selection platform for selecting protein switches based on signal-to-background ratios by combining both negative and positive selections in a single round of sorting. We demonstrate this platform's utility by selecting for two chemical-dependent protein switches and showcase the protein switch's application in cellular assays.</p>","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":" ","pages":"5975-5979"},"PeriodicalIF":4.2,"publicationDate":"2026-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12954488/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147343035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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