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Reaction: Building trust infrastructure for agentic experimental science beyond fragile eloquence 反应：超越脆弱的雄辩，为代理实验科学建立信任基础设施
IF 19.1 1区 化学
Chem Pub Date : 2026-08-13 Epub Date: 2026-07-30 DOI: 10.1016/j.chempr.2026.103163
Alán Aspuru-Guzik, Varinia Bernales
{"title":"Reaction: Building trust infrastructure for agentic experimental science beyond fragile eloquence","authors":"Alán Aspuru-Guzik,&nbsp;Varinia Bernales","doi":"10.1016/j.chempr.2026.103163","DOIUrl":"10.1016/j.chempr.2026.103163","url":null,"abstract":"<div><div>Alán Aspuru-Guzik is a professor of chemistry and computer science at the University of Toronto, a Canada 150 Research Chair in Theoretical Chemistry, CIFAR AI Chair at the Vector Institute, and director of the Acceleration Consortium. His research advances self-driving laboratories, quantum information, machine learning, molecular design, and autonomous discovery for energy and electronics. He co-founded Zapata AI, Kebotix, and Axiomatic AI; is the editor-in-chief of <em>Digital Discovery</em>; and is an APS, AAAS, and Royal Society of Canada fellow. Varinia Bernales is an assistant professor in computer science and chemistry at the University of Toronto and co-director of the Matter Lab, where she develops autonomous research agents for molecular and material discovery. Her work integrates quantum chemistry; machine learning; scientific automation; and artificial intelligence (AI) safety, alignment, and governance with applications in catalysis, materials, and chemistry. Prior to her current role, she worked at Dow Chemical and Underwriters Laboratories Research Institutes.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 8","pages":"Article 103163"},"PeriodicalIF":19.1,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148624232","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
Solid-state NMR provides location-specific information on the chemical environment inside MOF pores 固态核磁共振提供了MOF孔内化学环境的特定位置信息
IF 19.1 1区 化学
Chem Pub Date : 2026-08-13 Epub Date: 2026-03-17 DOI: 10.1016/j.chempr.2026.102949
Hao Deng, Marco Bengsch, Christophe Farès, Zihang Qiu, Mir Henglin, Constanze N. Neumann
{"title":"Solid-state NMR provides location-specific information on the chemical environment inside MOF pores","authors":"Hao Deng,&nbsp;Marco Bengsch,&nbsp;Christophe Farès,&nbsp;Zihang Qiu,&nbsp;Mir Henglin,&nbsp;Constanze N. Neumann","doi":"10.1016/j.chempr.2026.102949","DOIUrl":"10.1016/j.chempr.2026.102949","url":null,"abstract":"<div><div>Solid-state nuclear magnetic resonance (NMR) spectroscopy can capture the chemical inequivalence of differently shaped metal-organic framework (MOF) pores. We show that the chemical shifts of reporting substituents that extend a defined distance into a MOF pore reflect the pore shape. Comparison of porous coordination network (PCN)-222, PCN-224, and PCN-223 demonstrates that the same linker and node provide three distinct chemical environments in the three different types of pores present in the MOFs. The chemical inequivalence of differently positioned substituents ensures that NMR spectroscopy can reveal into which pore post-synthetically added ligands are facing, without a need for single crystals, and even if only 10% of nodes are functionalized. The operational facility with which location-resolved information can be obtained permits NMR to shed light on the thermodynamics and kinetics of mixed-linker MOF growth, the presence of defects, and the dynamic behavior of added ligands.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 8","pages":"Article 102949"},"PeriodicalIF":19.1,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147478922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Living polymers turn 70 活聚合物70岁
IF 19.1 1区 化学
Chem Pub Date : 2026-08-13 DOI: 10.1016/j.chempr.2026.103207
Virgil Percec
{"title":"Living polymers turn 70","authors":"Virgil Percec","doi":"10.1016/j.chempr.2026.103207","DOIUrl":"10.1016/j.chempr.2026.103207","url":null,"abstract":"<div><div>The discovery of living polymers has shaped the field of organic polymer chemistry for the past 70 years. This Backstory recounts Prof. Michael Szwarc’s account of the discovery and reviews earlier work from the Schlenk, Ziegler, and Scott laboratories. This historical evidence suggests that each of these laboratories could have independently discovered living polymers approximately 40 years earlier.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 8","pages":"Article 103207"},"PeriodicalIF":19.1,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148718573","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
Chem at 10: Junichiro Yamaguchi 10点化学课：山口淳一郎
IF 19.1 1区 化学
Chem Pub Date : 2026-08-13 DOI: 10.1016/j.chempr.2026.103158
Junichiro Yamaguchi
{"title":"Chem at 10: Junichiro Yamaguchi","authors":"Junichiro Yamaguchi","doi":"10.1016/j.chempr.2026.103158","DOIUrl":"10.1016/j.chempr.2026.103158","url":null,"abstract":"<div><div>In this interview with <em>Chem</em>, Junichiro Yamaguchi reflects on his unconventional journey to becoming an organic chemist, the mentors who inspired him, and the challenges he has faced throughout his career. He also discusses the importance of friendship and mentorship in science, his experiences with <em>Chem</em>, and his perspectives on research, education, community building, and sustaining a passion for science.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 8","pages":"Article 103158"},"PeriodicalIF":19.1,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148718566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Trading an atom for another: A new playbook for heterocycle synthesis 用一个原子交换另一个原子：杂环合成的新剧本
IF 19.1 1区 化学
Chem Pub Date : 2026-08-13 DOI: 10.1016/j.chempr.2026.103195
Yoonsu Park
{"title":"Trading an atom for another: A new playbook for heterocycle synthesis","authors":"Yoonsu Park","doi":"10.1016/j.chempr.2026.103195","DOIUrl":"10.1016/j.chempr.2026.103195","url":null,"abstract":"<div><div>Yoonsu Park received his B.S. and Ph.D. degrees in chemistry from the Korea Advanced Institute of Science and Technology (KAIST), completing his doctoral studies under the supervision of Prof. Sukbok Chang. He then pursued postdoctoral research with Prof. Paul J. Chirik at Princeton University, where he investigated visible light-driven catalysis and metalloradical reactivity. In 2022, he returned to KAIST to begin his independent career as an assistant professor in the Department of Chemistry and was promoted to associate professor in 2025. His research group focuses on developing sustainable catalysis such as single-atom skeletal editing reactions.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 8","pages":"Article 103195"},"PeriodicalIF":19.1,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148718568","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
Iridium-mediated methane dehydrogenation and methylidene (=CH2) transfer 铱介导的甲烷脱氢和甲基（=CH2）转移
IF 19.1 1区 化学
Chem Pub Date : 2026-08-13 Epub Date: 2026-04-07 DOI: 10.1016/j.chempr.2026.102999
Jonathan Martínez-Laguna, Inga L. Schmidtke, Andrea Monti, Raquel J. Rama, Daniel Sánchez-Rodas, M. Carmen Nicasio, Ainara Nova, Ana Caballero, Pedro J. Pérez
{"title":"Iridium-mediated methane dehydrogenation and methylidene (=CH2) transfer","authors":"Jonathan Martínez-Laguna,&nbsp;Inga L. Schmidtke,&nbsp;Andrea Monti,&nbsp;Raquel J. Rama,&nbsp;Daniel Sánchez-Rodas,&nbsp;M. Carmen Nicasio,&nbsp;Ainara Nova,&nbsp;Ana Caballero,&nbsp;Pedro J. Pérez","doi":"10.1016/j.chempr.2026.102999","DOIUrl":"10.1016/j.chempr.2026.102999","url":null,"abstract":"<div><div>During our investigations to develop homogeneous catalysts for methane functionalization, we have found that methane can be dehydrogenated under homogeneous conditions to form Ir=CH<sub>2</sub> units that can react further with benzene, producing toluene. This transformation adds to the limited scope of metal-catalyzed methane functionalization reactions. The same method can be applied to ethane, producing ethylbenzene. These transformations proceed via methylidene or ethylidene intermediates (Ir=CHR, R = H or Me), formed through a double dehydrogenation of methane or ethane, respectively. Experimental and theoretical investigations, including density functional theory analysis and microkinetic modeling, support the proposed mechanism. The discovery of methane dehydrogenation with iridium centers and the formation of methylidene (Ir=CH<sub>2</sub>) intermediates in homogeneous C–C coupling reactions could open novel avenues for the formation of hydrocarbons, eliminating the need for syngas required in the Fischer-Tropsch process.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 8","pages":"Article 102999"},"PeriodicalIF":19.1,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148718883","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
Out-of-equilibrium sensing with a chemically fueled molecular machine 用化学燃料分子机器进行非平衡传感
IF 19.1 1区 化学
Chem Pub Date : 2026-08-13 Epub Date: 2026-03-26 DOI: 10.1016/j.chempr.2026.102960
Maria-Carmen Temian, Benjamin M.W. Roberts, Stefan Borsley, Flavio della Sala, Zoe Ashbridge, David A. Leigh
{"title":"Out-of-equilibrium sensing with a chemically fueled molecular machine","authors":"Maria-Carmen Temian,&nbsp;Benjamin M.W. Roberts,&nbsp;Stefan Borsley,&nbsp;Flavio della Sala,&nbsp;Zoe Ashbridge,&nbsp;David A. Leigh","doi":"10.1016/j.chempr.2026.102960","DOIUrl":"10.1016/j.chempr.2026.102960","url":null,"abstract":"<div><div>Adaptive sensing underpins many biological processes. We present a strategy for artificial sensors that exploits the heightened responsiveness possible with out-of-equilibrium systems. We incorporate a Zn(II) allosteric binding site into a chemically fueled rotaxane information ratchet that catalyzes diisopropylcarbodiimide (DIC) hydration. Zn(II) coordination shifts the macrocycle distribution on the rotaxane axle, and this redistribution changes the catalytic rate of fuel-to-waste conversion. This couples Zn(II) binding to the nonequilibrium steady-state (NESS) macrocycle distribution produced by catalysis. As a result, the rate of catalysis can be used to measure the concentration of Zn(II) over a range that is inaccessible to titration experiments carried out at equilibrium. The strategy may prove useful for developing broad-range sensors that function through chemically fueled adaptive sensing.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 8","pages":"Article 102960"},"PeriodicalIF":19.1,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147519116","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Visible light steers carbonylation utilizing carbon monoxide toward diversification and practicalization 可见光引导羰基化利用一氧化碳走向多样化和实用化
IF 19.1 1区 化学
Chem Pub Date : 2026-08-13 Epub Date: 2026-06-23 DOI: 10.1016/j.chempr.2026.103070
Yuanrui Wang, Xiao-Feng Wu
{"title":"Visible light steers carbonylation utilizing carbon monoxide toward diversification and practicalization","authors":"Yuanrui Wang,&nbsp;Xiao-Feng Wu","doi":"10.1016/j.chempr.2026.103070","DOIUrl":"10.1016/j.chempr.2026.103070","url":null,"abstract":"<div><div>Photocatalytic carbonylation for synthesizing key carbonyl compounds represents an ideal approach that demonstrates both significant foresight and practical utility. In recent years, as photochemistry has advanced from the laboratory to the industrial frontier, interest in visible-light-mediated carbonylation reactions has surged dramatically. This review summarizes recent research progress on carbonylation under visible-light reaction systems. On the basis of core design principles, existing methods are categorized into four reaction systems: (1) transition metal-catalyzed carbon-metal bonding mechanism, (2) photocatalyst-induced direct single-electron transfer process, (3) synergistic photoredox and transition metal catalysis system, and (4) electron donor-acceptor complex photoactivation. For each category, we generalize the reaction protocols, elaborate on their synthetic applications, and discuss the underlying reaction mechanisms. Ultimately, this review aims to inspire the design of novel visible-light-induced carbonylation and promote the advancement of CO utilization in sustainable organic synthesis.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 8","pages":"Article 103070"},"PeriodicalIF":19.1,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148624220","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
Reaction: Electrochemistry needs agentic AI that explains as well as optimizes 反应：电化学需要能够解释和优化的人工智能
IF 19.1 1区 化学
Chem Pub Date : 2026-08-13 Epub Date: 2026-07-30 DOI: 10.1016/j.chempr.2026.103137
Yuxuan Fan, Chong Liu
{"title":"Reaction: Electrochemistry needs agentic AI that explains as well as optimizes","authors":"Yuxuan Fan,&nbsp;Chong Liu","doi":"10.1016/j.chempr.2026.103137","DOIUrl":"10.1016/j.chempr.2026.103137","url":null,"abstract":"<div><div>Yuxuan Fan is a visiting undergraduate student in the Chong Liu group, where he studies the automation of electrochemical systems. Chong Liu is a professor in the Department of Chemistry and Biochemistry at the University of California, Los Angeles. He received his BS in chemistry from Fudan University and his PhD in chemistry from the University of California, Berkeley, and then conducted postdoctoral research at Harvard University. His research integrates electrochemistry, nanomaterials, machine learning, and artificial intelligence for the design of electrochemical systems for energy, biology, and the environment.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 8","pages":"Article 103137"},"PeriodicalIF":19.1,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148624259","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
Nanotechnology to program biomolecular function 纳米技术编程生物分子功能
IF 19.1 1区 化学
Chem Pub Date : 2026-08-13 DOI: 10.1016/j.chempr.2026.103190
Devleena Samanta
{"title":"Nanotechnology to program biomolecular function","authors":"Devleena Samanta","doi":"10.1016/j.chempr.2026.103190","DOIUrl":"10.1016/j.chempr.2026.103190","url":null,"abstract":"<div><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (281KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div><div>Devleena Samanta is an assistant professor of chemistry at The University of Texas at Austin (UT Austin), an associate member of the UT Austin Cancer Research Institute, and a member of the Texas Materials Institute. She received her Ph.D. from Stanford University and completed postdoctoral training at Northwestern University. Her laboratory develops nanoscale tools to sense and program biomolecular function, with applications in diagnostics, therapeutics, and biocatalysis. She is a 2024 Packard Fellow for Science and Engineering and a 2026 Cottrell Scholar.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 8","pages":"Article 103190"},"PeriodicalIF":19.1,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148718567","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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