ACS Central Science最新文献_第2页

Programmed Remote Cyano Migration Yields Cyanamides as Potent Ferroptosis Inducers 程式化的远端氰迁移产生氰酰胺作为强效的铁下垂诱导剂

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-10-28 Epub Date: 2026-10-08 DOI: 10.1021/acscentsci.6c01644

Peng Xu, Zhijie Deng

引用次数: 0

Outer-Sphere Hydrogen Bonds Amplify Mutual Actinide Separation 外球面氢键放大相互锕系元素分离

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-10-28 Epub Date: 2026-09-18 DOI: 10.1021/acscentsci.6c01133

Bin Li, Zhiyuan Zeng, Ziyi Zhang, Yu Kang, Zehui Xu, Xiaoyan Tang, Li Wang, Chao Xu

{"title":"Outer-Sphere Hydrogen Bonds Amplify Mutual Actinide Separation","authors":"Bin Li, Zhiyuan Zeng, Ziyi Zhang, Yu Kang, Zehui Xu, Xiaoyan Tang, Li Wang, Chao Xu","doi":"10.1021/acscentsci.6c01133","DOIUrl":"https://doi.org/10.1021/acscentsci.6c01133","url":null,"abstract":"Mutual actinide separationis critical for nuclear wasteremediation,superheavy-element production, and f-block-element-based radiopharmaceuticals,yet it remains a formidable challenge owing to the high chemical similarityof these elements and the harsh conditions typically encountered,such as high acidity and intense radioactivity. Here, we show thatcombining lipophilic TODGA with the histidine-decoratedhydrophilic ligand Phen-2DIHis enables the efficientseparation of Am(III), Cm(III), and Cf(III) under highly acidic conditions.This system provides substantially enhanced separation factors forboth Am(III)/Cf(III) (383) and Cm(III)/Cf(III) (36.9) compared tobenchmark methods while maintaining practical metal distributionsby directing the targeted actinide ions into opposite phases. Spectroscopictitrations and slope analyses support predominant 1:1 metal–ligandcomplexation. Theoretical calculations further suggest that nitrate-involvedouter-sphere hydrogen bonding from the histidine termini may contributeunexpectedly to the thermodynamic bias for separation processes. Theseresults highlight weak interactions beyond the inner coordinationsphere as a critical design handle for mutual actinide separationunder strongly acidic conditions.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"12 10","pages":"1637–1646"},"PeriodicalIF":11.1,"publicationDate":"2026-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149305848","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

Plant-Based Proteins Have a Flavor Issue. Chemists Can Help with That 植物蛋白有味道问题。化学家可以帮上忙

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-10-28 Epub Date: 2026-09-16 DOI: 10.1021/acscentsci.6c01502

Carolyn Wilke

引用次数: 0

How Interstellar Gas and Ice Build Organic Molecules 星际气体和冰是如何形成有机分子的

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-10-28 Epub Date: 2026-10-14 DOI: 10.1021/acscentsci.6c01683

Nadia Balucani

引用次数: 0

RNA Synthesis and Degradation Regulate Biomolecular Condensates through Nonequilibrium Feedback RNA合成和降解通过非平衡反馈调节生物分子凝聚

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-10-28 Epub Date: 2026-10-06 DOI: 10.1021/acscentsci.6c00933

Ignacio Sanchez-Burgos, Andrés R. Tejedor, Alberto Ocana, Jorge R. Espinosa, Rosana Collepardo-Guevara

{"title":"RNA Synthesis and Degradation Regulate Biomolecular Condensates through Nonequilibrium Feedback","authors":"Ignacio Sanchez-Burgos, Andrés R. Tejedor, Alberto Ocana, Jorge R. Espinosa, Rosana Collepardo-Guevara","doi":"10.1021/acscentsci.6c00933","DOIUrl":"https://doi.org/10.1021/acscentsci.6c00933","url":null,"abstract":"Transcriptional condensates operate far from equilibrium,wherecontinuous RNA synthesis and degradation dynamically reshape condensatecomposition. To investigate how RNA synthesis regulates condensateproperties at submolecular resolution, we introduce REACT-RNA, a chemicallyspecific coarse-grained molecular dynamics framework that explicitlycouples RNA polymerization, degradation, and nucleotide fluxes tosequence-dependent protein–RNA phase behavior and apply itto FUS and MED1 condensates. We find that RNA polymerization occurspreferentially at condensate interfaces because interfaces promotea highly reactive microenvironment that combines nucleotide influx,enrichment of reactive RNA chain ends, and enhanced molecular dynamics.Interfacial RNA polymerization generates a spatially organized RNApopulation, with newly synthesized short RNAs enriched near the interfaceand longer RNAs partitioning toward the condensate core, which decreasesthe interfacial free energy and promotes multivalent RNA–proteininteractions. As RNA concentration and chain length evolve over time,condensate composition, density, and stability change dynamicallyin response. Sustained RNA polymerization drives re-entrant condensatedissolution, even of aged gel-like condensates, whereas RNA degradationstabilizes long-lived nonequilibrium condensates containing elevatedRNA content. Our results suggest that RNA synthesis, degradation,and nucleotide fluxes drive transcriptional condensates out of thermodynamicequilibrium, while condensates in turn promote reactive molecularconfigurations that favor RNA production, enabling transient accumulationof RNA-rich compositional imbalance during bursts of transcription.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"12 10","pages":"1672–1685"},"PeriodicalIF":11.1,"publicationDate":"2026-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149305631","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

On-Demand Photoprotection by UV-Transparent Small Molecules via Aggregation-Induced Absorption: The Origin and Modern Application 通过聚集诱导吸收的紫外透明小分子的按需光防护：起源和现代应用

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-09-23 Epub Date: 2026-08-17 DOI: 10.1021/acscentsci.6c01033

Bing-Yue Zhao, Yao Hui, Wan-Jun Qin, Qing Liu, Xiao Wang

{"title":"On-Demand Photoprotection by UV-Transparent Small Molecules via Aggregation-Induced Absorption: The Origin and Modern Application","authors":"Bing-Yue Zhao, Yao Hui, Wan-Jun Qin, Qing Liu, Xiao Wang","doi":"10.1021/acscentsci.6c01033","DOIUrl":"https://doi.org/10.1021/acscentsci.6c01033","url":null,"abstract":"A central challenge across modern chemistry, biology,materialsscience, and origins-of-life research is obtaining a balance betweenharnessing beneficial photoreactions and minimizing detrimental photodamage.Here, we have discovered an aggregation-induced photoprotection pathwayprovided by nonconjugated small molecules. Although conventionallyclassified as UV-transparent due to the lack of chromophores, thesemolecules are found to form supramolecular assemblies at elevatedconcentrations and develop emergent UV-absorbing properties, likelyvia slip-stacked J-aggregation, as confirmed by multiple spectroscopiccharacterizations. Density functional theory calculations furtherelucidated the mechanism of the observed concentration-dependent absorption.A predictive structure–property relationship has been proposed.Regulated by concentration, this effect can smartly allow necessaryphotoreactions while shielding critical biomolecules from excessiveUV radiation. It also suggests that self-photoprotection of the aggregatablemolecules could have enabled their prebiotic survival and enduringpresence under harsh UV conditions. Furthermore, these findings promptedus to develop a convenient and noninvasive photoprotection strategyfor contemporary plastic materials using inexpensive and environmentallyfriendly small agents.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"12 9","pages":"1489–1503"},"PeriodicalIF":11.1,"publicationDate":"2026-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149027887","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

Reconsidering Excellence in the Chemical Sciences: Lessons from First-Generation Chemists 重新思考卓越的化学科学：来自第一代化学家的教训

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-09-23 DOI: 10.1021/acscentsci.6c00822

Robert A. Ives, David N. Azulay, Adam Cook, Mamta Dagar, Douglas J. Fansher, Roshan Keshari, Anupam Anand Ojha, Shivani Patel, Christian Sandoval-Pauker, Nitesh Sanghai, Brittany K. Trinh, Vishal Yadav, Zhiling Zheng

引用次数: 0

Design of Epitope-Focused Vaccines via Epitope Cleavage 通过表位切割设计表位聚焦疫苗

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-09-23 Epub Date: 2026-07-17 DOI: 10.1021/acscentsci.6c00476

Dominic M. Pham, Rebekah M. Costello, Theodora U. J. Bruun, Peter S. Kim

{"title":"Design of Epitope-Focused Vaccines via Epitope Cleavage","authors":"Dominic M. Pham, Rebekah M. Costello, Theodora U. J. Bruun, Peter S. Kim","doi":"10.1021/acscentsci.6c00476","DOIUrl":"https://doi.org/10.1021/acscentsci.6c00476","url":null,"abstract":"The design of epitope-focusedimmunogens that steer serumantibodyresponses toward epitopes targeted by broadly neutralizing antibodies(bnAbs) is a promising approach to develop broad-spectrum vaccinesagainst pathogens with high genetic variability. Here, we introducea strategy called epitope cleavage, which involves “cleaving”an epitope to steer antibodies away from it onto other regions ofan antigen. We demonstrated the utility of epitope cleavage usingtwo independent approaches: circular permutation and proteolytic cleavage.We first designed a sarbecovirus vaccine candidate by circularly permutingthe receptor binding domain (RBD) of the severe acute respiratorysyndrome coronavirus 2 (SARS-CoV-2) spike protein; we next designedbroad Ebolavirus immunogens by inserting the TEV protease cleavagesite into the glycan cap of Ebola glycoprotein (GP) for site-specificepitope cleavage. By cleaving variable regions on each antigen, boththe circular permuted RBD and cleaved GPs elicited antibodies withenhanced cross-reactivity to related viruses compared to unmodifiedantigen and exhibited a reduction in antibody responses toward the“cleaved” epitope. Our results present epitope cleavageas a vaccine design strategy that redirects antibody responses withoutcompromising immunogenicity.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"12 9","pages":"1348–1359"},"PeriodicalIF":11.1,"publicationDate":"2026-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149022715","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

Contact Electrification of Individual Water Microdroplets Inside Mass Spectrometers Leads to Extensive Oxidation or Reduction Irrespective of Initial Droplet Charge or Polarity 质谱仪内单个水微滴的接触通电导致广泛的氧化或还原，而不考虑初始液滴的电荷或极性

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-09-23 Epub Date: 2026-09-07 DOI: 10.1021/acscentsci.6c00443

Matthew S. McPartlan, Casey J. Chen, Evan R. Williams

{"title":"Contact Electrification of Individual Water Microdroplets Inside Mass Spectrometers Leads to Extensive Oxidation or Reduction Irrespective of Initial Droplet Charge or Polarity","authors":"Matthew S. McPartlan, Casey J. Chen, Evan R. Williams","doi":"10.1021/acscentsci.6c00443","DOIUrl":"https://doi.org/10.1021/acscentsci.6c00443","url":null,"abstract":"Charged water microdroplets that are aerodynamicallyacceleratedupon introduction into an atmospheric sampling mass spectrometer interfacecan undergo glancing collisions that lead to surprising electrochemicalprocesses. A custom charge detection instrument with a 24-elementdetector array is used to determine the outcomes of glancing collisionsof individual charged water microdroplets with stainless-steel surfacesover a well-defined and narrow angle of ∼0.15° ±0.03°. Water droplets entering the high-vacuum region with anglesof <0.11° pass through the detector unimpeded and have kineticenergies in the MeV range depending on droplet size due to aerodynamicacceleration alone. Droplets that have glancing surface collisionsundergo extensive oxidation or reduction through the removal or additionof up to tens of thousands of electrons per collision, independentof their initial charge or polarity, although some ion transfer mayalso play a role. The propensity for these two electrochemical processesappears stochastic, although more highly charged droplets appear toundergo charge reduction more readily. These results clearly demonstratethat highly energetic electrochemical processes of any type can occurwithin charged or uncharged aqueous microdroplets of any polaritythat are introduced into mass spectrometers and may explain the observationof some unusual ions that have been reported in some microdropletreaction studies.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"12 9","pages":"1338–1347"},"PeriodicalIF":11.1,"publicationDate":"2026-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149022751","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

Integrated Scaffold Redesign and iPSC-Based Screening Reveal Potent Antifibrotic Artemisinin Analogs in Systemic Sclerosis Models 综合支架重新设计和基于ipsc的筛选揭示系统性硬化症模型中有效的抗纤维化青蒿素类似物

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-09-23 Epub Date: 2026-09-12 DOI: 10.1021/acscentsci.6c00658

Takehiro Ishiga, Tetsuya Ikawa, Nobuto Kaneko, Norihito Takahashi, Krishanu Mondal, Yasuhiro Nakano, Yutaro Hori, Atsushi Miyajima, Taketomo Kido, Yoshihide Asano, Hiroki Oguri

{"title":"Integrated Scaffold Redesign and iPSC-Based Screening Reveal Potent Antifibrotic Artemisinin Analogs in Systemic Sclerosis Models","authors":"Takehiro Ishiga, Tetsuya Ikawa, Nobuto Kaneko, Norihito Takahashi, Krishanu Mondal, Yasuhiro Nakano, Yutaro Hori, Atsushi Miyajima, Taketomo Kido, Yoshihide Asano, Hiroki Oguri","doi":"10.1021/acscentsci.6c00658","DOIUrl":"https://doi.org/10.1021/acscentsci.6c00658","url":null,"abstract":"Fibrotic diseasesremain among the most intractable humandisorders,largely due to the absence of therapies capable of directly modulatingthe core cellular programs that drive pathological matrix depositionand tissue remodeling. To address this unmet medical need, we reportan integrated, chemistry-driven discovery platform for function-orientedmolecular design and discovery that combines scaffold redesign ofa classical natural product pharmacophore with human induced pluripotentstem cell (iPSC)-based phenotypic screening to identify potent antifibroticagents. Systematic modification of the artemisinin scaffold led tothe identification of 6-aza-artemisinins with markedly enhanced antifibroticactivity, including an N6–N6′ dimeric analog exhibitinghigh potency at sub-micromolar concentrations. These compounds suppressedcollagen production in systemic sclerosis patient-derived fibroblastsand ameliorated fibrosis in a bleomycin-induced murine model, withsuperior efficacy relative to the clinically used antimalarial drugartesunate. Notably, efficacy was observed even when treatment wasinitiated after fibrosis establishment. Transcriptomic analysis revealedcoordinated suppression of core fibrotic and inflammatory pathways,providing mechanistic insight into the observed therapeutic effects.Collectively, these findings establish 6-aza-artemisinins as a newchemotype for antifibrotic intervention and illustrate how scaffold-levelredesign of natural products, integrated with disease-relevant stem-cell-basedmodels, can enable next-generation function-driven therapeutic discovery.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"12 9","pages":"1372–1384"},"PeriodicalIF":11.1,"publicationDate":"2026-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149027962","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