ACS Central Science最新文献

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

Triethyl Phosphate Enables Regulated Solvation Structure and Robust Anode Interphase in Dual-Salt Mg(OTf)2-MgCl2 Electrolytes for Rechargeable Magnesium Batteries 磷酸三乙酯可调节可充电镁电池中双盐Mg(OTf)2-MgCl2电解质的溶剂化结构和坚固的阳极界面

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-09-23 Epub Date: 2026-09-07 DOI: 10.1021/acscentsci.6c01164

Yan Liu, Li Qian, Xiaogang Li, Yuqing Tian, Jiaping Ma, Siyu Song, Yixian Zhang, Aihua Yuan, Huajun Tian

{"title":"Triethyl Phosphate Enables Regulated Solvation Structure and Robust Anode Interphase in Dual-Salt Mg(OTf)2-MgCl2 Electrolytes for Rechargeable Magnesium Batteries","authors":"Yan Liu, Li Qian, Xiaogang Li, Yuqing Tian, Jiaping Ma, Siyu Song, Yixian Zhang, Aihua Yuan, Huajun Tian","doi":"10.1021/acscentsci.6c01164","DOIUrl":"https://doi.org/10.1021/acscentsci.6c01164","url":null,"abstract":"Rechargeable magnesiumbatteries are promising next-generationenergy storage systems owing to the low cost and high natural abundanceof magnesium. However, their practical application is critically impededby the parasitic decomposition of conventional electrolytes at theMg anode, leading to the formation of a passivation layer, high desolvationbarriers, and poor cycling stability. Herein, triethyl phosphate (TEP)is introduced as a cosolvent into the Mg(OTf)2 + MgCl2-DME electrolyte to regulate solvation structures and interfacialchemistry. Comprehensive spectroscopic and electrochemical analysesreveal that TEP facilitates salt dissociation and reconstructs theMg2+ solvation structure, thereby reducing the desolvationbarrier and promoting ion transport. Meanwhile, TEP contributes tothe formation of a stable and robust solid electrolyte interphaseon the Mg anode, effectively suppressing side reactions and enablinguniform Mg deposition. The Mg||Mg symmetric cell exhibits stable cyclingfor over 3500 h with an overpotential below 0.2 V at 0.1 mA cm–2 and 0.05 mAh cm–2. The Mg||Mo asymmetric cell delivers a Coulombic efficiency of 99.4%after 3000 h at 0.5 mA cm–2 and 0.25 mAh cm–2. Furthermore, the Mg||α-MnO2 fullcell maintains a discharge capacity of 176.9 mAh g–1 after 350 cycles at 0.1 C. This work provides a solvation-regulationstrategy for designing high-performance Mg electrolytes.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"12 9","pages":"1526–1538"},"PeriodicalIF":11.1,"publicationDate":"2026-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149027969","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

Hyphenated Mass Spectrometry-Based Strategies for Characterizing Oligomers of α-Synuclein in Parkinson’s Disease 基于联用质谱的帕金森病α-突触核蛋白低聚物表征策略

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-09-23 Epub Date: 2026-08-20 DOI: 10.1021/acscentsci.6c00514

Raya Sadighi, Andrea Istrati, Sigourney Karijodikoro, Guus Scheefhals, Melissa Baerenfaenger, Anouk M. Rijs

{"title":"Hyphenated Mass Spectrometry-Based Strategies for Characterizing Oligomers of α-Synuclein in Parkinson’s Disease","authors":"Raya Sadighi, Andrea Istrati, Sigourney Karijodikoro, Guus Scheefhals, Melissa Baerenfaenger, Anouk M. Rijs","doi":"10.1021/acscentsci.6c00514","DOIUrl":"https://doi.org/10.1021/acscentsci.6c00514","url":null,"abstract":"The pathological aggregation of α-synuclein (α-syn),an intrinsically disordered protein that regulates synaptic vesicletrafficking in the brain, is a defining molecular feature in Parkinson’sdisease (PD). Early oligomeric assemblies are widely considered themost neurotoxic species, yet their structural features remain unexploreddue to their low abundance, transient, and fragile nature. Here, weestablish a trapped ion mobility-mass spectrometry (TIMS-MS) strategythat enables direct detection and structural interrogation of theseoligomers. Low-flow size exclusion chromatography provides MS-compatibledesalting and reveals broad ensemble-level differences between freshand aggregated α-syn. Native TIMS-MS measurements uniquely probenumerous higher-order oligomers, thereby revealing a reduced conformationalheterogeneity with increasing oligomer size, supporting a linear β-strand-typeassembly pathway. These findings show that oligomerization drivesa transition from dynamic monomers to increasingly ordered intermediates.This progressive rigidification is relevant to models in which α-synoligomerization alters normal membrane engagement during PD-associatedaggregation.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"12 9","pages":"1360–1371"},"PeriodicalIF":11.1,"publicationDate":"2026-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149022691","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

Aggregation-Induced Emission Luminogens Based on Restriction of Intramolecular Vibration 基于分子内振动限制的聚集致发射发光物质

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-09-23 Epub Date: 2026-09-10 DOI: 10.1021/acscentsci.6c01118

Andreis Lau, Zhan Yang, Bo Wu, Qian Wu, Zheng Zhao, Ben Zhong Tang

{"title":"Aggregation-Induced Emission Luminogens Based on Restriction of Intramolecular Vibration","authors":"Andreis Lau, Zhan Yang, Bo Wu, Qian Wu, Zheng Zhao, Ben Zhong Tang","doi":"10.1021/acscentsci.6c01118","DOIUrl":"https://doi.org/10.1021/acscentsci.6c01118","url":null,"abstract":"Over the past two decades, high-performance materialswith aggregation-inducedemission (AIE) characteristics have emerged as indispensable componentsin modern functional materials science. Among them, AIEgens basedon the restriction of the intramolecular rotation (RIR) mechanismhave been thoroughly studied and developed. AIEgens operating viathe restriction of the intramolecular vibration (RIV) mechanism haveemerged as a promising yet underexplored class; however, they remainconstrained by a limited repertoire of molecular scaffolds and poorlydefined design principles. This outlook categorizes reported RIV-typeAIEgens into four types based on a geometry-oriented classificationof molecular deformation modes: structural inversion driven by aromaticity,bending, twisting, and molecular bond vibration. The representativestructures and underlying RIV mechanisms are elaborated in detail,aiming to establish a framework for the rational design and functionalexpansion of next-generation RIV-type AIEgens, with the ultimate goalof broadening their applications in optoelectronics and biomaterials.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"12 9","pages":"1317–1337"},"PeriodicalIF":11.1,"publicationDate":"2026-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149022813","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}

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Adamantyl-BOX Ligand Enabling Stereoselective Synthesis of Axially Chiral Aldehydes Bearing Vicinal Stereogenic Centers Adamantyl-BOX配体能立体选择性合成具有邻近立体中心的轴手性醛

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-09-23 Epub Date: 2026-09-09 DOI: 10.1021/acscentsci.6c01081

Er-Jun Hao, Xiao-Bo Ding, Jing-Ran Shan, Zhixian Wu, Xin Wang, Renxu Cao, Fangyi Jin, K. N. Houk, Lei Shi

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He Cracked Malaria’s Genome in Mali. Now He’s Advising the UN 他在马里破解了疟疾的基因组。现在他是联合国的顾问

IF 11.1 1区化学

ACS Central Science Pub Date : 2026-09-23 Epub Date: 2026-06-26 DOI: 10.1021/acscentsci.6c01035

Scovian Lillian

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