IF 19.6 1区化学

Chem Pub Date : 2026-03-12 Epub Date: 2025-10-15 DOI: 10.1016/j.chempr.2025.102781

Ho-Yin Tse , Hanno C. Erythropel , Andreas Backhaus , Darren S. Lee , Shun Cheung Cheng , Chi Shun Yeung , David Lee Phillips , Julie B. Zimmerman , Paul T. Anastas

{"title":"Renewably sourced amino-acid- and lignin-based solid-state emitters","authors":"Ho-Yin Tse , Hanno C. Erythropel , Andreas Backhaus , Darren S. Lee , Shun Cheung Cheng , Chi Shun Yeung , David Lee Phillips , Julie B. Zimmerman , Paul T. Anastas","doi":"10.1016/j.chempr.2025.102781","DOIUrl":"10.1016/j.chempr.2025.102781","url":null,"abstract":"<div><div>The development of sustainable solid-state emitters remains challenging because of the reliance on toxic metals, complex synthetic procedures, and non-renewable starting materials. This study demonstrates the development of solid-state emitters based on lignin, a renewable byproduct of the paper industry, and the amino acid histidine or its methyl ester through simple anti-solvent crystallization under mild conditions. The prepared materials exhibited excited-state proton transfer (ESPT)-induced fluorescence and achieved optimal performance at 0.43–0.62 mol % phenolic hydroxyl content. Notably, the lignin/histidine methyl ester emitter displayed room-temperature afterglow phosphorescence with lifetimes of up to 359 ms without requiring heavy atoms for intersystem crossing. Using powder X-ray diffraction (pXRD) and ultraviolet-visible (UV-vis) data, we postulate that the histidine methyl ester host matrix provides sufficient framework rigidity and H-aggregation to enable efficient intersystem crossing and triplet-excited-state stabilization. This work offers a sustainable strategy for tunable and renewably sourced solid-state photoluminescent materials for a variety of applications.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 3","pages":"Article 102781"},"PeriodicalIF":19.6,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289329","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

Selective recognition of quaternary ammonium cations 季铵离子的选择性识别

IF 19.6 1区化学

Chem Pub Date : 2026-03-12 Epub Date: 2026-02-25 DOI: 10.1016/j.chempr.2025.102876

Callum S. Begg , Mark P. Walsh , Joseph M. Phelps , Emma H. Wolpert , Alexander D. Lee , Emanuella F. Fiandra , Emma F.G. Winful , Abby R. Haworth , Dmitry S. Yufit , Juan A. Aguilar , Toby J. Blundell , Karen E. Johnston , Clare S. Mahon , Kim E. Jelfs , Matthew O. Kitching

{"title":"Selective recognition of quaternary ammonium cations","authors":"Callum S. Begg , Mark P. Walsh , Joseph M. Phelps , Emma H. Wolpert , Alexander D. Lee , Emanuella F. Fiandra , Emma F.G. Winful , Abby R. Haworth , Dmitry S. Yufit , Juan A. Aguilar , Toby J. Blundell , Karen E. Johnston , Clare S. Mahon , Kim E. Jelfs , Matthew O. Kitching","doi":"10.1016/j.chempr.2025.102876","DOIUrl":"10.1016/j.chempr.2025.102876","url":null,"abstract":"<div><div>The selective recognition of ammonium cations fundamentally relies on their degree of substitution. In biological systems, proteins can preferentially bind more substituted ammonium cations over less substituted homologs. By contrast, the stronger hydrogen-bond donor ability and enhanced cation-π interactions of less substituted cations would predict the preferential recognition of these species. Here, we show that combining supramolecular recognition with solid-phase abstraction enables the selective abstraction of quaternary ammonium cations across diverse cation scaffolds in the solid crystalline state. Quaternary ammonium cations access a lower-energy solid state than tertiary counterparts through multipoint binding to an adaptive array of isostructural BINOL·counterion networks. The preferential abstraction of quaternary ammonium cations from mixtures of homologous cations proceeds under thermodynamic control with excellent selectivity and remains operative even under aqueous conditions.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 3","pages":"Article 102876"},"PeriodicalIF":19.6,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147330077","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

Precisely modulating Li2CO3 coverage on Ni-rich cathode boosts sulfide solid-state lithium battery performance 精确调节富镍阴极上Li2CO3的覆盖范围可提高硫化物固态锂电池的性能

IF 19.6 1区化学

Chem Pub Date : 2026-03-12 Epub Date: 2025-10-14 DOI: 10.1016/j.chempr.2025.102775

Yiman Feng (冯依曼) , Zhixing Wang , Hongling Yi , Yucen Yan , Gui Luo , Duo Deng , Wenjie Peng , Xiaoping Zhou , Wenchao Zhang , Hui Duan , Feixiang Wu , Jiexi Wang (王接喜)

{"title":"Precisely modulating Li2CO3 coverage on Ni-rich cathode boosts sulfide solid-state lithium battery performance","authors":"Yiman Feng (冯依曼) , Zhixing Wang , Hongling Yi , Yucen Yan , Gui Luo , Duo Deng , Wenjie Peng , Xiaoping Zhou , Wenchao Zhang , Hui Duan , Feixiang Wu , Jiexi Wang (王接喜)","doi":"10.1016/j.chempr.2025.102775","DOIUrl":"10.1016/j.chempr.2025.102775","url":null,"abstract":"<div><div>All-solid-state lithium batteries (ASSLBs) equipped with Ni-rich layered oxide cathodes (NRLOs, Ni content ≥ 80%) exhibit promising electrochemical performance. However, there is significant controversy regarding the role of carbonate species on the surface of NRLOs. This study explores the impact of surface lithium carbonate (Li<sub>2</sub>CO<sub>3</sub>) on NRLOs in sulfide ASSLBs using carbon dioxide (CO<sub>2</sub>) atmosphere treatment to precisely control the amount of Li<sub>2</sub>CO<sub>3</sub>. As an electronic insulator, Li<sub>2</sub>CO<sub>3</sub> suppresses space-charge effects and interfacial side reactions with the sulfide solid electrolyte, enhancing cycling stability. Surprisingly, the ASSLB with the NRLO exposed to CO<sub>2</sub> for 20 min demonstrates a capacity of 144 mAh g<sup>−1</sup> at 2 C and maintains the capacity retention of 95.8% after 200 cycles at 0.5 C. However, excessive Li<sub>2</sub>CO<sub>3</sub> impedes ion kinetics, reduces capacity, and promotes CO<sub>2</sub> release that degrades electrolyte integrity, leading to rapid failure. The results highlight the critical balance required in surface carbonate regulation for achieving high-energy-density sulfide ASSLBs.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 3","pages":"Article 102775"},"PeriodicalIF":19.6,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147428674","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

Stereoselective hydroarylation of secondary allylic alcohols via a “transient shielding” mechanism 通过“瞬态屏蔽”机制的仲烯丙醇立体选择性氢化芳基化

IF 19.6 1区化学

Chem Pub Date : 2026-03-12 Epub Date: 2025-10-24 DOI: 10.1016/j.chempr.2025.102791

Peng-Bo Bai , Liwei Wang , Chun-Yuan Bai , Jia-Yi Li , Xin-Xin Yang , Chen Yang , Xianglu Peng , Xiaotian Qi , Gang-Wei Wang

{"title":"Stereoselective hydroarylation of secondary allylic alcohols via a “transient shielding” mechanism","authors":"Peng-Bo Bai , Liwei Wang , Chun-Yuan Bai , Jia-Yi Li , Xin-Xin Yang , Chen Yang , Xianglu Peng , Xiaotian Qi , Gang-Wei Wang","doi":"10.1016/j.chempr.2025.102791","DOIUrl":"10.1016/j.chempr.2025.102791","url":null,"abstract":"<div><div>The hydroarylation of alkenes is a powerful approach for introducing aryl functionality into chemical feedstocks. However, its application to alkenes bearing a pre-existing C(sp³) stereocenter remains challenging because of the need for simultaneous control over regio- and stereoselectivity. Herein, we report a Ni-catalyzed, redox-neutral hydroarylation (and hydroalkenylation) of diverse secondary allylic alcohols using aryl (and alkenyl) boronic acids. This method, enabled by a unique “transient shielding” mechanism, affords branched products with excellent chemo-, regio-, and diastereoselectivity. Notably, when readily available enantioenriched allylic alcohols are employed, the reaction furnishes enantiopure <em>β</em>-phenethyl alcohols featuring vicinal tertiary-tertiary or tertiary-quaternary stereocenters. Moreover, when combined with a simple redox sequence, this method allows for the enantiodivergent synthesis of all four possible stereoisomers of the product. Experimental studies and detailed density functional theory (DFT) calculations support the proposed mechanism.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 3","pages":"Article 102791"},"PeriodicalIF":19.6,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147428675","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

Photovoltaic potential of nitro-functionalized non-fullerene acceptors depends on its bonding site 硝基功能化非富勒烯受体的光伏电势取决于其成键位置

IF 19.6 1区化学

Chem Pub Date : 2026-03-12 Epub Date: 2025-10-10 DOI: 10.1016/j.chempr.2025.102756

Mingpeng Li , Waqar Ali Memon , Zihao Deng , Huan Wang , Shilong Xiong , Heng Li , Top Archie Dela Peña , Cuifen Zhang , Yunpeng Wang , Jiaying Wu , Zaifei Ma , Nan Zheng , Leilei Tian , Feng He

{"title":"Photovoltaic potential of nitro-functionalized non-fullerene acceptors depends on its bonding site","authors":"Mingpeng Li , Waqar Ali Memon , Zihao Deng , Huan Wang , Shilong Xiong , Heng Li , Top Archie Dela Peña , Cuifen Zhang , Yunpeng Wang , Jiaying Wu , Zaifei Ma , Nan Zheng , Leilei Tian , Feng He","doi":"10.1016/j.chempr.2025.102756","DOIUrl":"10.1016/j.chempr.2025.102756","url":null,"abstract":"<div><div>Nitration is rarely employed to optimize non-fullerene acceptors (NFAs) owing to the pronounced steric hindrance and strong electron-withdrawing inductive effects of nitro groups. This study presents a site-specific nitration strategy to systematically modulate NFA properties and photovoltaic performance. A series of nitrated and non-nitrated NFAs were synthesized, exhibiting distinct energy levels, molecular configurations, and packing modes. Notably, the quasi-planar heterojunction (Q-PHJ) device based on NO<sub>2</sub>Q-2F, which incorporates a central nitration site, achieved a champion efficiency of 19.14% and an extended <em>T</em><sub>80</sub> lifetime of 6,450 h under dark storage conditions, attributed to its tighter three-dimensional network stacking. In contrast, the HQ-NO<sub>2</sub>-based device, which features terminal nitration, yielded a lower efficiency of 12.45%. This work underscores the critical role of nitration positioning in unlocking the potential of NFAs. It also provides new opportunities to further explore the impact of nitration on photovoltaic performance for developing advanced organic semiconductors.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 3","pages":"Article 102756"},"PeriodicalIF":19.6,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255473","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

Exciton delocalization suppresses polariton scattering 激子离域抑制极化子散射

IF 19.6 1区化学

Chem Pub Date : 2026-03-12 Epub Date: 2025-10-10 DOI: 10.1016/j.chempr.2025.102759

Yongseok Hong , Ding Xu , Milan Delor

{"title":"Exciton delocalization suppresses polariton scattering","authors":"Yongseok Hong , Ding Xu , Milan Delor","doi":"10.1016/j.chempr.2025.102759","DOIUrl":"10.1016/j.chempr.2025.102759","url":null,"abstract":"<div><div>Exciton-polaritons (EPs) are hybrid light-matter quasiparticles that combine exciton-mediated nonlinearities with long-range coherence, ideal for energy harvesting and nonlinear optics. Optimizing EPs is predicated on a still-elusive understanding of how disorder affects their propagation and dephasing times. Here, using cutting-edge femtosecond spatiotemporal microscopy, we image EP propagation in two-dimensional semiconductors, molecular crystals, and amorphous molecular films with systematically varied exciton-phonon coupling, exciton delocalization, and static disorder. Despite possessing similar EP dispersions, we observe dramatically different transport velocities and scattering times across systems. We establish a robust scaling law linking EP scattering to exciton transfer integral, demonstrating that polaritons based on materials with large exciton bandwidths are protected against disorder even for highly excitonic EPs. This observation cannot be deduced from the systems’ linear optical properties. Our work highlights the critical role of the matter component in dictating polariton properties and provides precise guidelines for simultaneously optimizing EP propagation and nonlinearities.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 3","pages":"Article 102759"},"PeriodicalIF":19.6,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255471","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

Single-atom-enhanced membrane for simultaneous bacteria and heavy metal on-site water treatment 同时处理细菌和重金属的单原子增强膜

IF 19.6 1区化学

Chem Pub Date : 2026-03-12 Epub Date: 2025-10-15 DOI: 10.1016/j.chempr.2025.102785

David Panáček , Renata Večeřová , Zdeněk Baďura , Vítězslav Hrubý , Lukáš Zdražil , Milan Kolář , Thamraa Alshahrani , Aleš Panáček , Aristides Bakandritsos , Radek Zbořil

{"title":"Single-atom-enhanced membrane for simultaneous bacteria and heavy metal on-site water treatment","authors":"David Panáček , Renata Večeřová , Zdeněk Baďura , Vítězslav Hrubý , Lukáš Zdražil , Milan Kolář , Thamraa Alshahrani , Aleš Panáček , Aristides Bakandritsos , Radek Zbořil","doi":"10.1016/j.chempr.2025.102785","DOIUrl":"10.1016/j.chempr.2025.102785","url":null,"abstract":"<div><div>Access to clean water remains a major global challenge, especially in remote and disaster-affected areas, where centralized water treatment is often unavailable. This study introduces a single-atom engineering approach to designing a filtration system capable of simultaneously purifying water from bacteria and heavy metals on site, thus providing a sustainable and user-friendly method for water purification. The system demonstrates exceptional efficiency in removing bacterial and heavy metal contaminants from various water sources. Our findings show remarkable filtration efficiency (>99.999%) against a broad spectrum of microorganisms in distilled, tap, and river water. Moreover, the membrane demonstrates a high adsorption capacity for heavy metals, specifically 661 and 248 mg g<sup>−1</sup> for Pb<sup>2+</sup> and Cd<sup>2+</sup>, respectively. The simple operation and high membrane permeability, requiring only a hand-powered vacuum, ensure applicability in off-grid settings. In addition, the membrane material maintains more than 90% efficiency after 20 regeneration cycles, addressing both cost and sustainability issues.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 3","pages":"Article 102785"},"PeriodicalIF":19.6,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289238","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

Reducing polysulfide hydrodynamic radius toward low-temperature lithium–sulfur batteries 降低低温锂硫电池的多硫化物流体动力半径

IF 19.6 1区化学

Chem Pub Date : 2026-03-12 Epub Date: 2026-02-06 DOI: 10.1016/j.chempr.2025.102881

Tian Jin , Meng Zhao , Xi-Yao Li , Zi-Xian Chen , Bo-Quan Li , Jia-Qi Huang , Qiang Zhang

{"title":"Reducing polysulfide hydrodynamic radius toward low-temperature lithium–sulfur batteries","authors":"Tian Jin , Meng Zhao , Xi-Yao Li , Zi-Xian Chen , Bo-Quan Li , Jia-Qi Huang , Qiang Zhang","doi":"10.1016/j.chempr.2025.102881","DOIUrl":"10.1016/j.chempr.2025.102881","url":null,"abstract":"<div><div>Lithium–sulfur (Li–S) batteries are promising in realizing high energy density. Employing weakly solvating electrolytes (WSEs) further improves the anode stability. However, the lithium polysulfide (LiPS) redox kinetics is hindered in WSEs, and the underlying mechanism remains unclear. Herein, the LiPS kinetics in WSEs is quantitatively deciphered using rotating disk electrode analysis. The electron transfer number during oxidation is reduced in WSEs, evidencing intrinsically suppressed oxidation extent. Meanwhile, the diffusion coefficient and the electrolyte viscosity concurrently increase, implying a reduced LiPS hydrodynamic radius in WSEs based on the Stokes–Einstein relation and corresponding to inhibited LiPS molecular aggregation. Attributed to the reduced aggregation, WSE-based Li–S batteries exhibit record-low-temperature performances, delivering 8.0 mAh cm<sup>−2</sup> and 303 Wh kg<sup>−1</sup> at 0°C in 6 Ah-level pouch cells. This work establishes a new kinetic analysis methodology to guide rational electrolyte design and highlights the promise of WSEs to enable low-temperature Li–S batteries.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 3","pages":"Article 102881"},"PeriodicalIF":19.6,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146209","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

ElectroChemputer with integrated monitoring for programmable electrochemistry ElectroChemputer与集成监控可编程的电化学

IF 19.6 1区化学

Chem Pub Date : 2026-03-12 Epub Date: 2026-02-23 DOI: 10.1016/j.chempr.2025.102907

Melanie Guillén Soler , Robert Rauschen , Kristine Laws , Abhishek Sharma , Niclas Grocholski , Mark McNulty , Leroy Cronin

{"title":"ElectroChemputer with integrated monitoring for programmable electrochemistry","authors":"Melanie Guillén Soler , Robert Rauschen , Kristine Laws , Abhishek Sharma , Niclas Grocholski , Mark McNulty , Leroy Cronin","doi":"10.1016/j.chempr.2025.102907","DOIUrl":"10.1016/j.chempr.2025.102907","url":null,"abstract":"<div><div>Electrochemical synthesis offers a sustainable and atom-economical alternative to conventional methods. Although recent advances have enabled electrochemical discovery, the integration of real-time control with analysis promises to allow electrochemical “fly by wire.” Herein, we present the ElectroChemputer, a programmable, modular standard platform enabling fully automated execution of electrochemical workflows. It integrates nuclear magnetic resonance (NMR) spectroscopy and electroanalytical reaction monitoring to provide structural and quantitative insight into reaction progression. Across 170 h of runtime, the system accumulated >1,500 coordinated unit operations and acquired >600 cyclic voltammograms. The ElectroChemputer enabled real-time stopped-flow NMR monitoring and data analysis of complex processes, such as decarboxylation via alternating polarity. Furthermore, we explored its flexibility for diverse transformations, including nucleophilic substitutions, oxidative couplings, and electrodepositions. By using queues and blueprints, it could run multiple protocols in parallel, demonstrating its adaptability across reaction classes, electrode materials, and configurations. Through its modular architecture, the ElectroChemputer sets the stage for programmable, autonomous, and democratized electrochemical synthesis.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 3","pages":"Article 102907"},"PeriodicalIF":19.6,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147319830","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

Direct access to chiral nitrogen-rich (semi-)saturated heterocycles 直接获得手性富氮（半）饱和杂环

IF 19.6 1区化学

Chem Pub Date : 2026-03-12 Epub Date: 2025-11-07 DOI: 10.1016/j.chempr.2025.102817

Marco Pierau , Mathis J. Karrasch , Paulina Hartmann , Constantin G. Daniliuc , Andrea Hamza , Frank Glorius

{"title":"Direct access to chiral nitrogen-rich (semi-)saturated heterocycles","authors":"Marco Pierau , Mathis J. Karrasch , Paulina Hartmann , Constantin G. Daniliuc , Andrea Hamza , Frank Glorius","doi":"10.1016/j.chempr.2025.102817","DOIUrl":"10.1016/j.chempr.2025.102817","url":null,"abstract":"<div><div>Nitrogen-enriched (partially) saturated fused heterocycles have emerged as highly relevant scaffolds for improved pharmaceuticals. Increased solubility, along with fine-tuneable target affinity and specificity, differentiate them from their nitrogen-poor aromatic counterparts. Contrary to their growing demand, applications are severely limited by arduous bottom-up synthesis routes and the lack of a general solution for facile access. Herein, we report an efficient method for the synthesis of chiral (semi-)saturated pyridine-fused heterocycles and their respective N-permutations by enantioselective arene hydrogenation with a newly developed ruthenium catalyst. We obtained versatile and highly valuable product motifs, including pyridine- and piperidine-fused scaffolds with up to four newly formed stereocenters, of which several have not been previously reported. We conducted extensive <em>in silico</em> studies to elucidate a rare inverse-pressure-dependent enantioselectivity and to develop a rational model for predicting the stereochemical outcome. This contribution is expected to accelerate the exploration of new frameworks in drug discovery.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"12 3","pages":"Article 102817"},"PeriodicalIF":19.6,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145455209","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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