Adinarayana Bellamkonda, Petr Sherin, Timothy Kench, Marina Konstantinovna Kuimova, Ramon Vilar
DNA can fold into a range of different structures besides the canonical double helix. These structures have been shown to play important biological regulatory roles, highlighting that is not only DNA’s sequence but also its structure that dictates its functions. However, detecting and visualising these structures in cells is challenging, due to their dynamic nature and low abundance at any one time, as compared to duplex DNA. In this paper we report the syntheses of three new platinum(II) complexes, coordinated to C^N^N^C and N^C^C^N ligands, and study their photophysical properties in the absence and presence of duplex and quadruplex DNA structures. We find that two of the probes switch on their phosphorescence intensity upon interaction with DNA. Moreover, we demonstrate that the phosphorescence lifetime of one of the probes shows distinct changes upon interaction with quadruplex DNA, as compared to duplex DNA or free in solution. Reassuringly, this probe shows no self-aggregation in the nuclei and nucleoli of live and fixed cells, allowing artefact-free imaging. Thus, we utilise Phosphorescence Lifetime Imaging Microscopy (PLIM) to visualise G-quadruplexes in live and fixed cells using this novel PLIM probe.
{"title":"Platinum-based phosphorescent lifetime probes for the visualisation of G-quadruplex DNA in cells","authors":"Adinarayana Bellamkonda, Petr Sherin, Timothy Kench, Marina Konstantinovna Kuimova, Ramon Vilar","doi":"10.1039/d5sc08064a","DOIUrl":"https://doi.org/10.1039/d5sc08064a","url":null,"abstract":"DNA can fold into a range of different structures besides the canonical double helix. These structures have been shown to play important biological regulatory roles, highlighting that is not only DNA’s sequence but also its structure that dictates its functions. However, detecting and visualising these structures in cells is challenging, due to their dynamic nature and low abundance at any one time, as compared to duplex DNA. In this paper we report the syntheses of three new platinum(II) complexes, coordinated to C^N^N^C and N^C^C^N ligands, and study their photophysical properties in the absence and presence of duplex and quadruplex DNA structures. We find that two of the probes switch on their phosphorescence intensity upon interaction with DNA. Moreover, we demonstrate that the phosphorescence lifetime of one of the probes shows distinct changes upon interaction with quadruplex DNA, as compared to duplex DNA or free in solution. Reassuringly, this probe shows no self-aggregation in the nuclei and nucleoli of live and fixed cells, allowing artefact-free imaging. Thus, we utilise Phosphorescence Lifetime Imaging Microscopy (PLIM) to visualise G-quadruplexes in live and fixed cells using this novel PLIM probe.","PeriodicalId":9909,"journal":{"name":"Chemical Science","volume":"89 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116105","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}
Xiongfeng Zeng, Ao Cai, Junhui Pei, GuiXin Liu, WenLu Li, Xiaoman Xiong, Ding Zhou, Na Yao
In acidic systems, elucidating the structural forms and mechanisms of Ru that achieve high activity and stability upon combination with oxides offers valuable insights for designing efficient and durable PEM water electrolysis catalysts. In this study, different Ru forms, including single atoms, sub-nanometric clusters, and heterostructures, were strategically introduced into a WOx template to systematically investigate their effects on OER performance. In situ characterization techniques (ATR-SEIRAS, DEMS, and in situ Raman) combined with theoretical calculations reveal that the d–π interactions within the continuously coupled orbitals introduced by subnanometer Ru clusters accelerate electronic delocalization, thereby optimizing the interfacial water structure and hydrogen-bond network and enhancing *OH adsorption. Meanwhile, this interaction facilitates the deprotonation of intermediates, maintains a high surface coverage of *O species, and modulates the post-adsorption electronic structure, which collectively promote *O–*O coupling and the Oxide Path Mechanism (OPM) pathway, endowing the catalyst with superior activity and stability. The resulting RuSNCs-WOx exhibits outstanding acidic OER performance, achieving 10 mA cm−2 at only 171 mV overpotential and retaining excellent stability over 1000 hours. In PEM electrolyzer tests, it outperforms conventional RuO2, sustaining 1 A cm−2 operation for over 1000 hours.
在酸性体系中，阐明Ru在与氧化物结合时获得高活性和稳定性的结构形式和机制，为设计高效耐用的PEM水电解催化剂提供了有价值的见解。在这项研究中，不同的Ru形式，包括单原子、亚纳米簇和异质结构，被有策略地引入到WOx模板中，系统地研究它们对OER性能的影响。原位表征技术（ATR-SEIRAS， dem和原位拉曼）结合理论计算表明，亚纳米Ru团簇引入的连续耦合轨道内的d -π相互作用加速了电子离域，从而优化了界面水结构和氢键网络，增强了*OH吸附。同时，这种相互作用促进了中间体的去质子化，维持了*O物种的高表面覆盖率，并调节了吸附后的电子结构，共同促进了*O - *O偶联和氧化物路径机制（OPM）途径，使催化剂具有优异的活性和稳定性。所得的RuSNCs-WOx表现出出色的酸性OER性能，在171 mV过电位下达到10 mA cm - 2，并在1000小时内保持优异的稳定性。在PEM电解槽测试中，它优于传统的RuO2，维持1 A cm−2的运行超过1000小时。
{"title":"Unveiling structural forms of Ru in WOx-template catalysts for efficient acidic PEM water electrolysis","authors":"Xiongfeng Zeng, Ao Cai, Junhui Pei, GuiXin Liu, WenLu Li, Xiaoman Xiong, Ding Zhou, Na Yao","doi":"10.1039/d5sc09860b","DOIUrl":"https://doi.org/10.1039/d5sc09860b","url":null,"abstract":"In acidic systems, elucidating the structural forms and mechanisms of Ru that achieve high activity and stability upon combination with oxides offers valuable insights for designing efficient and durable PEM water electrolysis catalysts. In this study, different Ru forms, including single atoms, sub-nanometric clusters, and heterostructures, were strategically introduced into a WO<small><sub><em>x</em></sub></small> template to systematically investigate their effects on OER performance. <em>In situ</em> characterization techniques (ATR-SEIRAS, DEMS, and <em>in situ</em> Raman) combined with theoretical calculations reveal that the d–π interactions within the continuously coupled orbitals introduced by subnanometer Ru clusters accelerate electronic delocalization, thereby optimizing the interfacial water structure and hydrogen-bond network and enhancing *OH adsorption. Meanwhile, this interaction facilitates the deprotonation of intermediates, maintains a high surface coverage of *O species, and modulates the post-adsorption electronic structure, which collectively promote *O–*O coupling and the Oxide Path Mechanism (OPM) pathway, endowing the catalyst with superior activity and stability. The resulting Ru<small><sub>SNCs</sub></small>-WO<small><sub><em>x</em></sub></small> exhibits outstanding acidic OER performance, achieving 10 mA cm<small><sup>−2</sup></small> at only 171 mV overpotential and retaining excellent stability over 1000 hours. In PEM electrolyzer tests, it outperforms conventional RuO<small><sub>2</sub></small>, sustaining 1 A cm<small><sup>−2</sup></small> operation for over 1000 hours.","PeriodicalId":9909,"journal":{"name":"Chemical Science","volume":"241 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116114","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}
Aleksa Radovic, Maria C Healy, Arnadeep Datta, Deborshee Das, Likun Cai, Steven Diaz, Achyut R Gogoi, Nikki J Wolford, Stephanie H Carpenter, William W. Brennessel, David W. McCamant, Osvaldo Gutierrez, Michael L. Neidig
C-H activation is a vital synthetic tool due to its superior atom economy and improved step efficiency making it amendable to late-stage functionalisation. In recent years iron has been gaining traction within this field due to its high abundance, low cost and low toxicity. While iron(0) phosphines for C-H activation via oxidative addition are well documented, however, only a handful of iron(II) complexes competent at C-H activation via ligand-to-ligand hydrogen atom transfer (LLHT) or σ-bond metathesis have been identified. Herein we report the first homoleptic iron species capable of facilitating C-H activation, introducing a new class of well-defined iron(II) complexes for this purpose, and detail the synthesis and characterisation of a range of tris-cyclometalated iron complexes using a variety of pyridine derived substrates. Density functional theory (DFT) calculations reveal that the C-H activation proceeds through a metal non-assisted σ-bond metathesis pathway.
{"title":"Iron Tris-Mesityl: A Homoleptic Iron(II) Ferrate Species for Directed C-H Activation","authors":"Aleksa Radovic, Maria C Healy, Arnadeep Datta, Deborshee Das, Likun Cai, Steven Diaz, Achyut R Gogoi, Nikki J Wolford, Stephanie H Carpenter, William W. Brennessel, David W. McCamant, Osvaldo Gutierrez, Michael L. Neidig","doi":"10.1039/d5sc08832a","DOIUrl":"https://doi.org/10.1039/d5sc08832a","url":null,"abstract":"C-H activation is a vital synthetic tool due to its superior atom economy and improved step efficiency making it amendable to late-stage functionalisation. In recent years iron has been gaining traction within this field due to its high abundance, low cost and low toxicity. While iron(0) phosphines for C-H activation via oxidative addition are well documented, however, only a handful of iron(II) complexes competent at C-H activation via ligand-to-ligand hydrogen atom transfer (LLHT) or <em>σ-</em>bond metathesis have been identified. Herein we report the first homoleptic iron species capable of facilitating C-H activation, introducing a new class of well-defined iron(II) complexes for this purpose, and detail the synthesis and characterisation of a range of tris-cyclometalated iron complexes using a variety of pyridine derived substrates. Density functional theory (DFT) calculations reveal that the C-H activation proceeds through a metal non-assisted σ-bond metathesis pathway.","PeriodicalId":9909,"journal":{"name":"Chemical Science","volume":"19 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116043","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}
Gaobo Xu, Fuling Li, Jin Ye, Shujun Zhang, Haiqin Ma, Guangdong Zhou, Cunyun Xu, Xiaofeng He, Xiude Yang, Qun Liang Song
The fundamental driving force and mechanism of water/hydrophobic interface chemistry remain debated. Contact-electro-catalysis (CEC), which converts mechanical energy into extensive interfacial charge separation in water, has introduced a new perspective. However, the introduction of ultrasonication has prompted a renewed scrutiny of its reaction mechanisms. At the same time, those studies have no quantification assessment due to the calculation difficulty of energy-to-electron conversion. Here, we investigate radical-mediated advanced oxidation processes (AOPs), at a macroscopic water/hydrophobic interface without violent energy input. Theoretical analysis reveals that the flexoelectric response of interfacial water creates a local polarization field that is strong enough to separate electrons from H2O or OH−. These interfacial energy fluctuations are thus proposed as the primary origin of the reaction driving force. Furthermore, by leveraging a quantifiable press-and-release device, we establish a methodological framework for evaluating triboelectric electron utilization ratio in CEC, yielding a first estimation of ~ 44.8%. This work provides new insights into both interfacial AOPs and contact electrification at water/hydrophobic interfaces. This breakthrough offers a new and sustainable strategy for low-energy water purification and pollutant degradation, and also provides a basis for future precise quantification of electron utilization efficiency.
{"title":"Advanced oxidation processes at water/hydrophobic interfaces: energy-fluctuation mechanism and electron utilization quantification","authors":"Gaobo Xu, Fuling Li, Jin Ye, Shujun Zhang, Haiqin Ma, Guangdong Zhou, Cunyun Xu, Xiaofeng He, Xiude Yang, Qun Liang Song","doi":"10.1039/d5sc08827e","DOIUrl":"https://doi.org/10.1039/d5sc08827e","url":null,"abstract":"The fundamental driving force and mechanism of water/hydrophobic interface chemistry remain debated. Contact-electro-catalysis (CEC), which converts mechanical energy into extensive interfacial charge separation in water, has introduced a new perspective. However, the introduction of ultrasonication has prompted a renewed scrutiny of its reaction mechanisms. At the same time, those studies have no quantification assessment due to the calculation difficulty of energy-to-electron conversion. Here, we investigate radical-mediated advanced oxidation processes (AOPs), at a macroscopic water/hydrophobic interface without violent energy input. Theoretical analysis reveals that the flexoelectric response of interfacial water creates a local polarization field that is strong enough to separate electrons from H<small><sub>2</sub></small>O or OH<small><sup>−</sup></small>. These interfacial energy fluctuations are thus proposed as the primary origin of the reaction driving force. Furthermore, by leveraging a quantifiable press-and-release device, we establish a methodological framework for evaluating triboelectric electron utilization ratio in CEC, yielding a first estimation of ~ 44.8%. This work provides new insights into both interfacial AOPs and contact electrification at water/hydrophobic interfaces. This breakthrough offers a new and sustainable strategy for low-energy water purification and pollutant degradation, and also provides a basis for future precise quantification of electron utilization efficiency.","PeriodicalId":9909,"journal":{"name":"Chemical Science","volume":"235 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146129660","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}
The rapid rise of metal halide perovskites has revolutionized optoelectronic technologies, yet the intrinsic lead (Pb) toxicity remains a fundamental challenge threatening environmental safety and sustainable commercialization. This perspective summarizes recent advances over the past two to three years (2023-2025) in innovative chemical design and regulation strategies for Pb sequestration and immobilization within perovskite systems, encompassing both photovoltaic and luminescent devices. Key developments include embedding crosslinked supramolecular networks for Pb capture, constructing supramolecular host-guest inclusion complexes for Pb immobilization, employing chemical synergistic coordination for Pb species stabilization, and achieving lattice-matching anchoring for Pb migration suppression. Dual protection via dynamic interfacial confinement and integrated physical-chemical encapsulation further minimizes Pb leakage. In addition, the use of biocompatible supramolecular cyclodextrins for selective Pb ion chelation represents a promising route to reduce Pb toxicity at the material and environmental levels. Despite these achievements, challenges persist in ensuring scalability, long-term stability, and economic feasibility. Looking forward, future efforts should focus on intelligent Pb-sequestrating materials, Pb-free perovskite alternatives, closed-loop recycling systems, and interdisciplinary collaboration. By integrating chemical innovation with sustainability principles, a transformative pathway can be envisioned toward a safe, stable, and environmentally responsible perovskite optoelectronics industry.
{"title":"Innovative Chemical Design and Regulation Strategies for Overcoming Lead Toxicity in Perovskite-Based Optoelectronics: A New Perspective","authors":"Gengling Liu, Guo Yang, Wenhuai Feng, Wu-Qiang Wu","doi":"10.1039/d5sc09981a","DOIUrl":"https://doi.org/10.1039/d5sc09981a","url":null,"abstract":"The rapid rise of metal halide perovskites has revolutionized optoelectronic technologies, yet the intrinsic lead (Pb) toxicity remains a fundamental challenge threatening environmental safety and sustainable commercialization. This perspective summarizes recent advances over the past two to three years (2023-2025) in innovative chemical design and regulation strategies for Pb sequestration and immobilization within perovskite systems, encompassing both photovoltaic and luminescent devices. Key developments include embedding crosslinked supramolecular networks for Pb capture, constructing supramolecular host-guest inclusion complexes for Pb immobilization, employing chemical synergistic coordination for Pb species stabilization, and achieving lattice-matching anchoring for Pb migration suppression. Dual protection via dynamic interfacial confinement and integrated physical-chemical encapsulation further minimizes Pb leakage. In addition, the use of biocompatible supramolecular cyclodextrins for selective Pb ion chelation represents a promising route to reduce Pb toxicity at the material and environmental levels. Despite these achievements, challenges persist in ensuring scalability, long-term stability, and economic feasibility. Looking forward, future efforts should focus on intelligent Pb-sequestrating materials, Pb-free perovskite alternatives, closed-loop recycling systems, and interdisciplinary collaboration. By integrating chemical innovation with sustainability principles, a transformative pathway can be envisioned toward a safe, stable, and environmentally responsible perovskite optoelectronics industry.","PeriodicalId":9909,"journal":{"name":"Chemical Science","volume":"1 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116093","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}
Meemie U Hwang, Achyut R Gogoi, Matthew Scurria, Osvaldo Gutierrez, Karl A Scheidt
A light-driven cyclization of readily available a-amino esters to 3-azetidinones has been developed. This method leverages chromophore activation with the acyl imidazole to generate the triplet diradical species under mild conditions without the need for photosensitizers or transition metals. A selective hydrogen atom transfer event, followed by intramolecular Norrish-Yang radical coupling occurs to yield the N-heterocycle, with facile elimination of the imidazole group to access the 3-azetidinone. Computational calculations reveal the role of the protecting group in favoring the Norrish-Yang cyclization pathway.
{"title":"Photochemical Cyclization of α-Amino Esters to Access 3-Azetidinones","authors":"Meemie U Hwang, Achyut R Gogoi, Matthew Scurria, Osvaldo Gutierrez, Karl A Scheidt","doi":"10.1039/d5sc09994c","DOIUrl":"https://doi.org/10.1039/d5sc09994c","url":null,"abstract":"A light-driven cyclization of readily available a-amino esters to 3-azetidinones has been developed. This method leverages chromophore activation with the acyl imidazole to generate the triplet diradical species under mild conditions without the need for photosensitizers or transition metals. A selective hydrogen atom transfer event, followed by intramolecular Norrish-Yang radical coupling occurs to yield the <em>N</em>-heterocycle, with facile elimination of the imidazole group to access the 3-azetidinone. Computational calculations reveal the role of the protecting group in favoring the Norrish-Yang cyclization pathway.","PeriodicalId":9909,"journal":{"name":"Chemical Science","volume":"1 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116112","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}
Nurgül Bilgin, Laust Moesgaard, Jacob Kongsted, Jasmin Mecinović
Correction for ‘Stapled histone H3 tails are super-substrates for lysine methyltransferase SETD7’ by Nurgül Bilgin et al., Chem. Sci., 2026, https://doi.org/10.1039/d5sc08094k.
由nurg l Bilgin等人，Chem更正的“钉住的组蛋白H3尾部是赖氨酸甲基转移酶SETD7的超级底物”。科学。， 2026, https://doi.org/10.1039/d5sc08094k。
{"title":"Correction: Stapled histone H3 tails are super-substrates for lysine methyltransferase SETD7","authors":"Nurgül Bilgin, Laust Moesgaard, Jacob Kongsted, Jasmin Mecinović","doi":"10.1039/d6sc90024k","DOIUrl":"https://doi.org/10.1039/d6sc90024k","url":null,"abstract":"Correction for ‘Stapled histone H3 tails are super-substrates for lysine methyltransferase SETD7’ by Nurgül Bilgin <em>et al.</em>, <em>Chem. Sci.</em>, 2026, https://doi.org/10.1039/d5sc08094k.","PeriodicalId":9909,"journal":{"name":"Chemical Science","volume":"1 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116022","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}
A fully conjugated sp2-carbon covalent organic framework (sp2C-COF) possessing global conformational chirality holds great promising for advanced electronic devices. However, the inherent irreversibility of many reactions hinders the chirality-induced synthesis of COFs from achiral building blocks. Herein, we address a chirality-induced linkage exchange strategy to fabricate a vinylene-linked chiral sp2C-COF via an irreversible Aldol reaction. The approach involves the pre-synthesis of a chiral Schiff-base precursor, followed by its acid-catalyzed conversion from imine to vinylene linkages. This chiral precursor induces the orientation of asymmetric vinylene linkages, enabling enantioselective formation of periodic frameworks. Through a self-template mechanism, the layered stacking amplifies the structural handedness and dominates the evolution of branched nanofibers. The resulting chiral sp2C-COF exhibits a high dissymmetry factor in circularly polarized luminescence along with a substantial quantum yield, achieving a superior Figure-of-Merit of up to 0.01. An ultrathin film of the chiral sp2C-COF is fabricated and implemented in an interdigitated capacitive sensor capable of simultaneous quantification and chiral recognition of tryptophan within the 10–40 µM range. This work not only provides a strategic pathway to overcome chiral propagation barriers in irreversible reactions but also contributes an emerging class of chiral two-dimensional carbon materials.
{"title":"Chirality-Induced Stereoselective Synthesis of Chiral sp2-Carbon-Conjugated Covalent Organic Frameworks","authors":"Weijun Weng, Zihan Zhu, Xiaoyan Xu, Jia Guo","doi":"10.1039/d5sc09234e","DOIUrl":"https://doi.org/10.1039/d5sc09234e","url":null,"abstract":"A fully conjugated sp2-carbon covalent organic framework (sp2C-COF) possessing global conformational chirality holds great promising for advanced electronic devices. However, the inherent irreversibility of many reactions hinders the chirality-induced synthesis of COFs from achiral building blocks. Herein, we address a chirality-induced linkage exchange strategy to fabricate a vinylene-linked chiral sp2C-COF via an irreversible Aldol reaction. The approach involves the pre-synthesis of a chiral Schiff-base precursor, followed by its acid-catalyzed conversion from imine to vinylene linkages. This chiral precursor induces the orientation of asymmetric vinylene linkages, enabling enantioselective formation of periodic frameworks. Through a self-template mechanism, the layered stacking amplifies the structural handedness and dominates the evolution of branched nanofibers. The resulting chiral sp2C-COF exhibits a high dissymmetry factor in circularly polarized luminescence along with a substantial quantum yield, achieving a superior Figure-of-Merit of up to 0.01. An ultrathin film of the chiral sp2C-COF is fabricated and implemented in an interdigitated capacitive sensor capable of simultaneous quantification and chiral recognition of tryptophan within the 10–40 µM range. This work not only provides a strategic pathway to overcome chiral propagation barriers in irreversible reactions but also contributes an emerging class of chiral two-dimensional carbon materials.","PeriodicalId":9909,"journal":{"name":"Chemical Science","volume":"9 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116045","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}
Di Zhang, Xue Jia, Hung Ba Tran, Seong Hoon Jang, Linda Zhang, Ryuhei Sato, Yusuke Hashimoto, Toyoto Sato, Kiyoe Konno, Shin-Ichi Orimo, Hao Li
Despite the surge of AI in energy materials research, fully autonomous workflows that connect high-precision experimental knowledge to the discovery of credible new energy-related materials remain at an early stage. Here, we develop the Descriptive Interpretation of Visual Expression (DIVE) multi-agent workflow, which systematically reads and organizes experimental data from graphical elements in scientific literature. Applied to solid-state hydrogen storage materials-a class of materials central to future clean-energy technologies-DIVE markedly improves the accuracy and coverage of data extraction compared to the direct extraction method, with gains of 10-15% over commercial models and over 30% relative to open-source models. Building on a curated database of over 30 000 entries from >4000 publications, we establish a rapid inverse-design AI workflow capable of proposing new materials within minutes. This transferable, end-to-end paradigm illustrates how multimodal AI agents can convert literature-embedded scientific knowledge into actionable innovation, offering a scalable pathway for accelerated discovery across chemistry and materials science.
{"title":"\"DIVE\" into hydrogen storage materials discovery with AI agents.","authors":"Di Zhang, Xue Jia, Hung Ba Tran, Seong Hoon Jang, Linda Zhang, Ryuhei Sato, Yusuke Hashimoto, Toyoto Sato, Kiyoe Konno, Shin-Ichi Orimo, Hao Li","doi":"10.1039/d5sc09921h","DOIUrl":"10.1039/d5sc09921h","url":null,"abstract":"<p><p>Despite the surge of AI in energy materials research, fully autonomous workflows that connect high-precision experimental knowledge to the discovery of credible new energy-related materials remain at an early stage. Here, we develop the Descriptive Interpretation of Visual Expression (DIVE) multi-agent workflow, which systematically reads and organizes experimental data from graphical elements in scientific literature. Applied to solid-state hydrogen storage materials-a class of materials central to future clean-energy technologies-DIVE markedly improves the accuracy and coverage of data extraction compared to the direct extraction method, with gains of 10-15% over commercial models and over 30% relative to open-source models. Building on a curated database of over 30 000 entries from >4000 publications, we establish a rapid inverse-design AI workflow capable of proposing new materials within minutes. This transferable, end-to-end paradigm illustrates how multimodal AI agents can convert literature-embedded scientific knowledge into actionable innovation, offering a scalable pathway for accelerated discovery across chemistry and materials science.</p>","PeriodicalId":9909,"journal":{"name":"Chemical Science","volume":" ","pages":""},"PeriodicalIF":7.4,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12865593/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146117913","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}
Martin Helmut Winkler, Jan Jaenecke, Konstantin Bikbaev, Julia Bronold, Shanika Yadav, Ulf-Peter Apfel, James A. Birrell, Ingrid Span, Nicolas Plumere, Christophe Léger, Miriam Malagnini
Hydrogenases offer a sustainable alternative to noble metals for catalyzing H₂-oxidation and H₂-production. The heterodimeric [FeFe]-hydrogenase of Desulfovibrio desulfuricans ATCC 7757 (DdHydAB) is most promising due to its exceptional catalytic activity and high-yield heterologous expression of its apo-form. Scalable production of the holo-form relies on in vitro maturation of the apo-enzyme using a chemically synthesized 2FeH cofactor mimic. However, the unusually slow in vitro maturation of DdHydAB raises mechanistic questions and limits its scalability. Through structural and sequence analysis, we identified the cause of this slow maturation and redesigned the enzyme via subunit fusion, inserting short peptide linkers near the active site. This modification facilitates the rearrangement of a critical locking element after cofactor uptake, increasing the maturation rate by up to 41-fold without compromising catalytic performance. Our findings elucidate a key step in the “plug-lock-lid” mechanism underlying maturation and promote the industrial applicability of DdHydAB.
{"title":"Subunit fusion unlocks rapid in vitro maturation for slowly activating heterodimeric [FeFe]-hydrogenases","authors":"Martin Helmut Winkler, Jan Jaenecke, Konstantin Bikbaev, Julia Bronold, Shanika Yadav, Ulf-Peter Apfel, James A. Birrell, Ingrid Span, Nicolas Plumere, Christophe Léger, Miriam Malagnini","doi":"10.1039/d5sc07299a","DOIUrl":"https://doi.org/10.1039/d5sc07299a","url":null,"abstract":"Hydrogenases offer a sustainable alternative to noble metals for catalyzing H₂-oxidation and H₂-production. The heterodimeric [FeFe]-hydrogenase of Desulfovibrio desulfuricans ATCC 7757 (DdHydAB) is most promising due to its exceptional catalytic activity and high-yield heterologous expression of its apo-form. Scalable production of the holo-form relies on in vitro maturation of the apo-enzyme using a chemically synthesized 2FeH cofactor mimic. However, the unusually slow in vitro maturation of DdHydAB raises mechanistic questions and limits its scalability. Through structural and sequence analysis, we identified the cause of this slow maturation and redesigned the enzyme via subunit fusion, inserting short peptide linkers near the active site. This modification facilitates the rearrangement of a critical locking element after cofactor uptake, increasing the maturation rate by up to 41-fold without compromising catalytic performance. Our findings elucidate a key step in the “plug-lock-lid” mechanism underlying maturation and promote the industrial applicability of DdHydAB.","PeriodicalId":9909,"journal":{"name":"Chemical Science","volume":"134 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116021","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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