ACS Catalysis 最新文献

{"title":"A Redox-Active Iron Azo-Pyridine Complex for Aqueous H2 Evolution and H2 Oxidation: From Mechanism to Devices","authors":"Thinles Dolkar,&nbsp;Naseer Ahmad Shah,&nbsp;Vaibhav Trivedi,&nbsp;Saptarshi Ghosh Dastider,&nbsp;Manodip Pal,&nbsp;Tannu Kaushik,&nbsp;Krishnakanta Mondal,&nbsp;Goutam K. Lahiri,&nbsp;Arnab Dutta","doi":"10.1021/acscatal.6c03030","DOIUrl":"10.1021/acscatal.6c03030","url":null,"abstract":"<p>The efficient and reversible interconversion of protons and molecular hydrogen is essential for commercially viable hydrogen energy systems. Natural hydrogenases catalyze this process with unmatched efficiency but lack operational stability outside biological conditions. Inspired by their catalytic activity, a water-soluble nonheme iron complex, Fe(pap)₃(ClO₄)₂ (pap = 2-(phenylazo)pyridine), has been developed as a molecular catalyst exhibiting bifunctional homogeneous hydrogen evolution (HER) and hydrogen oxidation (HOR) activity in aqueous media. The complex achieves a turnover number of ∼800 for HOR and delivers HER with ∼90% Faradaic efficiency at overpotentials near 150 mV, maintaining activity under mild conditions. Ligand redox activity facilitates electron and proton transfer, enabling efficient HER and HOR. Beyond mechanistic relevance, the catalyst is integrated into a prototype fuel cell and electrolyzer. In HOR fuel cell mode, an open-circuit voltage of 0.98 V and a peak power density of 0.87 mW·cm^–2 is observed, while in a separate PEM electrolyzer operated in HER mode, sustained hydrogen evolution is observed under acidic conditions. This study highlights the potential of nonheme molecular iron catalysts to enable translation of molecular electrocatalysis toward device-relevant hydrogen conversion.</p>","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"16 20","pages":"19956–19971"},"PeriodicalIF":13.6,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092023","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}

{"title":"Molecular Activation of MoS2 Photocatalysts Enables Direct Reduction of Atmospheric CO2","authors":"Heying Li,&nbsp;Hao Liu,&nbsp;Zhenyu Zhang,&nbsp;Bingjie Guo,&nbsp;Zihao Huang,&nbsp;Weiqi Mao,&nbsp;Haitao Sun,&nbsp;Guiling Shi,&nbsp;Jingxiang Zhao,&nbsp;Congmin Wang,&nbsp;Kaihong Chen","doi":"10.1021/acscatal.6c04428","DOIUrl":"10.1021/acscatal.6c04428","url":null,"abstract":"<p>The production of solar fuels directly from atmospheric CO₂ remains a long-standing goal, primarily because catalysts perform poorly under highly dilute CO₂ (approximately 420 ppm) and in the presence of oxygen. Herein, we report a molecular activation strategy that simultaneously enriches the local CO₂ concentration and tunes the electronic structure of active sites by integrating basic organic ligands into cobalt-doped MoS₂ (MoS₂:Co). Density functional theory (DFT) calculations reveal that ligand basicity governs both CO₂ adsorption capacity and metal–ligand interactions, enabling precise control over catalytic activity. This synergy, achieved by integrating a ligand of moderate basicity, i.e., 2-methylimidazole (2-MIm), onto the surface of MoS₂:Co, results in an over 1800-fold enhancement in formic acid production with &gt;99% selectivity in pure water and without sacrificial agents. Notably, the system can also operate under ambient air and natural sunlight, producing formic acid continuously for five days without external CO₂ supply. In situ spectroscopy and DFT calculations underlie the essential role of 2-MIm in enhancing CO₂ reduction kinetics by modulating the electronic structure of Co dopants, facilitating electron transfer, and stabilizing intermediates. By effectively bypassing the need for energy-intensive direct air capture, this work establishes a robust and viable pathway for developing decentralized solar refineries that convert air directly into solar fuels.</p>","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"16 20","pages":"20078–20088"},"PeriodicalIF":13.6,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092085","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}

{"title":"Uncovering Functional Distant Mutations by Ultrahigh-Throughput Screening of Dehalogenases","authors":"Hana Faldynova,&nbsp;David Kovar,&nbsp;Ankit Jain,&nbsp;Michaela Slanska,&nbsp;Marek Martinek,&nbsp;Andreas Jakob,&nbsp;Marie Sulova,&nbsp;Michal Vasina,&nbsp;Joan Planas-Iglesias,&nbsp;Sergio M. Marques,&nbsp;Naina Verma,&nbsp;Pavel Vanacek,&nbsp;David Damborsky,&nbsp;Christoffel P. S. Badenhorst,&nbsp;Tomas Buryska,&nbsp;Flora W. Y. Chiu,&nbsp;Marika Majerova,&nbsp;Tana Kohutekova,&nbsp;Petr Kouba,&nbsp;Nela Sendlerova,&nbsp;Andrew J. deMello,&nbsp;Jiri Damborsky,&nbsp;Josef Sivic,&nbsp;Uwe T. Bornscheuer,&nbsp;David Bednar,&nbsp;Stanislav Mazurenko,&nbsp;Lenka Hernychova,&nbsp;Martin Marek,&nbsp;Petr Klan,&nbsp;Stavros Stavrakis,&nbsp;Zbynek Prokop","doi":"10.1021/acscatal.6c03694","DOIUrl":"10.1021/acscatal.6c03694","url":null,"abstract":"<p>Conformational dynamics play a central role in enzyme function by controlling substrate access and productive binding. Yet, mutations that beneficially modulate these properties are difficult to identify. Here, we used ultrahigh-throughput fluorescence-activated droplet sorting (FADS) with a bulky fluorogenic substrate derived from coumarin (COU-3) to impose steric selection pressure on the haloalkane dehalogenase LinB. Screening a focused library yielded five single substitutions located 11.5–15.5 Å from the catalytic center. Variant I138N showed a fourfold increase in catalytic efficiency towards COU-3 through reduced <em>K</em>_M and increased <em>k</em>_cat, associated with increased cap-domain flexibility and facilitated substrate entry. In contrast, variant P208S markedly reduced substrate inhibition and shifted specificity towards bulkier iodinated haloalkanes by reshaping its tunnel environment. Integrated kinetic and structural analyses revealed that screening with bulky substrates directs selection towards distal regions controlling substrate access and unproductive binding. These findings demonstrate that combining ultrahigh-throughput FADS with focused library design can reveal dynamic mechanisms of enzyme adaptation that remain challenging to anticipate using conventional rational-design approaches.</p>","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"16 20","pages":"20001–20014"},"PeriodicalIF":13.6,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092089","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}

{"title":"Enabling Data-Efficient Machine Learning through Multi-Target Training Set Design via Greedy Neighborhood Coverage","authors":"Jakob A. Meckes,&nbsp;Jiang Yi He,&nbsp;Jolene P. Reid","doi":"10.1021/acscatal.6c04894","DOIUrl":"10.1021/acscatal.6c04894","url":null,"abstract":"<p>Machine learning is increasingly used to guide asymmetric catalysis, but each enantioselectivity measurement remains experimentally expensive. Prior work established that predictive accuracy in these datasets is dominated by reactions that are structurally similar to the target, motivating neighborhood-restricted models, such as radius-based random forests (RaRF). However, realistic screening campaigns require predictions for many related targets simultaneously (e.g., 20–50 reactions in a scope), and selecting training data independently for each target can be redundant because target neighborhoods overlap. Here, we frame multi-target training set design as a neighborhood multi-coverage problem, where the goal is to select a compact shared set of experiments such that each target retains at least one neighbor within a given similarity radius in reaction fingerprint space. We introduce MT-RaRF, a greedy neighborhood-coverage algorithm that prioritizes candidate experiments that satisfy the remaining local-neighbor needs of underserved targets while exploiting overlap among neighborhoods. Across several previously curated asymmetric catalysis datasets, MT-RaRF can use only a fraction of the experiments required by independent RaRF while maintaining comparable mean absolute errors. Systematic comparisons across similarity radii, training budgets, and target-set distributions establish practical guidelines for prospective use: MT-RaRF is most effective when locality is enforced, experimental budgets are limited, and target panels contain overlapping neighborhoods. MT-RaRF therefore makes locality-driven models practical and affordable for multi-target screening in asymmetric catalysis.</p>","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"16 20","pages":"20235–20246"},"PeriodicalIF":13.6,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092278","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}

{"title":"Catalytic Asymmetric Allylic Substitution with Alkynylogous Silyl Enol Ethers En Route to Chiral Allenes","authors":"Sankash Mitra,Debangshu Ghosh,Santanu Mukherjee","doi":"10.1021/acscatal.6c07098","DOIUrl":"https://doi.org/10.1021/acscatal.6c07098","url":null,"abstract":"Abstract Despite their potential as building blocks of allenes, alkynylogous enol silanes have rarely been employed in organic synthesis. Herein, we establish their utility as nucleophiles in catalytic asymmetric allylic substitution, which results in skipped enallenes bearing two vicinal stereogenic elements (axial and central chirality). This iridium-catalyzed reaction utilizes α-alkynyl silyl enol ethers as alkynylogous nucleophile for reaction with easily accessible racemic branched allylic alcohols and endows tetrasubstituted axially chiral allenones, bearing a δ-stereocenter exclusively as a single regioisomer in moderate to good diastereoselectivity (up to 11:1 dr) and in most cases with high enantioselectivity (up to &amp;gt;99.5:0.5 er). The densely functionalized γ-allylic allenones can be elaborated into useful building blocks, including a highly substituted chiral 2-allyl furan derivative. Through this work, α-alkynyl enol silanes are introduced as alkynylogous nucleophiles in transition metal catalysis.","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"37 1","pages":""},"PeriodicalIF":12.9,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149209937","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}

{"title":"Diastereoselective Heterogeneous Hydrogenation of Fused Arenes Directed by Amines and Alcohols","authors":"Anish Yadav,Vinay Kadian,William A. Swann,Ratri Biswas,Nicole K. Freundl,Zhenhua Zeng,Christina W. Li","doi":"10.1021/acscatal.6c05744","DOIUrl":"https://doi.org/10.1021/acscatal.6c05744","url":null,"abstract":"Abstract The heterogeneous hydrogenation of aromatic compounds using supported metal catalysts is an efficient strategy to increase the three-dimensionality and molecular complexity of organic molecules. However, most heterogeneous hydrogenation methods lack stereoselectivity or rely upon the steric properties of the substrate for stereocontrol, which limit their predictability and generality for pharmaceutical synthesis applications. In this work, we develop two synthetic methods for the amine- and hydroxyl-directed hydrogenation of benzofused arenes using Rh/C and Pt3Cu/SiO2 as heterogeneous catalysts, respectively. Mechanistic studies on the amine-directed reaction reveal that simultaneous adsorption of the amine and benzene functional groups to the Rh metal surface is extremely strong, outcompeting the adsorption of the benzene or amine individually and enabling good turnover and high diastereoselectivity toward the amine-directed product. A broad scope of benzofused scaffolds are effective substrates, generating up to four stereocenters in a single step. The utility of the method is demonstrated in the synthesis of a pyridine bisoxazoline compound derived from perhydro-cis-aminoindanol.","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"54 1","pages":""},"PeriodicalIF":12.9,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149209935","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}

{"title":"Nickel-Catalyzed β-Methyl Vinylation Using Allylamine as a Masked Alkenyl Electrophile","authors":"Ahyeon Cho,&nbsp;Yihan Tang,&nbsp;Jaehan Bae,&nbsp;Eun Jin Cho","doi":"10.1021/acscatal.6c06344","DOIUrl":"10.1021/acscatal.6c06344","url":null,"abstract":"<p>Direct activation of native C(sp²)–NH₂ bonds in alkenyl amines remains a largely unmet challenge in cross-coupling chemistry owing to their high bond dissociation energies, poor leaving-group ability, and competing tautomerization pathways. Herein, we report a nickel-catalyzed tandem deaminative coupling/alkene isomerization that bypasses these limitations, converting allylamine and arylboronic acids directly into (<em>E</em>)-β-methyl vinylarenes in a single base-free operation. Density Functional Theory (DFT) calculations reveal that DPEphos facilitates the key migratory insertion step, while deuterium-labeling experiments support a mechanism in which boronic acid initiates isomerization through formation of an active Ni–H species, followed by a net 1,3-hydrogen shift without requiring stoichiometric involvement of boronic acid. The method accommodates electronically diverse arylboronic acids and is readily performed on gram scale, providing a practical and stereoselective alternative to conventional olefination approaches.</p>","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"16 20","pages":"20691–20699"},"PeriodicalIF":13.6,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149049993","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}

{"title":"Spin-State Engineering of Tetrahedral Fe Sites Directs Selective NO Oxidation to Overcome the Activity-Selectivity Trade-off in NH3-SCR","authors":"Yue Xuan,&nbsp;Luyang Zhao,&nbsp;Xiao Zhu,&nbsp;Bin Wang,&nbsp;Yanjie Liang,&nbsp;Chuan Gao,&nbsp;Yang Yun,&nbsp;Dong Wang","doi":"10.1021/acscatal.6c04913","DOIUrl":"10.1021/acscatal.6c04913","url":null,"abstract":"<p>FeMn-based oxides are widely recognized as one of the most promising catalyst systems for low-temperature selective catalytic reduction (SCR) of NO_<em>x</em> with NH₃; however, their practical application is constrained by the intrinsic trade-off between activity and selectivity. Herein, Cr was introduced into FeMnO_<em>x</em> to regulate the oxidation behavior and reaction pathway through spin-state engineering of Fe sites. Cr doping induces a phase transformation from α-Fe₂O₃ to γ-Fe₂O₃ and generates high-spin tetrahedrally coordinated Fe (Fe_Td) sites. Consequently, FeMnCrO_<em>x</em> maintains NO_<em>x</em> conversions above 90% over a broad temperature window of 120–255 °C, while increasing N₂ selectivity at 175 °C from below 40% to above 90%, with satisfactory resistance toward H₂O and SO₂. Characterizations and density functional theory calculations reveal that the spin-polarized Fe_Td sites selectively channel activated oxygen toward NO oxidation rather than NH₃ over-oxidation. Fe_Td serves as the preferential adsorption and activation site for NO, and the enhanced orbital-selective π-backdonation between Fe_Td and adsorbed reactants (<em>d</em><em>x</em>²-<em>y</em>² → NO π^*, <em>d</em><em>xy</em> → O₂ π^*), enables cooperative NO^δ−/O₂^δ− activation, lowering the NO oxidation barrier from 2.25 to 1.41 eV. The enhanced NO₂ formation enables a Lewis-acid-mediated fast SCR pathway. This work establishes a strategy for directing oxidation capability toward desired reaction pathways through spin-state engineering, providing mechanistic insights into the design for overcoming activity-selectivity trade-offs in NH₃-SCR catalysis.</p>","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"16 20","pages":"20220–20234"},"PeriodicalIF":13.6,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092414","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}

{"title":"In Situ Hydrogen Utilization in Plastic Waste Recycling and Upcycling","authors":"Xinyang Sun,&nbsp;Hongshun Ran,&nbsp;Tao Guo,&nbsp;Yaxuan Jing","doi":"10.1021/acscatal.6c05704","DOIUrl":"10.1021/acscatal.6c05704","url":null,"abstract":"<p>The management of waste plastics poses a significant challenge due to their inherent chemical stability, large-scale production, and short service life. As plastics are primarily composed of carbon and hydrogen, there is growing interest in the high-value conversion of plastic waste for the targeted production of hydrogen. However, the thermodynamic constraints of the processes, along with the associated challenges in hydrogen storage and transportation, limit the practical application of hydrogen production technologies derived from plastic waste. Consequently, in situ utilization of hydrogen generated from plastic waste has emerged as a promising strategy. This perspective elucidates the fundamental principles of in situ hydrogen utilization and establishes a theoretical framework for evaluating existing studies and guiding future research. Based on this framework, we systematically assess the latest advancements, critically addressing the challenges encountered and proposing directions for future research. The objective of this paper is to provide a comprehensive roadmap for the efficient utilization of hydrogen energy derived from plastic waste, thereby facilitating the establishment of a hydrogen circular economy.</p>","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"16 20","pages":"19725–19751"},"PeriodicalIF":13.6,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092490","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}

{"title":"Regiodivergent Oxyfuctionalization of Non-natural Tricyclic Terpenoids Using Sequence Divergent Unspecific Peroxygenases (UPOs)","authors":"Lena Fraedrich,&nbsp;Bonnie Winter,&nbsp;Ahmed Hassanin,&nbsp;Henry Struwe,&nbsp;Gerald Dräger,&nbsp;Jörn Droste,&nbsp;Mehdi D. Davari,&nbsp;Andreas Kirschning,&nbsp;Martin J. Weissenborn","doi":"10.1021/acscatal.6c06279","DOIUrl":"10.1021/acscatal.6c06279","url":null,"abstract":"<p>Unspecific peroxygenases (UPOs) catalyze the H₂O₂-dependent monooxygenation of organic substrates with regioselectivity and chemoselectivity; however, their application to sterically demanding, non-natural terpene skeletons has remained largely unexplored to date. Here, we present a computationally-guided, multiparametric screening pipeline that was used to prioritize 17 structurally distinct UPOs and UPO-like enzymes for the late-stage oxyfunctionalization of chemoenzymatically synthesized tricyclic terpenoids not reported from natural sources. These are accessible via BcBOT2-catalyzed cyclization of non-natural farnesyl diphosphate analogs. The computer-aided pre-screening included an evaluation of expression levels, an analysis of the tunnel architecture for substrate access, and hierarchical docking using geometric criteria close to the attack conformation to rank candidate enzymes. Experimental screening of the prioritized enzymes identified productive UPO-substrate combinations showed correspondence between the docking-based regioselectivity predictions and the product profiles confirmed by GC–MS. <em>Mth</em>UPO FuncLib_18 catalyzed an “orchestrated” linear cascade of three consecutive oxidations of a furan sesquiterpenoid, converting it into an α-hydroxylactone—a transformation that mimics the natural oxidative diversification that biosynthetically follows terpene cyclization. In addition, a single inversion of the stereocenter in the furano sesquiterpenoids diastereomer pair redirected the regioselectivity of <em>M</em>spUPO-mg133 and <em>Chi</em>UPO-II to opposite sides of the furan ring. This finding thus represents a proof-of-concept for regioselectivity reversal through stereochemical changes in the substrate during UPO-catalyzed terpenoid oxidation. Additionally, we were able to access two structures with tertiary alcohols, difficult to achieve by chemical means. In silico comparison of AlphaFold 3 models, supported by multiple-sequence alignment, suggested that the <em>Monosporascus</em> UPOs characterized here form a distinct UPO/UPO-like subgroup characterized by an EHR catalytic motif, a shortened α-helix, an elongated loop, and an active-site lacking aromatic residues and exhibit comparatively the lowest predicted active-site hydrophobicity among all characterized UPOs. Molecular dynamics simulations, combined with an analysis of the near-attack-conformations of selected enzyme-substrate complexes, confirmed that only the experimentally observed oxidation positions achieve sustained proximity to the ferryl oxygen of compound I with catalytically suitable approach angles over timescales in the microsecond timescale. This work thus expands both the known sequence-structure space of catalytically competent UPOs and the accessible chemical space of terpenoids as substrates.</p>","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"16 20","pages":"20675–20690"},"PeriodicalIF":13.6,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149151426","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}