ACS CatalysisACS催化
ACS Catalysis(英文缩写 ACS CATAL),ISSN 2155-5435,eISSN 2155-5435,中文译名:ACS催化 是一本学术期刊。本页汇总该期刊的最新影响因子、分区信息以及最新收录于 PubMed 的文献,帮助您快速了解期刊全貌。
发文量统计区间：2025-09-28 至 2026-09-28，按本站收录文献的发表日期统计。
期刊介绍
历年影响因子趋势
| JCR 数据年份 | 影响因子 | JCR 分区 |
|---|---|---|
| 2021 | 13.700 | Q1 |
| 2022 | 12.900 | Q1 |
| 2023 | 11.300 | Q1 |
| 2024 | 13.100 | Q1 |
| 2025 | 13.600 | Q1 |
ACS Catalysis 最新收录文献
-
1. Sequence-guided engineering of a bacterial diterpene synthase induces further cyclization.
1. 序列引导的细菌二萜合酶工程诱导进一步环化PMID:日期:2026-09-04Enzyme engineering serves as a powerful tool in biocatalysis, enabling the development of enzymes with improved stability, activity, and specificity for a range of academic, industrial, and pharmaceutical applications. However, a limited understanding of sequence-structure-function relationships in terpene synthases, the enzymes that form the complex polycyclic hydrocarbon skeletons of terpenoid natural products, presents a major challenge in predicting and engineering the products of terpene synthases. In this study, we investigated the product profiles of two bacterial variediene synthases, OdVS from and PsVS from , and found that they share some products with the bacterial phomopsene synthase, PmS from , despite low sequence similarity. Thirteen diterpenes were isolated and structurally elucidated including two previously unreported compounds. A series of variants of OdVS, PsVS, and PmS were constructed by targeting conserved residues around the active site and aided in the identification of key residues that control the cyclization pathway. Ultimately, mutation of a single residue, PsVS, was found to switch the major product of PsVS from the tricyclic variediene to the tetracyclic phomopsene, although this switch came at the cost of significantly reduced overall yield indicating a tradeoff between activity and product diversification.
-
2. Iridium-Catalyzed ortho-Directed C-H Borylation of Nitroarenes.
PMID:日期:2026-08-20ortho-Boryl nitroarenes have vast applications as building blocks in organic synthesis. Traditional methods of synthesizing these compounds require an ortho-halo nitroarene starting material and often stringent conditions. Directed ortho-borylation of nitroarenes presents an alternative, attractive strategy that could utilize simple nitroarenes as a feedstock. Herein, we report a cationic iridium pre-catalyst and triarylarsine ligands as competent catalyst systems that selectively borylate nitroarenes at the ortho position. This nitro-directed C-H borylation tolerates a wide range of substrates, providing access to diverse ortho-boryl nitroarenes in high yield that can either be isolated directly or reacted without purification to provide functionalized nitroarenes. Finally, we also demonstrate that ortho-boryl nitroarenes can serve as a platform for the synthesis of diverse aromatic products, including in the preparation of 1,2-difunctionalized arenes.
-
3. {"_":"Heterogeneous Palladium(0) Catalysts for C(sp)-H Activation and Coupling to Form Hindered C-C Bonds.","sup":["3"]}
PMID:日期:2026-08-07Herein we explore the mechanism of palladium catalyzed alkylation of tertiary carbon centers predisposed to form captodative radical intermediates. SEM analysis of the isolated material from the reaction supports a heterogeneous palladium as the active catalyst. The reaction can also be carried out with commercially available Pd/C catalysts which feature a scope including previously failed substrates. A range of mechanism experiments and DFT calculations provide support for a catalytic cycle involving heterogeneous palladium. The potential of a favorable Pd(0) oxidative addition to a C-H bond vs a concerted metalation deprotonation from a more oxidized form of palladium is of particular interest. These discoveries provide the impetus to explore additional heterogeneous catalysts in C-H activation and to design of further effective substrates in these types of transformations.
-
4. Recognition of a Conserved Minimal Catalaphile Explains Catalyst Generality in Enantioselective Nitroalkene Reductions.
PMID:日期:2026-07-03In catalyst development for asymmetric synthesis, generality is most often an aspirational goal rather than a reality, driven by the direct relationship between catalyst utility and product access. Strategies and tools have been developed to prospect and identify catalyst generality, but the mechanistic underpinnings for generality remain unclear. Here we investigate the selectivity-generality paradox for chiral Amidine Amide (AmA) catalyzed nitroalkene reductions, identifying the origin of generality using both experimental and computational approaches. Use of an Independent Gradient Model (IGMH) and Non-Covalent Interaction maps (NCImaps) reveal a stark contrast in recognition modes: while limited-scope catalysts rely on adaptive Van der Waals interactions that vary with substrate structure, the general AmA catalyst utilizes a conserved hydrogen-bonding network that recognizes the nitroethylene moiety-the minimal catalaphile. This understanding provides a framework for elucidating how early development focused on generality can be propagated through rational design, supported by computation, and translated to the broadest possible application. We posit that the minimal catalaphile concept, and its prioritization in development, could be a coalescing principle in hypothesis-driven development of privileged catalysts.
-
5. The Expanding Reactivity of Cobamide-Containing Proteins: From Mechanistic Understanding to Non-native Biocatalysis.
PMID:日期:2026-07-03Cobamides are tetrapyrrole cofactors whose core structure, diverse axial ligands, and ability to access distinct redox states underpin the reactivity of a variety of enzymes, including isomerases, methyltransferases, and reductive dehalogenases. These enzymes leverage precise scaffold-controlled interactions to direct radical rearrangement, methyl group transfer, and reductive bond cleavage with high selectivity and efficiency. Despite these capabilities, the native reactivity of cobamide-dependent enzymes remains relatively underutilized for biocatalysis, and their use as catalysts for non-native reactions has only recently emerged as a promising frontier. Mechanistic studies and advances in protein engineering and synthetic biology are beginning to establish these enzymes and other cobamide-containing proteins as versatile platforms for selective C-C bond formation, C-H functionalization, alkylation, and other transformations. This perspective summarizes key mechanistic aspects of cobamide-containing protein function, highlights progress in native biocatalysis and discusses emerging strategies to exploit cobamide-containing proteins for non-native biocatalysis.
-
6. Transmetallation by Halogen-Cyanide Metathesis in Water: Application to Cyanide Ion-Free Palladium Catalyzed Cyanation.
PMID:日期:2026-06-19Aryl nitriles are important synthons in organic chemistry, yet conventional cyanation methods mostly generate free cyanide ions, creating acute safety hazards and wastewater contamination issues. We report a Pd-catalyzed cyanide ion-free cyanation of aryl halides featuring a transmetallation potentially via halogen-cyanide (CN) metathesis using potassium ferrocyanide as a bound CN reservoir. Mechanistic studies, CN-sensing strip tests, and IR spectroscopy confirm that no free CN⁻ is released at any stage, eliminating toxicity and downstream CN liabilities. Stable AshPhos-Pd nanoparticles formed within HPMC enable efficient cyanation across diverse (hetero)aryl bromides and chlorides under mild conditions. This approach likely combines process safety and environmental compliance, offering a scalable solution for late-stage CN installation without the risks associated with free cyanide.
-
7. Fast Motions in 5 Alpha Reductase and Its Impact on Enzyme Kinetics.
PMID:日期:2026-05-19Behind the catalytic efficiency of enzymes lies a finely tuned dynamic interplay among residues that cooperatively orchestrate the reaction. Steroid 5α-reductase type 2 (SRD5A2) catalyzes NADPH-dependent reduction of testosterone to dihydrotestosterone through sequential hydride and proton transfer. Our study addresses fundamental gaps in understanding the catalytic mechanism-activation barriers, rate-promoting dynamics, and electrostatic contributions-none of which have been characterized to date. Using QM/MM simulations with transition path sampling, we have shown how molecular motions can impact the kinetics of a catalytic reaction. We have found that two residues, Tyr33 and L224, have a compression effect on the donor, which not only brings a significant change in the free energy barriers but can also perturb the local electric field, which supports the preorganization theory. Along with that, we have found, through extensive committor analysis, 6 additional residues, Trp53, Arg94, Cys119, Glu197, Phe223, and Arg227, that constitute an extended reaction coordinate network, stabilizing transition states through coupled electrostatic and structural interactions. Analysis of the disease-associated L224P mutant reveals that loss of the L224 compression eliminates field enhancement and increases barriers by 3.3-3.4 kcal/mol, establishing that efficient catalysis requires temporal orchestration of dynamics and electrostatics across the extended protein architecture.
-
8. Electrochemical Oxygen-Atom Transfer to Alkenes and Pyridines with a Mn-Porphyrin Catalyst Using Water as the Source of Oxygen.
PMID:日期:2026-05-15Oxygen-atom transfer (OAT) reactions, such as epoxidation, often use stoichiometric high-energy oxygen donors that present safety hazards, especially on large scale. Electrochemistry provides a means to replace these reagents with water as the O-atom donor. Here, we identify an electron-deficient Mn-porphyrin electrocatalyst that enables efficient OAT to alkenes and pyridines to access epoxides and -oxides. The scope of the reaction includes terminal and electron-deficient alkenes that often prove challenging with other chemical and electrochemical methods. Direct comparisons with two chemical oxidation methods, (i) stoichiometric -chloroperoxybenzoic acid and (ii) the same Mn-porphyrin catalyst with PhI(OAc) as the oxidant, highlight the merits of the electrochemical reaction. Prospects for scalable application of the method is demonstrated through oxidation of pharmaceutically relevant alkenes in a stirred tank electrochemical reactor.
-
9. {"_":"Reactive Trapping of Dilute Methane Emissions by Surface Oxygen Intermediates on Copper Zeolites for Total Oxidation to CO.","sub":["2"]}
PMID:日期:2026-05-11Through reactive trapping, Cu-zeolites are shown to catalytically remove methane at 2 ppm, oxidizing it to CO in air at 350 °C. Partial reaction orders are 0.56-0.75 in CH and quasi-zero in O. Together with kinetic analysis of reaction steps in O activation, this indicates that, along with the first CH reaction step, O-O bond breakage is also kinetically relevant, presenting a useful catalyst design target. Among tested zeolites, CuNaMFI (Si/Al = 14.3, Cu/Al = 0.53) exhibits optimal performance and stability, especially through low Brønsted acidity and its formation of dispersed Cu/O species that perform oxidative trapping of dilute methane.
-
10. {"_":"Fe(III)/Pyridine N-oxide LMCT Photocatalysis for Unactivated C(sp)-H Functionalizations.","sup":["3"]}
PMID:日期:2026-05-07Heteroatom-centered radical-mediated hydrogenatom transfer (HAT) has emerged as a powerful tool for C-H functionalization, yet selective activation of unactivated C(sp)-H bonds, especially at the primary sites, remains a significant challenge. Here, we report an Fe(III)/pyridine N-oxide (PNO) catalytic system that harnesses ligand-to-metal charge transfer (LMCT) excitation to access highly electrophilic cationic N-oxy radicals from readily available PNOs, enabling diverse HAT-mediated functionalization of unactivated C(sp)-H bonds. This LMCT system enables the catalytic generation of reactive cationic N-oxy radicals, such as the pentachloropyridine N-oxy radical, which are inaccessible by conventional outer-sphere photoredox catalysis. The synthetic application of the Fe(III)/PNO LMCT system was highlighted by using pentachloropyridine N-oxide as a selective HAT agent for primary C(sp)-H bonds, affording up to 20:1 regioselectivity in hydrazination of alkanes, aliphatic ketones/esters/nitriles, protected amines/alcohols, and amino acids. Computational and kinetic studies were performed to elucidate the reaction mechanisms, revealing that HAT by cationic N-oxy radicals is highly facile and reversible, effectively leveling the intrinsic energy barrier among various C-H bonds.