Decoding Enzymatic Dechlorination with Multiscale Modeling: Mechanistic Insights into Native Haloalkane Dehalogenase from Xanthobacter autotrophicus and Its Designed Variants [0.03%]
多尺度建模解析酶促脱氯作用：色诺杆菌自养菌天然卤代烷脱卤酶及其设计变体的作用机制
Natalia Gelfand,Arieh Warshel
Natalia Gelfand
Chlorinated hydrocarbons are widely used as solvents and synthetic intermediates, but their chemical persistence can cause hazardous environmental accumulation. Haloalkane dehalogenase from Xanthobacter autotrophicus (DhlA) is a bacterial e...
Studies of Isonitrile Synthases Help Elucidate the Mechanism of Isonitrile Installation [0.03%]
异氰化物合成酶的研究有助于阐明异氰化物的安装机制
Tzu-Yu Chen,Wantae Kim,Mo Guo et al.
Tzu-Yu Chen et al.
Isonitrile functional group is abundant in natural products and associated with various biological properties. To date, two pathways are known for isonitrile group installation. One is catalyzed by mononuclear nonheme iron dependent isonitr...
Structure-Guided Mechanistic Investigation of Stereochemical Inversion during the Octose Formation Catalyzed by an Atypical Transaldolase AprG in the Biosynthesis of Apramycin [0.03%]
非典型性转酮酶AprG催化链丝春雷霉素生物合成中八碳糖形成的立体化学反转的机制研究
Wantae Kim,Po-Hsun Fan,Junling Bu et al.
Wantae Kim et al.
Transaldolases are essential enzymes across all life domains, facilitating the exchange of aldol fragments in metabolic processes. AprG, a transaldolase in the apramycin biosynthetic pathway, catalyzes the incorporation of C7' and C8' moiet...
Pd-Catalyzed Chemoselective O‑Benzylation of Ambident 2‑Quinolinone Nucleophiles [0.03%]
钯催化双功能喹啉酮亲核试剂的选择性邻苯甲酰化反应
Melissa Cadena,Roberto Silva Villatoro,Jyoti Shah Gupta et al.
Melissa Cadena et al.
We have discovered and developed a highly chemoselective O-benzylation of ambident 2-quinolinone nucleophiles via Pd-catalysis. Detailed reaction analysis using direct-injection high resolution mass spectrometry (DI-HRMS) combined with in s...
Formate-Mediated C-C Coupling of Aryl/Vinyl Halides and Triflates: Carbonyl Arylation and Reductive Cross-Coupling [0.03%]
甲醛酯介导的芳基/烯基卤化物和 triflate 的 C-C 偶联：羰基芳基化及还原交叉偶联反应
Yu-Hsiang Chang,Yoon Cho,Weijia Shen et al.
Yu-Hsiang Chang et al.
Catalytic methods for the intermolecular formate-mediated C-C coupling of Csp2-X pronucleophiles beyond reductive Heck reactions (alkene hydroarylations) are catalogued. These methods include transfer hydrogenative reductive couplings of ar...
Three-Component Catalytic Amino Etherification of Alkenes: Enabled by Silyl Ether-Promoted C-O Coupling [0.03%]
三组分催化亚胺烯烃氨基乙基化反应：硅醚促进的C-O偶联实现
Guangshou Feng,Andrew L Nguyen,Qiu Wang
Guangshou Feng
A three-component amino etherification of alkenes presents an ideal and direct strategy to access high-value 1,2-alkylamino ethers yet remains challenging. Herein, we disclosed a catalytic three-component amino etherification of alkenes tha...
Proton-Relaying Adsorbates Induce Non-Nernstian Behavior in Oxygen Reduction [0.03%]
质子传递吸附物诱导氧还原发生非能斯特行为
Lulu Zhang,Dongchen Zhao,Weiqiang Tang et al.
Lulu Zhang et al.
Proton-coupled electron transfer (PCET) is central to energy conversion processes in fuel cells, electrolysis, and biological systems. According to the Nernst equation, the equilibrium potential of PCET shifts by around -60 mV/pH relative t...
Correction to "A Practical Start-Up Guide for Synthetic Chemists to Implement Design of Experiments (DoE)" [0.03%]
"实施设计实验(DOE)的实用启动指南"的勘误通知
Brendan J Wall,Mason T Koeritz,Levi M Stanley et al.
Brendan J Wall et al.
[This corrects the article DOI: 10.1021/acscatal.5c01626.]. © 2025 The Authors. Published by American Chemical Society.
Published Erratum
ACS catalysis. 2025 Aug 1;15(16):14267. DOI:10.1021/acscatal.5c05143 2025
Diego Ontiveros,Sergi Vela,Francesc Viñes et al.
Diego Ontiveros et al.
The increasing demand for clean and renewable energy has intensified the exploration of advanced materials for efficient photocatalysis, particularly for water splitting applications. Among these materials, MXenes, a family of two-dimension...
Denis Smyshliaev,Martin Pfeiffer,Udo Oppermann et al.
Denis Smyshliaev et al.
GDP-l-fucose is a universal sugar donor for the cellular biosynthesis of l-fucose-containing glycans. Its supply comes primarily from the reaction of GDP-l-fucose synthase (GFS), also known as GDP-4″-keto-6″-deoxy-d-mannose epimerase/redu...