【标题速读】【Natcatal】【2023年】【1-4月】
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1.Antibiotic at work. Albicidin is an antibiotic exhibiting features that are sought-after in the fight against multidrug-resistant bacteria. Here, Jonathan G. Heddle, Roderich D. Süssmuth and Dmitry Ghilarov uncover the mechanism of action of this antibiotic inhibiting its target bacterial DNA gyrase, and present atomic-level details of the interaction via cryogenic electron microscopy studies.
工作中使用抗生素。Albicidin 是一种抗生素，在对抗多重耐药细菌方面具有广受欢迎的特性。在这里，Jonathan G. Heddle、Roderich D. Süssmuth 和 Dmitry Ghilarov 揭示了这种抗生素抑制其靶细菌 DNA 旋转酶的作用机制，并通过低温电子显微镜研究呈现了相互作用的原子级细节。
2.Delocalization state-induced selective bond breaking for efficient methanol electrosynthesis from CO2.
离域态诱导的选择性键断裂，用于从 CO2 中高效电合成甲醇。
3.Boron-catalysed hydrogenolysis of unactivated C(aryl)–C(alkyl) bonds.
未活化的 C（芳基）-C（烷基）键的硼催化氢解。
4.Catalytic mechanism for Renilla-type luciferases.
海肾型荧光素酶的催化机制。
5.Mechanistic and structural characterization of an iridium-containing cytochrome reveals kinetically relevant cofactor dynamics.
含铱细胞色素的机理和结构表征揭示了动力学相关的辅因子动力学。
6.Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin.
肽抗生素albicidin拓扑异构酶中毒的分子机制。
7.Promotion of adsorptive and catalytic properties of zeolitic Brønsted acid sites by proximal extra-framework Si(OH)x groups.
通过近端骨架外 Si(OH)x 基团促进沸石布朗斯台德酸位点的吸附和催化性能。
8.Blocking the reverse reactions of overall water splitting on a Rh/GaN–ZnO photocatalyst modified with Al2O3.
阻止 Al2O3 修饰的 Rh/GaN-ZnO 光催化剂上整体水分解的逆反应。
9.Thioester-mediated biocatalytic amide bond synthesis with in situ thiol recycling.
硫酯介导的生物催化酰胺键合成与原位硫醇回收。
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1.Machine bridges. Artificial intelligence and machine learning are becoming increasingly important in many aspects of twenty-first century life. This Focus issue provides an overview of how machine learning can be applied to facilitate rapid advances in catalyst discovery. The cover image comes from a Review by Hongliang Xin and colleagues, which discusses strategies to utilize machine learning to bridge the complexity gap that currently exists between real and computed catalytic systems.
机桥。人工智能和机器学习在二十一世纪生活的许多方面变得越来越重要。本期焦点概述了如何应用机器学习来促进催化剂发现的快速进展。封面图片来自 Hongliang Xin 及其同事的评论，其中讨论了利用机器学习来弥合当前真实催化系统与计算催化系统之间存在的复杂性差距的策略。
2.Exploring catalytic reaction networks with machine learning.
通过机器学习探索催化反应网络。
3.Bridging the complexity gap in computational heterogeneous catalysis with machine learning.
通过机器学习弥合计算异构催化的复杂性差距。
4.Machine learning-enabled retrobiosynthesis of molecules.
机器学习支持分子的逆生物合成。
5.Chemodivergent C(sp3)–H and C(sp2)–H cyanomethylation using engineered carbene transferases.
使用工程卡宾转移酶进行化学趋异 C(sp3)–H 和 C(sp2)–H 氰甲基化。
6.Ultrasmall amorphous zirconia nanoparticles catalyse polyolefin hydrogenolysis.
超小的无定形氧化锆纳米颗粒催化聚烯烃氢解。
7.Optimizing the p charge of S in p-block metal sulfides for sulfur reduction electrocatalysis.
优化 p 区金属硫化物中 S 的 p 电荷用于硫还原电催化。
8.Operando magnetic resonance imaging of product distributions within the pores of catalyst pellets during Fischer–Tropsch synthesis.
费托合成过程中催化剂颗粒孔内产物分布的操作磁共振成像。
9.Anti-Markovnikov hydrochlorination and hydronitrooxylation of α-olefins via visible-light photocatalysis.
通过可见光光催化进行 α-烯烃的反马尔可夫尼科夫氢氯化和氢硝基酰化。
10.Catalytic reforming of methane with H2S via dynamically stabilized sulfur on transition metal oxides and sulfides.
通过动态稳定的过渡金属氧化物和硫化物上的硫，用 H2S 催化重整甲烷。
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1.Oxidoreductase at the tip. Formate dehydrogenase is immobilized on a scanning tunnelling microscope tip to measure the kinetic turnover of its enzymatic reaction showing that the bound NADH directly converts to NAD+ via in situ hydride exchange.
尖端有氧化还原酶。将甲酸脱氢酶固定在扫描隧道显微镜尖端上，测量其酶促反应的动力学转换，显示结合的 NADH 通过原位氢化物交换直接转化为 NAD+。
2.Electrocatalytic dual hydrogenation of organic substrates with a Faradaic efficiency approaching 200%.
有机底物的电催化双氢化，法拉第效率接近 200%。
3.Supramolecular tuning of supported metal phthalocyanine catalysts for hydrogen peroxide electrosynthesis.
用于过氧化氢电合成的负载型金属酞菁催化剂的超分子调节。
4.Elucidating electron-transfer events in polypyridine nickel complexes for reductive coupling reactions.
阐明用于还原偶联反应的聚吡啶镍配合物中的电子转移事件。
5.Elemental zoning enhances mass transport in zeolite catalysts for methanol to hydrocarbons.
元素分区增强了沸石催化剂中甲醇到碳氢化合物的传质。
6.Catalytic cycle of formate dehydrogenase captured by single-molecule conductance.
单分子电导捕获的甲酸脱氢酶的催化循环。
7.Influence of framework Al density in chabazite zeolites on copper ion mobility and reactivity during NOx selective catalytic reduction with NH3.
菱沸石中骨架铝密度对氨选择性催化还原 NOx 过程中铜离子迁移率和反应活性的影响。
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1.Super CO2. In their work, Damien Voiry and colleagues employ a CO2 supersaturation strategy to promote electrodeposition of a highly alloyed Cu–Ag catalyst and its subsequent selectivity towards 2-propanol in the electrocatalytic reduction of CO2.
超级二氧化碳。Damien Voiry 及其同事在他们的工作中采用了 CO2 过饱和策略来促进高合金 Cu-Ag 催化剂的电沉积及其随后在 CO2 电催化还原中对 2-丙醇的选择性。
2.Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing.
冷冻电镜揭示了四膜虫 I 组内含子自剪接的动态。
3.Selective synthesis of butane from carbon monoxide using cascade electrolysis and thermocatalysis at ambient conditions.
在环境条件下使用级联电解和热催化从一氧化碳选择性合成丁烷。
4.Unlocking direct CO2 electrolysis to C3 products via electrolyte supersaturation.
通过电解质过饱和将二氧化碳直接电解为 C3 产品。
5.Stereoselective conjugate cyanation of enals by combining photoredox and organocatalysis.
通过结合光氧化还原和有机催化对烯醇进行立体选择性共轭氰化。
6.Reaction environment impacts charge transfer but not chemical reaction steps in hydrogen evolution catalysis.
反应环境影响电荷转移，但不影响析氢催化中的化学反应步骤。
7.Metal surfaces catalyse polarization-dependent hydride transfer from H2.
金属表面催化来自 H2 的偏振相关氢化物转移。
8.Origin of active sites on silica–magnesia catalysts and control of reactive environment in the one-step ethanol-to-butadiene process.
一步乙醇制丁二烯过程中二氧化硅-氧化镁催化剂活性位点的起源和反应环境的控制。
