Transforming Adsorption-Energy Linear Correlations via Rescaling and Segmentation [0.03%]
通过缩放和分割转换吸附能量的线性相关性
Nerea Azcona-Aliende,Paramaconi Rodriguez,Federico Calle-Vallejo
Nerea Azcona-Aliende
Scaling relations between the adsorbed intermediates of the oxygen evolution reaction (OER) affect the efficiency of electrocatalysts. Recent efforts have been devoted to finding individual departures from scaling relations by numerous stra...
Emily S Arnold,Isaiah K Eckart-Frank,Sidney M Wilkerson-Hill
Emily S Arnold
Transition-metal catalysis has fundamentally transformed the way we construct molecules because of the ability of d-block elements to couple two structurally complex molecular fragments. Suzuki and Negishi-type cross-coupling methods are pr...
Chemoenzymatic Synthesis of Norisoprenoid Aroma Compounds via C-H Activation by Engineered P450BM3 [0.03%]
工程化P450bm3介导的C-H活化的norisoprenoid香气化合物的化学酶法合成
Wenyu Chen,Rory Woodhouse,Yuan Zhang et al.
Wenyu Chen et al.
Norisoprenoid compounds such as the damascones, damascenones, and megastigmatrienones are widely used in the flavor and fragrance industry. Their low natural abundance and the limitations of traditional synthetic routes, such as high energy...
Dual-Ligand System for Mild Decarbonylative Suzuki-Miyaura Cross-Coupling of Aroyl Chlorides [0.03%]
用于芳基氯的温和脱羰SUZUKI-MIYAURA交叉偶联的双配体系统
Marcus H Sak,Yichen Jiang,Eric N Jacobsen et al.
Marcus H Sak et al.
Cooperativity between a pair of phosphine ligands enables general Pd-catalyzed decarbonylative Suzuki-Miyaura cross-couplings between (hetero)-aroyl chlorides and (hetero)-arylboronic acids under mild conditions. Experimental and computatio...
Enantioselective Synthesis of Axially Chiral Spiro[3.3]heptanes by Site-Selective C-H Functionalization [0.03%]
位点选择性C-H官能团化法合成轴手性螺[3.3]庚烷
Duc Ly,Ziyi Chen,Djamaladdin G Musaev et al.
Duc Ly et al.
The enantioselective synthesis of axially chiral 2,6-disubstituted spiro[3.3]-heptanes is challenging because the differentiating functionalities are far apart from each other. The known enantioselective methods to generate these compounds ...
Gas Bubble Stabilization Limits Tetraalkylammonium-Enhanced Hydrogen Evolution [0.03%]
气体泡稳定限制四烷基铵增强的氢演化反应
Julia Fernández-Vidal,Kathryn J Vannoy,Aleksandr Bashkatov et al.
Julia Fernández-Vidal et al.
Pt is the most active single-metal HER catalyst in acidic media, but its performance drops sharply in alkaline electrolytes. While recent studies have shown that tetraalkylammonium (TAA+) cations can enhance alkaline HER by restructuring in...
Few-Shot Ensemble Learning for Catalysis and Application to Trimetallics for Oxygen Reduction [0.03%]
基于三金属催化剂的少样本学习合金催化酶活性预测方法研究
Avery F Hill,Andrea Ruiz-Escudero,Matthew M Montemore
Avery F Hill
Machine-learned interatomic potentials (MLIPs) are increasingly used to accelerate catalyst discovery, but their accuracy and utility are often unclear, particularly when applying them to different computational setups or design spaces than...
Slowdown of Enzymatic Cellulose Conversion Emerges from Cellulase Mode of Action [0.03%]
纤维素酶作用方式导致纤维素 enzymatic 解聚动力学减速现象的出现与机理研究
Manuel Eibinger,Gaurav Singh Kaira,Bernd Nidetzky
Manuel Eibinger
The problem of early slowing of the conversion rate in cellulose hydrolysis, and the resulting large amounts of cellulase enzymes required to achieve just useful conversion efficiencies, remains a major obstacle in the development of cellul...
Coordination-Induced Spin Modulation: Overcoming Spin Blocking in C-H Methylation with High-Spin Ferrous Complexes [0.03%]
配体协同调控的自旋变化：高 spin 价态亚铁配合物活化 sp2C–H 甲基化反应
Tianyi Zhang,Matthew V Pecoraro,Paul J Chirik
Tianyi Zhang
Understanding spin state changes and their influence on the reactivity of earth-abundant transition metal complexes is essential for unlocking the full potential of these elements. While precedented in biological contexts and related model ...
Tyler A Alsup,Diana P Łomowska-Keehner,Melvin Osei Opoku et al.
Tyler A Alsup et al.
UbiA-type terpene synthases, traditionally annotated as prenyltransferases, have been shown to catalyze terpene cyclization in recent years, expanding their catalytic repertoire beyond primary metabolism. Here, we report on the genome-guide...