Angelina Evtushkova,Jason M J J Heinrichs,Alexander Parastaev et al.
Angelina Evtushkova et al.
Achieving selective conversion of CO2 to CO, CH4, or CH3OH remains a key challenge in catalyst design for CO2 hydrogenation. Site-specific activity at the metal-support interface plays a crucial role, motivating efforts to optimize metal pa...
Hansaem Jang,Ciarán O&#x;Brien,Nathaniel J D Hill et al.
Hansaem Jang et al.
Extensive research efforts have been concentrated into the conversion of CO2 into value-added chemicals as it provides a route to a circular carbon economy. Electroreduction of CO2 on Au surfaces allows for the selective transformation of C...
Discovering Ni/Cu Single-Atom Alloy as a Highly Active and Selective Catalyst for Direct Methane Conversion to Ethylene: A First-Principles Kinetic Study [0.03%]
基于第一性原理的动力学研究直接由甲烷选择转化为乙烯的高活性和高选择性的催化剂：Ni/Cu单原子合金
Manish Kothakonda,Sarah LaCroix,Chengyu Zhou et al.
Manish Kothakonda et al.
Direct methane conversion to liquid fuels or value-added chemicals is a promising technology to utilize natural resources without resorting to further petroleum extraction. However, discovering efficient catalysts for this reaction is chall...
Single Atom Engineering for Electrocatalysis: Fundamentals and Applications [0.03%]
单原子电催化工程：从基础研究到应用探索
Mario Urso,Xiaohui Ju,Radhika Nittoor-Veedu et al.
Mario Urso et al.
The global transition to sustainable energy production revolves around innovations in electrocatalysis, the cornerstone of energy conversion technologies. Over the years, catalysts have evolved from bulk materials to nanoparticles (NPs) and...
Stereocontrolled Construction of Multi-Chiral [2.2]Paracyclophanes via Cobaltaphotoredox Dual Catalysis [0.03%]
钴光红催化对映选择性构建多手性的[2.2]并环芳烃化合物
Yang Xu,Neeraj Kumar Pandit,Silvia Meraviglia et al.
Yang Xu et al.
Ortho-/pseudo-disubstituted multichiral [2.2]-paracyclophanes (PCPs) represent privileged scaffolds for asymmetric catalysis, finding extensive applications as chiral ligands in organic synthesis and functional materials. However, enantiose...
Imine-Oxazoline (ImOx): A C 1‑Symmetric N, N‑Bidentate Ligand for Asymmetric Catalysis [0.03%]
用于手性催化的C1对称的N,N-双齿亚胺噁唑啉配体(ImOx)
Elliot S Silk,Haozhe Zhu,Alexander G Shtukenberg et al.
Elliot S Silk et al.
Asymmetric catalysis relies on the design of chiral ligands, but the variety of nitrogen-based ligands remains limited. To address this gap, we have developed a class of C 1-symmetric N,N-bidentate ligands, imine-oxazoline (ImOx), derived f...
The Synergistic Effect of Combining Electron Transfer and Photoactivation in Hydroxyapatite/ZrO2 Nanocomposites Promotes Efficient Nitrogen-to-Ammonia Fixation Reaction [0.03%]
羟基磷灰石/氧化锆纳米复合材料中电子转移和光活化的协同作用促进了高效的氮 fixation反应生成氨
Marc Arnau,Lukas Pielsticker,Walid Hetaba et al.
Marc Arnau et al.
Catalytically active hydroxyapatite (ca-HAp) decorated with zirconia nanoparticles (ZrO2 NPs) is presented as a nanocomposite catalyst (ca-HAp/ZrO2) capable of performing highly efficient nitrogen to ammonia (N2-to-NH3) fixation reactions u...
Electrochemical Activation of Ni-Fe Oxides for the Oxygen Evolution Reaction in Alkaline Media [0.03%]
用于碱性介质中析氧反应的镍铁氧化物的电化学活化
Emily K Volk,Melissa E Kreider,Daniella M Gibson Colón et al.
Emily K Volk et al.
The oxygen evolution reaction (OER) is essential to many key electrochemical devices, including H2O electrolyzers, CO2 electrolyzers, and metal-air batteries. NiFe oxides have been historically identified as active for the OER, though they ...
Pathways of Photocatalytic Oxidation of Formic Acid on Dry and Hydrated Anatase TiO2 Surfaces [0.03%]
干燥和水合锐钛矿TiO2表面上甲酸光催化氧化路径的区别研究
Chiara Daldossi,Cristiana Di Valentin,Annabella Selloni
Chiara Daldossi
The photocatalytic oxidation of formic acid (FA), which is one of the most abundant volatile organic compounds, is a promising air remediation technology inspired by nature. However, the detailed mechanism of this photocatalytic reaction on...
Insights into the Enhanced Ceftazidime Hydrolysis by Ent385 AmpC β‑Lactamase from Multiscale Simulations [0.03%]
基于多尺度模拟的Ent385 AmpCβ-内酰胺酶增强头孢他啶水解的见解
Anderson H Lima,Marc W van der Kamp
Anderson H Lima
The emergence of multidrug-resistant bacteria poses a significant threat to public health. Particularly, they are becoming increasingly resistant to β-lactam antibiotics, which are one of the most important drug classes for the treatment o...