Sebastian Z Oener
Sebastian Z Oener
Hao Zhang,David Raciti,Anthony Shoji Hall
Hao Zhang
There is growing interest in the conversion of CO2 and CO into energy-dense multi-carbon products to help mitigate climate change, but guiding selectivity remains challenging due to competing pathways. Here we show that tuning the structure...
Tristan von Münchow,Lutz Ackermann
Tristan von Münchow
Bottom-up computational design of shape-selective organic macrocycles for humid CO2 capture [0.03%]
自下而上的计算设计手性选择性有机大环用于湿度可控二氧化碳捕获
Tao Liu,Hang Qu,Sam D Harding et al.
Tao Liu et al.
The capture of CO2 emissions using porous solids is challenging because polar water molecules bind more strongly in most materials than non-polar CO2 molecules. This is a challenge for both flue gas capture and for direct air capture alike....
Strong dipole-promoted N-O bond hydrogenolysis enables ampere-level electrosynthesis of methylamine [0.03%]
强偶极子促进的N-O键氢解用于安培级电解合成甲胺
Rui Li,Rong Yang,Qian Li et al.
Rui Li et al.
The electrochemical hydrogenolysis of nitromethane in water could provide a sustainable route for accessing methylamine, one of the simplest alkyl amines and most commonly used bulk chemicals. However, present efforts achieve only methylami...
Synthesis of highly strained para-cyclophanes via ring-expansion [5,5]-sigmatropic rearrangement reaction [0.03%]
环扩张[5,5]-σ重排反应合成高度扭曲的对称联苯并四环化合物
Zhonghong Chen,Weihao Yang,Maomao Jia et al.
Zhonghong Chen et al.
para-Cyclophane scaffolds, characterized by their 1,4-disubstituted benzene frameworks, represent a structurally unique and biologically important class of compounds. Despite their extensive presence in natural products and bioactive molecu...
Navigating protein landscapes with a machine-learned transferable coarse-grained model [0.03%]
基于机器学习的蛋白质粗粒化模型探索蛋白质构象空间
Nicholas E Charron,Klara Bonneau,Aldo S Pasos-Trejo et al.
Nicholas E Charron et al.
The most popular and universally predictive protein simulation models employ all-atom molecular dynamics, but they come at extreme computational cost. The development of a universal, computationally efficient coarse-grained (CG) model with ...
Engineered reactivity of a bacterial E1-like enzyme enables ATP-driven modification of protein and peptide C termini [0.03%]
工程菌E1酶活性使ATP驱动蛋白及肽类C端修饰成为可能
Clara L Frazier,Debashrito Deb,William E Leiter et al.
Clara L Frazier et al.
In biological systems, adenosine triphosphate (ATP) provides an energetic driving force for peptide bond formation, but protein chemists lack tools that emulate this strategy. Here we develop an ATP-driven platform for C-terminal activation...
Energy transfer-enabled enantioselective photocyclization using a privileged Al-salen catalyst [0.03%]
使能能量转移的 privileged Al-salen 催化剂手性光环化反应
Julia Soika,Carina Onneken,Thorben Wiegmann et al.
Julia Soika et al.
Chiral catalysts that can engage multiple substrates, via distinct ground-state activation modes, to deliver enantioenriched products with high levels of fidelity are often described as 'privileged'. Achieving generality in excited-state pr...