Multicomponent Betti reaction affords covalent organic framework nanoreactor for palladium-catalyzed nitroarene reduction [0.03%]
多组分贝蒂反应得到用于钯催化硝基芳烃还原的共价有机框架纳米反应器
Neda Salarinejad,Mohammad Dinari,Jonas Lins et al.
Neda Salarinejad et al.
Multicomponent reactions (MCRs) offer a sustainable and efficient pathway to complex molecular architectures. Here, we show the design and synthesis of a α-amino(2-hydroxybenzyl)-linked covalent organic framework (Betti-COF) via a one-pot,...
Fine-tuning large language models to generate single-atom catalyst synthesis procedures [0.03%]
通过微调大型语言模型来生成单原子催化剂合成程序
Manu Suvarna,Matteo Manica,Fillipo Ficarra et al.
Manu Suvarna et al.
Heterogeneous catalyst design is primarily expert-driven and difficult to keep track amidst rapidly growing literature, motivating the use of large language models (LLMs) to learn from existing knowledge. While generalist LLMs show some cap...
Sulfated prism[6]arene as a water-soluble host for molecular recognition of dye pollutants in aqueous environments [0.03%]
水环境下用于染料污染物分子识别的水溶性客体化合物硫酸盐棱柱[6]芳烃
Anna Palmieri,Paolo Della Sala,Rocco Del Regno et al.
Anna Palmieri et al.
The contamination of urban groundwater by synthetic organic compounds represents a growing environmental concern; therefore, the development of supramolecular systems capable of selectively recognizing pollutants in aqueous environments is ...
Target-driven machine learning-enabled virtual screening (TAME-VS) enables prioritization of AKR1C3 inhibitors [0.03%]
目标驱动的机器学习虚拟筛选(TAME-VS)能够优先选择AKR1C3抑制剂
Longjiang Qiao,Xinyu Li,Shuaishuai Xing et al.
Longjiang Qiao et al.
Machine learning-guided virtual screening has the potential to accelerate early-stage drug discovery, but its practical utility is often limited by uncertain generalization to different chemical scaffolds and by insufficient prospective eva...
Felicitas von Usslar,Büşra Ece Günaydın,Cordt Zollfrank
Felicitas von Usslar
Cellulose fibrils are a renewable and biodegradable resource, but their extraction typically requires complete destruction of the original wooden matrix. We present a targeted strategy that enables selective liberation of cellulose microfib...
Electronic and steric effects of phosphine ligands on the linear regioselectivity of propylene methoxycarbonylation [0.03%]
膦配体的电子和立体效应在丙烯甲氧基 carbonylation 反应中的线性区域选择性中的作用
Chao Kong,Qin Zhong,Dinghua Liu et al.
Chao Kong et al.
The propylene methoxycarbonylation is a potential atom-economical reaction for the synthesis of butyrate esters, which minimizes wastewater discharge and alleviates subsequent separation difficulties. However, to the best of our knowledge, ...
Discovery of a low-density filled-ice phase in nitrogen hydrate at high pressure [0.03%]
高压下氮气水合物低密度填隙冰相的发现
Selene Berni,Sophie Espert,Tomasz Poręba et al.
Selene Berni et al.
Nitrogen, Earth's most abundant atmospheric component, in the presence of water, is known to form clathrate hydrates, that are relevant to model the evolution of water-rich planets and satellites. Here, we map the high-pressure phase diagra...
An algorithmic framework for full-order physics-based simulations of electrochemical impedance spectroscopy [0.03%]
电化学阻抗谱法的全阶物理基础模拟算法框架
Toshan Wickramanayake,Kamyar Mehran
Toshan Wickramanayake
Simulated electrochemical impedance spectroscopy (sEIS) is a powerful technique for non-invasive analysis of lithium-ion batteries (LiBs). It virtually replicates experimental EIS by applying small-signal current perturbations to a physics-...
A bacteriophytochrome Pr/Pfr heterodimer studied through single-particle time-resolved cryo-electron microscopy [0.03%]
通过单粒子低温电子显微镜研究噬菌叶绿素原胆碱Pr/Pfr异二聚体
Prabin Karki,William C Budell,Rohit Kannachel et al.
Prabin Karki et al.
Phytochromes are dimeric photoreceptors found in bacteria, fungi, and plants that reversibly interconvert between a red-absorbing Pr state and a far-red-absorbing Pfr state. In bacteria, phytochromes (BphPs) regulate diverse responses throu...
Mechanistic insight into low-temperature alkylation of thiophene with styrene over zeolites MCM-22 and β [0.03%]
关于分子筛MCM-22和β上噻吩与苯乙烯低温烷基化的反应机理研究
Xiaopan Li,Sensen Shang,Chenyu Liu et al.
Xiaopan Li et al.
Friedel-Crafts alkylation reactions are generally accepted to proceed by an electrophilic aromatic substitution (SEAr) mechanism. Here, we observed that MCM-22 exhibited a high activity in the alkylation of thiophene with styrene at tempera...