Results 91 to 100 of about 148,723 (205)

When are Two‐Dimensional Covalent Organic Frameworks Good Electrodes for Lithium Ion Batteries? A Data‐Driven Analysis

Advanced Science, EarlyView.
A data‐driven framework integrating density‐functional theory with machine learning models screens two‐dimensional covalent organic frameworks (2D COFs) from CoRE COF database to reveal atomic‐level design rules: N/O‐rich coordination pockets drive cathode behavior, while separated redox sites and π‐rich galleries enable anode function in Li‐ion ...
Preeti Bhauriyal, Shubhajit Das, Thomas Heine   +2 more
wiley   +1 more source

Enhancing Reaction Kinetics and Structural Control in N‐Carboxyanhydride (NCA) Polypeptide Synthesis by Structurally Tuned Azamacrocyclic Ligands

Angewandte Chemie, EarlyView.
Azamacrocycles provide a tunable platform for rapid N‐carboxyanhydride (NCA) Ring‐Opening Polymerization (ROP). Changing the methylation pattern switches the macrocycle from an external catalyst (N14Me3) to a covalent initiator‐catalyst (IniCat, N14Me1), delivering controlled polypeptide growth under open‐vessel conditions.
Paulina Maksym, Adam Gorczynski, Robert D. Murphy, Gianluca Bartolini Torres, Roksana Wygoda, Karol Garbaczewski, Giuseppe Forte, Giuseppe Consiglio, Yixuan Chen, Sébastien Perrier, Andreas Heise   +10 more
wiley   +2 more sources

Deciphering Intricacies in Directional CO2 Conversion From Electrolysis to CO2 Batteries

Advanced Energy Materials, EarlyView.
This review will delve into the inherent connections and distinctions of CO2‐directed conversion in ECO2RR and CO2 batteries, in terms of product types, catalyst selection, catalytic mechanisms, and electrochemical performances, while proposing a benchmarking framework for the evaluation of CO2 batteries and innovative CO2 battery configurations for ...
Changfan Xu, Huaping Zhao, Lizhuang Chen, Weidong Shi, Guosheng Shao, Yong Lei   +5 more
wiley   +1 more source

Palladium‐Catalyzed Cross‐Coupling of Transiently Stable Heterocyclic Organolithiums

Angewandte Chemie, EarlyView.
Fast coupling outcompetes organolithium decomposition. Catalyst benchmarking enables transient pyridyl, quinolyl, indazolyl, and related organolithiums to participate in the Murahashi coupling, while continuous‐flow generation extends the approach to reagents too unstable for conventional batch handling.
Piyas Saha, Francisco José Aguilar Troyano, Soumitra Ghosh, Stephen G. Newman   +3 more
wiley   +2 more sources

Generative and Experimental Validation of High Refractive Index Polymers via Domain Knowledge Approach with Small Data

Advanced Intelligent Discovery, EarlyView.
This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo, Seigo Watanabe, Hana Matsunaga, Kenichi Oyaizu   +3 more
wiley   +1 more source

Aromatic Pummerer‐Promoted Stereospecific Cross‐Coupling of Thiazoles With Boronic Esters

Angewandte Chemie, EarlyView.
A lithiation–borylation–aromatic Pummerer (LiBAP) strategy enables stereospecific, C5‐selective C(sp2)–C(sp3) cross‐coupling of thiazoles with boronic esters. By using exocyclic sulfoxide activation to overcome the low nucleophilicity that frustrates SEAr‐type coupling, the method delivers enantioenriched alkylated thiazoles bearing a versatile C2 ...
Mark John P. Mandigma, Julien Lefranc, Louise Eagling, Jasper L. Tyler, Varinder K. Aggarwal   +4 more
wiley   +2 more sources

1‐Azabicyclo[1.1.0]butanes (ABBs) on the Map: Mechanistic Pathways for Catalytic Ring Opening and Functionalizations

Angewandte Chemie, EarlyView.
Catalytic strain‐release ring opening and functionalizations of 1‐azabicyclo[1.1.0]butanes (ABBs) represent a promising strategy for accessing diverse azetidine products. These transformations proceed via polar pathways, radical pathways, and hybrid mechanisms that combine both.
James Shao‐Jiun Yang, Hsuan‐Hung Liao   +1 more
wiley   +2 more sources

Active Metal Template Synthesis of Rotaxanes From BINOL‐Phosphate Macrocycles

Angewandte Chemie, EarlyView.
The use of macrocyclic BINOL‐phosphates allows for the active metal template synthesis of [2]rotaxanes via Cu(I)‐mediated alkyne‐azide cycloaddition. DFT calculations, control experiments, and kinetic experiments support a dinuclear phosphate‐Cu2 intermediate.
Nikolai Brodt, Sophia Stadtfeld, Somayyeh Kheirjou, Tibor Schumski, Adrian M. Bialowons, Dennis Jansen, Felix Niemeyer, Torsten Schaller, Gebhard Haberhauer, Jan Riebe, Jochen Niemeyer   +10 more
wiley   +2 more sources

Tunable Raman Scattering of Fe(II) Coordination Networks With Magnetic Fields

Angewandte Chemie, EarlyView.
Four heavy Hg(II) coordination networks with paramagnetic Fe(II) sites reveal strong and halogen‐tunable low‐frequency (LF) sub‐terahertz phonons and field‐dependent magnetic transitions. LF phonon spectroscopy and Raman magnetospectroscopy are powerful probes of structure, low‐energy vibration, zero‐field splitting, and spin–phonon coupling supported ...
Guanping Li, Olaf Stefanczyk, Joseph M. Flitcroft, Jonathan M. Skelton, William T. Morrillo, Meagan Oakley, Lulu Xiong, Koji Nakabayashi, Dmitry Smirnov, Komalavalli Thirunavukkuarasu, Mykhaylo Ozerov, Shin‐ichi Ohkoshi, Nicholas F. Chilton   +12 more
wiley   +2 more sources

Breakthrough Design of Highly Potent Antivirals Against Wild‐Type HIV‐1 and Lenacapavir‐Resistant M66I Variant

Angewandte Chemie, EarlyView.
Lenacapavir, the first‐in‐class drug targeting HIV‐1 capsid, is a breakthrough drug in HIV‐1 treatment and prophylaxis. However, a single M66I mutation confers complete viral resistance to lenacapavir. We report herein the design and synthesis of innovative R2 analogs demonstrating low nM potency against HIV‐1 M66I and excellent pharmacokinetics in ...
Nicolas Jamey, D. M. Nirosh Udayanga, Huanchun Zhang, Roshan Katekar, Wei Xie, Shreya M. Ravichandran, Xinyong Cai, Zachary C. Lorson, William M. McFadden, Won Hee Ryu, Jiashu Xie, Karen A. Kirby, Stefan G. Sarafianos, Zhengqiang Wang   +13 more
wiley   +2 more sources