Results 81 to 90 of about 23,008 (222)

Differential Water Networks Guide Selectivity Optimization of a Cell Active BPTF Inhibitor in Neuroblastoma

Angewandte Chemie, EarlyView.
BZ2 is a second‐generation Bromodomain PHD finger Transcription Factor (BPTF) inhibitor with improved selectivity over Class I and Class IV BRD off‐targets identified in our previously reported inhibitor, BZ1. Structural analyses reveal that water network engagement is key to this selectivity.
Kesavan Babu, Chun‐Ju Tsou, Sourav Das, Liying Fan, Anasuya Pal, Molly Sneddon, Timothy R. Stachowski, Priyanka Samanta, Stanley Nithianantham, Caroline Buchholz, Shi Zhang, Xiang Fu, Rahul S. Kathayat, Wenwei Lin, Yongtao Li, Lei Yang, Taosheng Chen, Marcus Fischer, Anang A. Shelat, William C. K. Pomerantz   +19 more
wiley   +2 more sources

One‐Pot Biphasic Photocatalytic CO2‐to‐Carbonylation Cascades

Angewandte Chemie, EarlyView.
Bioinspired biphasic compartmentalization enables one‐pot cascades where photocatalytic CO2 reduction generates CO for carbonylative cross‐couplings to synthesize complex organic products, including a pharmaceutical. ABSTRACT Photosynthesis compartmentalizes reactions across the thylakoid membrane in vivo to upcycle CO2 into complex chemicals that are ...
Sampurna Mitra, David M. Vahey, Shannon A. Bonke, Erwin Reisner   +3 more
wiley   +2 more sources

Synergistic Silylium‐Ion and Palladium Catalysis Enables Migratory Alkene Silylation With Allylsilanes by Formal C–H/C–Si Metathesis

Angewandte Chemie, EarlyView.
Merging silylium‐ion and palladium catalysis provides a mechanistically distinct route to allylsilanes by formal C–H/Si–H metathesis. Using allylsilanes as silicon proelectrophiles, various allylarenes undergo migrative silylation, selectively yielding (E)‐allylsilanes.
Longhui Duan, Zheng‐Wang Qu, Stefan Grimme, Elisabeth Irran, Hendrik F. T. Klare, Martin Oestreich   +5 more
wiley   +2 more sources

Molecular Recognition by Halogen Bonding With Atomic Precision in a Covalent Organic Cage

Angewandte Chemie, EarlyView.
A covalent organic cage embedding a single inward‐facing halogen‐bond (XB) donor enables recognition of DMMP, a Sarin surrogate, with atomic precision through halogen bonding, while both the hydrogen bonding donor encaged analogue and the XB donor open model ‐lacking cavity‐ show no affinity.
Pierre‐Antoine Dupin, Jian Yang, Elise Antonetti, Bastien Chatelet, Xavier Bugaut, Jean‐Pierre Dutasta, Paola Nava, Anne‐Doriane Manick, David Bardelang, Alexandre Martinez   +9 more
wiley   +2 more sources

Exploring the Orthogonal Chemoselectivity of 2,4,6-Trichloro-1,3,5-Triazine (TCT) as a Trifunctional Linker With Different Nucleophiles: Rules of the Game

Frontiers in Chemistry, 2018
The study involves exploring the three orthogonal sites for aromatic nucleophilic substitution in cyanuric chloride (TCT). The preferential order of incorporation of different nucleophiles (such as alcohol, thiol, and amine) was addressed both ...
Anamika Sharma, Anamika Sharma, Ayman El-Faham, Ayman El-Faham, Beatriz G. de la Torre, Fernando Albericio, Fernando Albericio, Fernando Albericio, Fernando Albericio   +8 more
doaj   +1 more source

Molecular Engineering of a Mixed‐Spacer System Toward High‐Performance Polycarbazole Anion‐Exchange Membranes

Angewandte Chemie, EarlyView.
Mixed‐spacer polycarbazole membranes balance conductivity, swelling, and stability by tuning hydration and ionic connectivity. The optimized membrane reaches 184 mS cm−1 hydroxide conductivity and 2.51 W cm−2 peak power density, offering a promising strategy for high‐performance ether‐free AEMs.
Hao Liu, Yingdan Cui, Chanikya D. Jayawardana, Mohammed Al Murisi, Hai Zhao, Md Waliullah Hossain, Zhitao Hu, Cem Arkun, Iftikhar Ahmad, Qi Wang, Sophya Garashchuk, William Mustain, Chuanbing Tang   +12 more
wiley   +2 more sources

Chemical Switching Between B2N and B2C Homoaromaticity

Angewandte Chemie, EarlyView.
We report the synthesis of homoaromatic 1‐aza‐2,4‐diazadiboretane with a bicyclic four‐membered NB2C motif and demonstrate experimentally and theoretically that the homoaromatic delocalization can also be chemically shifted from the B2N to the B2C moiety by deprotonation of the ring carbon atom.
Tim Wiesmeier, Philipp Grewelinger, Carsten Präsang, Bernd Morgenstern, Diego M. Andrada, David Scheschkewitz   +5 more
wiley   +2 more sources

High‐Tg Polythioesters From Isomerization Ring‐Opening Polymerization of a Renewable Oxanorbornane‐Fused Thionolactone

Angewandte Chemie, EarlyView.
A biobased tricyclic thionolactone undergoes selective isomerization ring‐opening polymerization to yield a high‐molecular‐weight polythioester with an exceptionally high Tg of 171°C, exceeding that of the analogous polyester. The polythioester efficiently depolymerizes through backbiting, while its hydrolysis and methanolysis reveal the critical ...
Eva Harsevoort, Henk‐Jan Akkerman, Martin Lutz, Arnaud Thevenon, Pieter C. A. Bruijnincx   +4 more
wiley   +2 more sources

Utilizing the σ-complex stability for quantifying reactivity in nucleophilic substitution of aromatic fluorides

Beilstein Journal of Organic Chemistry, 2013
A computational approach using density functional theory to compute the energies of the possible σ-complex reaction intermediates, the “σ-complex approach”, has been shown to be very useful in predicting regioselectivity, in electrophilic as well as ...
Magnus Liljenberg, Tore Brinck, Tobias Rein, Mats Svensson   +3 more
doaj   +1 more source

Radical, Not Ionic: The Mechanochemical Zincke Nitration of Phenols

Angewandte Chemie, EarlyView.
Mechanochemistry recasts the classical Zincke nitration as an open‐shell process. Liquid‐assisted vibrational milling of phenols with in situ HNO2 delivers direct and ipso nitration across 50 substrates, while atmosphere, NOx‐transfer, EPR and DFT evidence expose a phenoxyl‐radical/NO2 manifold underlying this historically ionic transformation ...
Roberto Scipione, Francesco Basoccu, Pietro Caboni, Francesca Sardu, Enrico Podda, Marco Lucarini, Massimiliano Arca, Andrea Porcheddu   +7 more
wiley   +2 more sources