Results 111 to 120 of about 11,259 (216)

Automatic Determination of Quasicrystalline Patterns from Microscopy Images

Advanced Intelligent Discovery, EarlyView.
This work introduces a user‐friendly machine learning tool to automatically extract and visualize quasicrystalline tiling patterns from atomically resolved microscopy images. It uses feature clustering, nearest‐neighbor analysis, and support vector machines. The method is broadly applicable to various quasicrystalline systems and is released as part of
Tano Kim Kender, Marco Corrias, Cesare Franchini   +2 more
wiley   +1 more source

Catalytic Functionalization of Unactivated π‐Bonds Enabled by Bidentate Directing Auxiliaries

Angewandte Chemie, EarlyView.
This review explores how bidentate directing auxiliaries have advanced transition‐metal catalysis for unactivated alkene/alkyne functionalization. By leveraging chelated intermediates, bidentate directing auxiliaries enable precise hydrofunctionalization, difunctionalization, and C─H activation of π‐bonds with unique selectivity and reactivity.
Seunghyeon Cho, Al Vicente Riano D. Lisboa, Juntao Sun, Taeho Kang, Keary M. Engle   +4 more
wiley   +2 more sources

Pd/C‐Catalyzed Hydrogenation of CF3‐, CF2H‐, and CF2CO2Et‐containing Pyridines: A Robust Method for Highly Functionalized containing Piperidines

Angewandte Chemie, EarlyView.
A robust and efficient method to access diversely functionalized fluorinated piperidines was developed. The approach features the hydrogenation of polysubstituted pyridines bearing CF3, CF2H, and CF2CO2Et substituents using an inexpensive, readily available heterogeneous Pd/C catalyst under air‐ and moisture‐tolerant conditions, offering an appealing ...
Thibaud Charvillat, Patrick Bernardelli, Marc Daumas, Xavier Pannecoucke, Vincent Ferey, Hassan Oulyadi, Muriel Sebban, Tatiana Besset   +7 more
wiley   +2 more sources

Supramolecular Modulation of Photoinduced Charge Transfer: Tuning Between Tunneling and Incoherent Hopping

Angewandte Chemie, EarlyView.
Molecular recognition guest binding can comprehensively modulate photoinduced charge‐transfer dynamics in the cyclophane host, including charge separation and recombination, via coherent superexchange and incoherent hopping. Unlike covalent donor–bridge–acceptor systems, this supramolecular approach avoids tedious syntheses and offers precise tuning of
Xueze Zhao, Guangcheng Wu, Chun Tang, Georgia C. Mantel, Bai‐Tong Liu, Yi‐Kang Xing, Han Han, Shuai Fang, Charlotte L. Stern, J. Fraser Stoddart, Michael R. Wasielewski, Ryan M. Young   +11 more
wiley   +2 more sources

CSAKD: Determining Absolute Ligand Affinities From 19F NMR Chemical Shift Anisotropy

Angewandte Chemie, EarlyView.
Affinity determination is crucial in drug discovery, yet remains difficult for weakly binding fragments. We introduce chemical shift anisotropy KD$K_{\text{D}}$ (CSAKD) by 19F$^{19}{\rm F}$ NMR relaxation experiments, a titration‐free method that requires no isotopic labeling.
Simon H. Rüdisser, Gabriela Stadler, Alvar D. Gossert   +2 more
wiley   +2 more sources

Single-cell structural biology with intracellular electron crystallography

Nature Communications
Intracellular crystallization is an emerging approach in structural biology that bypasses the need for protein purification. In 2024, the InCellCryst pipeline was introduced for structural studies of intracellular crystals by serial X-ray crystallography.
Štěpánka Bílá, Dominik Pinkas, Krishna Khakurel, Juliane Boger, Tomáš Bílý, Janos Hajdu, Zdeněk Franta, Iñaki de Diego Martinez, Roman Tuma, Lars Redecke, Vitaly Polovinkin   +10 more
doaj   +1 more source

Reductive Activation of White Phosphorus to [P4]2–, [P2]2–, and a Formal P2– Radical by Rare‐Earth Dinitrogen Complexes

Angewandte Chemie, EarlyView.
Masked divalent yttrium and gadolinium dinitrogen complexes mediate the fragmentation of white phosphorus, converting P4 into discrete dimetallic complexes of [P4]2– and [P2]2– ligands, and an unprecedented monatomic P2– radical ligand. Structural, spectroscopic, magnetic, and DFT studies reveal insight into the bonding between these unusual Pn units ...
Arpan Mondal, Richard A. Layfield
wiley   +2 more sources

1,7‐Digallatetracarborane: Between Nucleophilic closo‐Cluster and “Inverse Sandwich” Digallylene

Angewandte Chemie, EarlyView.
A dianionic π‐ligand is used to make a Janus‐type twofold complex with low‐valent gallium Ga(+I). The resulting compound can be seen as and reveals the reactivity of both: a Wade‐type closo‐carborane cluster with nucleophilic Ga‐sites, as well as π‐ligand stabilized Ga(I) atoms in an inverse sandwich compound.
Julijan Sarcevic, Tobias Heitkemper, Niklas Mehner, Maximilian Kubis, Christian P. Sindlinger   +4 more
wiley   +2 more sources

Coordination‐Driven Direct C─H Metalation of N‐Heterocycles With a Superbasic Co(II) Amide Co(TMP)2

Angewandte Chemie, EarlyView.
By enabling regioselectivities that are inaccessible with conventional bases, this study introduces a Co(II) amide platform for the deprotonative C─H metalation of sensitive N‐heterocycles. Subsequent interception of the resulting Co(II) intermediates with external oxidants affords a family of sterically congested, TMP‐substituted heterocycles via C─N ...
Na Jin, Manting Mu, Max García‐Melchor, Eva Hevia   +3 more
wiley   +2 more sources

Enhancing Enzyme Activity With Mutation Combinations Guided by Few‐Shot Learning and Causal Inference

Angewandte Chemie, EarlyView.
We present an integrated workflow that predicts activity‐enhancing mutation combinations from minimal experimental data. By proposing in vivo unit yield (yield/expression) as a surrogate for kcat/Km through causal inference, and visualizing local activity landscape, it effectively guides product yield improvement. ABSTRACT Designing enzyme sequences to
Lin Guo, Xiaoguang Yan, Yali Lu, Shengxin Nie, Mingyue Ge, Yukun Li, Weiguo Li, Xiaochun Zhang, Dongmei Liang, Yihan Zhao, Hongxiao Tan, Xiling Chen, Shilong Fan, Yefeng Tang, Jianjun Qiao, Boxue Tian   +15 more
wiley   +2 more sources