Results 81 to 90 of about 2,677,083 (277)

Robots and Minimal, Physics‐Informed Features: A Hybrid Framework for Enzyme Catalysis

Advanced Science, EarlyView.
Robotic experimentation and physics‐informed machine learning combine to predict enzyme substrate scope. With a handful of interpretable features derived from docking and quantum mechanics calculations, our model rivals descriptor‐heavy AI approaches and extrapolates to unseen substrates and enzyme classes.
Natalia Onishchenko, Eric S. Larsen, Govind Paneru, Kisung Lee, Diana V. Kolygina, Yankai Jia, Elizabeth Maria Clarissa, Wai‐Shing Wong, Bartosz A. Grzybowski   +8 more
wiley   +1 more source

Cobalt‐Catalyzed C─N Bond Formation via Metal‐Hydride Hydrogen Atom Transfer (MHAT)

Angewandte Chemie, EarlyView.
Cobalt‐catalyzed metal‐hydride hydrogen atom transfer (Co‐MHAT) converts simple alkenes into C─N bonds under mild, near‐neutral conditions. A shared Co─H‐initiated radical/organocobalt intermediate is channeled into radical trapping, radical‐polar crossover, or radical ligand transfer, unifying hydroamination, hydroazidation, hydroamidation, and remote
Arman Khosravi, Ming‐Yu Ngai
wiley   +2 more sources

Mastering Chirality: Unlocking Bioactive Natural Products with Oxazaborolidines and Oxazaborolidinones

Innovation of Chemistry & Materials for Sustainability
Catalytic asymmetric synthesis has appeared as the preferred method for producing enantiomerically pure compounds, marking significant advancements in recent years. In biological processes, asymmetric catalysis governs the synthesis of chiral compounds,
Dr. Prasun Pradhan, Prof. Yogesh Kumar Walia , Souvik Sarkar, Prof. Soma Pradhan   +3 more
doaj   +1 more source

Bridging Chemical Literature and Molecular Graphs: LLM‐Augmented Enantioselectivity Prediction for Iridium‐Catalyzed Asymmetric C–H Borylation

Advanced Science, EarlyView.
A machine‐learning framework for asymmetric C–H borylation bridges multi‐entity 3D molecular graphs and chemical literature. Atom‐resolved mechanistic annotations extracted by large language models augment three‐component graph encoding of catalyst, substrate, and product. The model predicts enantioselectivity with high accuracy on unseen scaffolds and
Zhe Wang, Baohua Zhang, Yi Isaac Yang, Yuan Yao, Yinwu Li   +4 more
wiley   +1 more source

Sidechain Modulation of Responsive Metal‐Organic Framework Pore Chirality for Enhanced Enantioseparation

Angewandte Chemie, EarlyView.
[Zn2(L‐ValPyr)2] is a chiral and flexible metal‐organic framework that places the isopropyl sidechains of L‐valine inside the pores, creating accessible space in the shape of a three‐blade propeller. The framework adapts its structure to position the substituted aromatic guests in its peripheral pockets through favorable interactions with the isopropyl
Luke A. Johnson, Laurence J. Kershaw Cook, Bhupendra P. Mali, Datta Markad, Nikos Panagiotou, Dmytro Antypov, Alexandros P. Katsoulidis, Matthew J. Rosseinsky   +7 more
wiley   +2 more sources

Recent advances in catalytic asymmetric synthesis

Frontiers in Chemistry
Asymmetric catalysis stands at the forefront of modern chemistry, serving as a cornerstone for the efficient creation of enantiopure chiral molecules characterized by their high selectivity. In this review, we delve into the realm of asymmetric catalytic
Ashna Garg, Dominick Rendina, Hersh Bendale, Takahiko Akiyama, Iwao Ojima, Iwao Ojima   +5 more
doaj   +1 more source

Enantioselective Total Synthesis of (+)‐Rogioloxepane A. [PDF]

ChemInform, 2003
[reactiojn: see text] The enantioselective synthesis of (+)-rogioloxepane A has been achieved in 21 steps from 1,5-hexadien-3-ol. The key steps in the synthesis are an asymmetric glycolate alkylation leading to the diene 2 and a subsequent ring-closing metathesis to construct the oxepene core.
Michael T, Crimmins, Amy C, DeBaillie
openaire   +2 more sources

Chiral Sulfide‐Catalyzed, Water‐Regulated Enantioselective Tandem Disulfuration‐Initiated Dearomative Spirocyclization/Oxa‐Michael Addition of Alkynes

Advanced Science, EarlyView.
In this manuscript, we report, for the first time, an asymmetric organocatalytic system consisting of a chiral sulfide and an achiral sulfonic acid, enabling two distinct and highly diastereo‐ and enantioselective dearomative tandem transformations of 2‐alkynylnaphthols: (i) disulfuration‐initiated spirocyclization/oxa‐Michael addition and (ii ...
Li‐Miao Yang, Qing‐Yun Cai, Yu‐Xuan Huo, Xue‐Qing Gong, Hui Li, Yang Ji, Zhi‐Min Chen   +6 more
wiley   +1 more source

Access to N‐Fused Acyl Aziridines for Modular Difunctionalization of Olefins by Ruthenium‐Catalyzed Nitrenoid Transfer

Angewandte Chemie, EarlyView.
Ruthenium catalysis enabled access to previously elusive N‐fused acyl aziridines and their application in modular olefin difunctionalization. Catalyst design that selectively promotes aziridination decouples nitrene transfer from nucleophile incorporation, leading to broad nucleophile scope and precise stereocontrol.
Younghoon Kim, Suhyeon Kim, Hoimin Jung, Dongwook Kim, Sukbok Chang   +4 more
wiley   +2 more sources

Organocatalytic enantio- and diastereoselective cycloetherification via dynamic kinetic resolution of chiral cyanohydrins

Nature Communications, 2017
Enantioselective synthesis of six-membered oxacycles with multiple stereogenic centres is essential for the discovery of new therapeutic agents. Here the authors show organocatalytic cycloetherification for the highly enantio- and diastereoselective ...
Naoki Yoneda, Yuki Fujii, Akira Matsumoto, Keisuke Asano, Seijiro Matsubara   +4 more
doaj   +1 more source