Results 71 to 80 of about 71,659 (279)
Stereochemistry of the Wittig reaction
, 2007 A review, with 91 refs., of stereoselectivity in reactions of stable and reactive ylids, and the application of stereoselective carbonyl olefinations. [on SciFinder (R)]LSCOCAN 74:3127622Physical Organic ChemistryOrg.-Chem. Inst.,Univ.
Manfred Schlosser, Schlosser, Manfred
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MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design
Advanced Intelligent Discovery, EarlyView.MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa +2 more
wiley +1 more source
Heavy‐Atom Tunneling at Room Temperature Revealed by Instanton Theory
Angewandte Chemie, EarlyView.Usually, tunneling does not play a significant role in chemical reactions except at low temperature, especially when heavy atoms are involved. However, using nonadiabatic instanton theory we find that heavy‐atom tunneling dominates the reaction mechanism for spin‐forbidden processes in the synthesis of strained organic molecules even at room ...
Debaarjun Mukherjee +2 more
wiley +2 more sources
Advanced Intelligent Discovery, EarlyView.We present CatTransVAE, a catalyst‐specialized chemical language model (CLM) built on a transformer variational autoencoder (VAE), developed through pretraining on general compounds followed by fine‐tuning on diverse catalyst databases. A template‐guided generation framework is introduced to enable controlled catalyst design under structural ...
Apakorn Kengkanna, Masahito Ohue
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
Generalizable Strategies for the Synthesis of Cereblon‐Recruiting PROTAC Prodrugs
Angewandte Chemie, EarlyView.Cereblon‐recruiting PROTACs remain challenging to derivatize for prodrug‐based delivery. In this study, three complementary conjugation strategies enabled the efficient synthesis of cleavable PROTAC prodrugs with tunable release kinetics that can be incorporated into a library of PEGylated constructs and bottlebrush prodrugs.
Aiden X. Wang +7 more
wiley +2 more sources
Evidence for a Cu(II)‐Catalysed CuAAC Reaction: A Combined Experimental and Computational Study
Angewandte Chemie, EarlyView.A new mechanistic pathway for the CuAAC reaction has been found to operate under specific reaction conditions. The pathway is catalysed by Cu(II) through a self‐assembled dinuclear Cu(II) complex that incorporates the triazole product. Computational analysis and assessment of generality are reported.
Matthew J. Andrews +12 more
wiley +2 more sources
Contribution of the Chemistry Institutes to the Early Development of Stereochemistry
CHIMIA, 2009 This article is a translation from German of a paper submitted by Kurt Hermann to the University of Zurich Prize committee in 1968, with additional editing by Jay Siegel.
Kurt Hermann
doaj +1 more source
, 2015 Chirality and stereogenicity are closely related concepts and their differentiation and description is still a challenge in chemoinformatics. A new stereoisogram approach, developed by the author, is introduced in this book, providing a theoretical ...
Fujita, Shinsaku
core
Angewandte Chemie, EarlyView.Modifying the conformational ensemble of “molten‐globule” protein by the site‐specific incorporation of stereoisomeric 4‐fluoroproline residues modulated its binding affinity and aggregation behavior. 19F NMR spectroscopy enabled the detection of key interactions responsible for structural and dynamic changes. ABSTRACT Recently, the application of deep
Abir Ben Bouzayene +5 more
wiley +2 more sources