Unravelling the Mechanism and Selectivity of the NHC‐catalyzed Three‐Membered Ring‐Opening/Fluorination of Epoxy Enals: A DFT Study
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DOI: 10.1002/cctc.201900424
Abstract: Regio‐ and stereo‐divergent construction of carbon‐fluorine bond remains a challenge in fluorine chemistry, especially reactions involving fluorination at the α‐position of a carbonyl group. Herein, we present a detailed study for predicting the origins of… read more here.
Keywords: mechanism selectivity; epoxy enals; study; fluorination ... See more keywords
The crystal structure of Ac-AChBP in complex with α-conotoxin LvIA reveals the mechanism of its selectivity towards different nAChR subtypes
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DOI: 10.1007/s13238-017-0426-2
Abstract: The α3* nAChRs, which are considered to be promising drug targets for problems such as pain, addiction, cardiovascular function, cognitive disorders etc., are found throughout the central and peripheral nervous system. The α-conotoxin (α-CTx) LvIA… read more here.
Keywords: mechanism selectivity; lvia; nachr subtypes; structure ... See more keywords
Mechanism and selectivity of photocatalyzed CO2 reduction by a function-integrated Ru catalyst.
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DOI: 10.1039/d1dt03825g
Abstract: The phosphine-substituted Ru(II) polypyridyl complex, [RuII-(tpy)(pqn)(MeCN)]2+ (RuP), was disclosed to be an efficient photocatalyst for the reduction of CO2 to CO with excellent selectivity. In this work, density functional calculations were performed to elucidate the… read more here.
Keywords: catalyst; selectivity photocatalyzed; mechanism selectivity; reduction ... See more keywords