Source of Rate Acceleration for Carbocation Cyclization in Biomimetic Supramolecular Cages

Autor:	Quynh Nhu N. Nguyen, Kay T. Xia, Yue Zhang, Nanhao Chen, Mariko Morimoto, Xiaokun Pei, Yang Ha, Jinghua Guo, Wanli Yang, Lee-Ping Wang, Robert G. Bergman, Kenneth N. Raymond, F. Dean Toste, Dean J. Tantillo
Rok vydání:	2022
Předmět:	Colloid and Surface Chemistry Biomimetics Cyclization Acceleration Molecular Conformation General Chemistry Molecular Dynamics Simulation Biochemistry Catalysis
Zdroj:	Journal of the American Chemical Society. 144:11413-11424
ISSN:	1520-5126 0002-7863
DOI:	10.1021/jacs.2c04179
Popis:	The results of quantum chemical and molecular dynamics calculations reveal that polyanionic gallium-based cages accelerate cyclization reactions of pentadienyl alcohols as a result of substrate cage interactions, preferential binding of reactive conformations of substrate/H
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dd4bf0b8bac3831565f0d479da13e984 https://doi.org/10.1021/jacs.2c04179 Zobrazit plný text záznamu