Synthesis of environmentally friendly neonicotinoid insecticide with proper functional properties by theoretical methodologies

Synthesis of environmentally friendly neonicotinoid insecticide with proper functional properties by theoretical methodologies

Modern insecticide substitutes using acetylcholine receptors (nAChR) as biochemical targets, such as neonicotinoid insecticides (NNIs), have been extensively researched. Only 12 compounds have been experimentally realized since the initial discovery of imidacloprid. Increasingly, the bottleneck in t...

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Bibliographic Details
Main Authors: Yuanyuan Zhao, Hao Yang, Yanbing Chen, Meijin Du, Wenwen Gu, Wenjin Zhao
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Ecotoxicology and Environmental Safety
Subjects:
Positive and unlabeled machine learning
Neonicotinoid insecticides substitute
Synthesis prediction
Density functional theory
Time-dependent density functional theory
Online Access:http://www.sciencedirect.com/science/article/pii/S0147651323012125

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http://www.sciencedirect.com/science/article/pii/S0147651323012125

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