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Terpenoid mosquito repellents: A combined DFT and QSAR study |
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| Authors: | Jie Song Zongde Wang Alexander Findlater Zhaojiu Han Zhikuan Jiang Jinzhu Chen Weiqing Zheng Sarah Hyde |
| Affiliation: | 1. Department of Chemistry, University of Michigan-Flint, 303E Kearsley, Flint, MI 48502, United States;2. College of Forestry, Jiangxi Agricultural University, Nanchang 330045, China;3. East China Medical Biotechnology Research Institute, Nanjing 210002, China;4. Department of Chemistry, Wellesley College, Wellesley, MA 02481, United States |
| Abstract: | Interactions between low-toxicity terpenoid mosquito repellents and lactic acid are studied at the HF and B3LYP level. The subsequent QSAR study shows that not only the structure of repellents but also the repellent–lactic acid complexes may play an important role. It suggests that further study on interactions between repellents and characteristic compounds from human host may be required in order to understand the repelling mechanism. |
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