title: Molecular interactions between terpenoid mosquito repellents and human-secreted attractants.
abstract: Molecular interactions between terpenoid mosquito repellents and three typical human-secreted attractants, ammonia, 1-octen-3-ol, and formic acid were studied. Relative energies, bond distances, and bond angles of the molecular interactions were obtained at HF level to evaluate the interaction intensity and types. The effects of molecular interactions on repellency were investigated by the subsequent quantitative structure-activity relationship (QSAR) study. The results of this study suggest that attractant-repellent interaction should not be ignored and could be helpful for future research on the repelling mechanism of mosquito repellents.
authors.affiliation: College of Forestry, Jiangxi Agricultural University, Nanchang 330045, Jiangxi, China.
authors.forename: Shengliang
authors.initials: S
authors.lastname: Liao
authors.affiliation: Department of Chemistry and Biochemistry, University of Michigan-Flint, 303E Kearsley Street, Flint, MI 48502, USA. Electronic address: jiesong@umich.edu.
authors.forename: Jie
authors.initials: J
authors.lastname: Song
authors.affiliation: College of Forestry, Jiangxi Agricultural University, Nanchang 330045, Jiangxi, China. Electronic address: zongdewang@163.com.
authors.forename: Zongde
authors.initials: Z
authors.lastname: Wang
authors.affiliation: College of Forestry, Jiangxi Agricultural University, Nanchang 330045, Jiangxi, China.
authors.forename: Jinzhu
authors.initials: J
authors.lastname: Chen
authors.affiliation: College of Forestry, Jiangxi Agricultural University, Nanchang 330045, Jiangxi, China.
authors.forename: Guorong
authors.initials: G
authors.lastname: Fan
authors.affiliation: Institute of Chemical Industry of Forest Products, Chinese Academy of Forestry, Nanjing 210042, Jiangsu, China.
authors.forename: Zhanqian
authors.initials: Z
authors.lastname: Song
authors.affiliation: Institute of Chemical Industry of Forest Products, Chinese Academy of Forestry, Nanjing 210042, Jiangsu, China.
authors.forename: Shibin
authors.initials: S
authors.lastname: Shang
authors.affiliation: College of Forestry, Jiangxi Agricultural University, Nanchang 330045, Jiangxi, China.
authors.forename: Shangxing
authors.initials: S
authors.lastname: Chen
authors.affiliation: College of Forestry, Jiangxi Agricultural University, Nanchang 330045, Jiangxi, China.
authors.forename: Peng
authors.initials: P
authors.lastname: Wang
mesh_terms: D000641:Ammonia / Q000737:chemistry*; D000818:Animals; D056831:Coordination Complexes / Q000737:chemistry; D005561:Formates / Q000737:chemistry*; D006801:Humans; D007302:Insect Repellents / Q000737:chemistry*; D015394:Molecular Structure; D009032:Mosquito Control; D000442:Octanols / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship; D013729:Terpenes / Q000737:chemistry*
chemical_list: D056831:Coordination Complexes; D005561:Formates; D007302:Insect Repellents; D000442:Octanols; D013729:Terpenes; C030544:formic acid; D000641:Ammonia; C038844:1-octen-3-ol
keywords: Human-secreted attractant; Molecular interaction; Mosquito repellent; Repellency; Terpenoid