Quantum chemical study on the stability of honeybee queen pheromone against atmospheric factors

doi:10.1007/s00894-016-2993-1

	Quantum chemical study on the stability of honeybee queen pheromone against atmospheric factors
	Shi, Rongwei; Liu, Fanglin
	2016-06-01
发表期刊	JOURNAL OF MOLECULAR MODELING
摘要	The managed honeybee, Apis mellifera, has been experienced a puzzling event, termed as colony collapse disorder (CCD), in which worker bees abruptly disappear from their hives. Potential factors include parasites, pesticides, malnutrition, and environmental stresses. However, so far, no definitive relationship has been established between specific causal factors and CCD events. Here we theoretically test whether atmospheric environment could disturb the chemical communication between the queen and their workers in a colony. A quantum chemistry method has been used to investigate for the stability of the component of A. mellifera queen mandibular pheromone (QMP), (E)-9-keto-2-decenoic acid (9-ODA), against atmospheric water and free radicals. The results show that 9-ODA is less likely to react with water due to the high barrier heights (similar to 36.5 kcal . mol(-1)) and very low reaction rates. However, it can easily react with triplet oxygen and hydroxyl radicals because of low or negative energy barriers. Thus, the atmospheric free radicals may disturb the chemical communication between the queen and their daughters in a colony. Our pilot study provides new insight for the cause of CCD, which has been reported throughout the world.
文章类型	Article
关键词	Apis Mellifera Colony Collapse Disorder Environmental Chemicals Honeybee Queen Pheromone Quantum Chemistry
WOS标题词	Science & Technology ; Life Sciences & Biomedicine ; Physical Sciences ; Technology
DOI	10.1007/s00894-016-2993-1
关键词[WOS]	COLONY COLLAPSE DISORDER ; DECREASES FORAGING SUCCESS ; RADICAL-MOLECULE REACTIONS ; TRANSITION-STATE MODEL ; ACUTE PARALYSIS VIRUS ; BEES APIS-MELLIFERA ; NOSEMA-CERANAE ; HYDROXYL RADICALS ; RATE-CONSTANT ; OH
收录类别	SCI
语种	英语
项目资助者	National Nature Science Foundation of China(31270525) ; National Nature Science Foundation of China(31270525) ; National Nature Science Foundation of China(31270525) ; National Nature Science Foundation of China(31270525) ; China Postdoctoral Science Foundation(2015M571952) ; China Postdoctoral Science Foundation(2015M571952) ; China Postdoctoral Science Foundation(2015M571952) ; China Postdoctoral Science Foundation(2015M571952)
WOS研究方向	Biochemistry & Molecular Biology ; Biophysics ; Chemistry ; Computer Science
WOS类目	Biochemistry & Molecular Biology ; Biophysics ; Chemistry, Multidisciplinary ; Computer Science, Interdisciplinary Applications
WOS记录号	WOS:000377374500022
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/22440
专题	技术生物与农业工程研究所
作者单位	Chinese Acad Sci, Hefei Inst Phys Sci, Inst Tech Biol & Agr Engn, 350 Shushanhu Rd, Hefei 230031, Anhui, Peoples R China
推荐引用方式 GB/T 7714	Shi, Rongwei,Liu, Fanglin. Quantum chemical study on the stability of honeybee queen pheromone against atmospheric factors[J]. JOURNAL OF MOLECULAR MODELING,2016,22(6):1-13.
APA	Shi, Rongwei,&Liu, Fanglin.(2016).Quantum chemical study on the stability of honeybee queen pheromone against atmospheric factors.JOURNAL OF MOLECULAR MODELING,22(6),1-13.
MLA	Shi, Rongwei,et al."Quantum chemical study on the stability of honeybee queen pheromone against atmospheric factors".JOURNAL OF MOLECULAR MODELING 22.6(2016):1-13.

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