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J Mol Model

Title:		Quantum chemical study on the stability of honeybee queen pheromone against atmospheric factors
Author(s):		Shi R; Liu F;
Address:		"Institute of Technical Biology & Agriculture Engineering, Hefei Institutes of Physical Science, Chinese Academy of Sciences, 350 Shushanhu Rd., Hefei, 230031, Anhui, China. rwshi@itb.ac.cn. Institute of Technical Biology & Agriculture Engineering, Hefei Institutes of Physical Science, Chinese Academy of Sciences, 350 Shushanhu Rd., Hefei, 230031, Anhui, China"
Journal Title:		J Mol Model
Year:		2016
Volume:		20160520
Issue:		6
Page Number:		140 -
DOI:		10.1007/s00894-016-2993-1
ISSN/ISBN:		0948-5023 (Electronic) 0948-5023 (Linking)
Abstract:		"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 (~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"
Keywords:		"Animals Atmosphere/*chemistry Bees/*chemistry/metabolism Colony Collapse Fatty Acids, Monounsaturated/chemistry/metabolism Female Free Radicals/chemistry/metabolism Insect Hormones/*chemistry/metabolism Models, Molecular Molecular Conformation Molecular S;"
Notes:		"MedlineShi, Rongwei Liu, Fanglin eng Research Support, Non-U.S. Gov't Germany 2016/05/22 J Mol Model. 2016 Jun; 22(6):140. doi: 10.1007/s00894-016-2993-1. Epub 2016 May 20"