Modeling of muscone enantiomers olfactory response by an adsorption process onto the mouse muscone receptor MOR215-1
Modeling of muscone enantiomers olfactory response by an adsorption process onto the mouse muscone receptor MOR215-1
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DOI：
10.1016/j.molliq.2016.06.021
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发表时间：
2016-09-01
影响因子：
6
通讯作者：
Ben Lamine, Abdelmottaleb
中科院分区：
文献类型：
--
作者：
Ben Khemis, Ismahene;Mechi, Nesrine;Ben Lamine, Abdelmottaleb
用统计物理方法模拟麝香酮受体MOR 215 -1对麝香酮对映体的嗅觉反应曲线，使我们更好地理解嗅觉现象。我们的目标是在这个模型中选择一个适当的模型，提出了一个显着的相关性与嗅觉反应曲线。巨正则系综在统计热力学中的应用在理论模型中引入了一些物理化学参数，该模型允许获得单个嗅觉响应R-sin的表达式。拟合结果表明，麝香酮对映体（L-麝香酮和D-麝香酮）在有机相中的吸附符合单分子层吸附模型。摩尔吸附能的计算表明，两种麝香酮对映体的物理吸附到细胞表面的神经元。然后，根据合适的模型计算了表征有序和无序的构型熵。(C)2016由Elsevier B. V.出版
The olfactory response curves of muscone enantiomers on the mouse muscone receptor MOR215-1 modeling by a statistical physics treatment led us to better understand the olfactory phenomenon. Our objective in this modeling is to select an adequate model that presents a significant correlation with the olfactory response curves. The application of the grand canonical ensemble in statistical thermodynamics introduces some physico-chemical parameters in the theoretical model which allows to attain an expression of the single olfactory response R-sin. Fitting results showed that the muscone enantiomers (L-muscone and D-muscone) followed an adsorption model with one monolayer onto identical sites. The calculation of the molar adsorption energy showed that the two muscone enantiomers were physisorbed onto cell surface neurons. Then, the configurational entropy which gave an idea about order and disorder, was calculated according to the appropriate model. (C) 2016 Published by Elsevier B.V.