柑橘特殊挥发物质在空气系统中的分布与扩散  

Distribution and diffusion of special volatile substances in air system of citrus

作　　者：王大明 李华英[1] 张刘晟 苟于江 何辉波[1] WANG Daming;LI Huaying;ZHANG Liusheng;GOU Yujiang;HE Huibo(College of Engineering and Technology,Southwest University,Chongqing 400715,China)

机构地区：[1]西南大学工程技术学院,重庆400715

出　　处：《食品与发酵工业》2023年第12期182-186,共5页Food and Fermentation Industries

基　　金：重庆市科教项目(cstc2020jscx-msxmX0192)。

摘　　要：柑橘内部受到病虫害侵染通过表面特征难以检测,但是柑橘内部随着病虫害的侵染会导致其挥发性物质的成分与含量有所变化,对侵染前后新产生或消失的挥发性物质在空气中的分布与扩散进行研究,可以为柑橘内部品质检测提供依据。该文基于分子动力学模拟方法研究了以β-榄香烯、正己醇为代表的新产生的挥发性物质和以α-松油醇为代表消失的挥发性物质在空气系统中的扩散运动。模拟结果表明,空气与正己醇的相互作用能较强,而空气与β-榄香烯和α-松油醇的相互作用能较弱,这使得正己醇、β-榄香烯和α-松油醇在空气中的运动轨迹与速度均出现差异。正己醇、β-榄香烯和α-松油醇在空气中的质心移动距离以及扩散能力与相互作用能均呈正相关性:相互作用能越大,其扩散速度与质心位移越大。该文研究结果对柑橘内部品质检测具有一定参考价值。The internal infestation of citrus caused by pests and diseases is difficult to detect by surface characteristics.However,the composition and content of volatile substances within citrus can change with the infestation of pests and diseases.Studying the distribution and dispersion of newly produced or disappearing volatiles in the air near the infestation can provide a basis for internal quality testing of citrus.This paper studied the diffusion motion of newly generated volatiles represented byβ-elemene and hexanol and vanished volatiles represented byα-terpineol in the air system based on the molecular dynamics simulation method.This paper studied the diffusion movement of newly generated volatile substances and disappeared volatile substances in the air system based on the molecular dynamics simulation method.β-elemene and hexanol represented newly generated volatiles andα-terpineol represented vanished volatiles.The simulation results showed that the interaction energy of air with hexanol was stronger,while the interaction energy of air withβ-elemene andα-terpineol was weaker.The trajectories and velocities of hexanol,β-elemene,andα-terpineol in the air were different.There was a positive correlation between the moving distance of the center of mass of hexanol,β-elemene,andα-terpineol in the air,as well as the diffusivity and interaction energy.The larger the interaction energy,the larger the diffusion velocity and displacement of the center of mass.This study provides a reference value for internal quality testing of citrus.

关 键 词：挥发性物质 柑橘 扩散 分子动力学模拟 检测 

分 类 号：TS255.7[轻工技术与工程—农产品加工及贮藏工程]