论文标题

佐剂增强活性成分叶片的数学建模

Mathematical modelling of adjuvant-enhanced active ingredient leaf uptake of pesticides

论文作者

Reyes, J. Delos, Shardlow, T., Delgado-Charro, M. B., Webb, S., White, K. A. J.

论文摘要

有效且负担得起的农药以优化农作物产量和支持我们不断增长的人群的健康的全球重要性不能低估。但是,要开发新产品或针对气候变化和环境变化而改善现有产品既有时间又是昂贵的,这就是为什么农业化学行业越来越有兴趣将机械模型作为其配方开发工具箱的一部分。在这项工作中,我们开发了这样的模型,以描述在整个叶子表面的农药喷雾液滴的吸收。我们通过识别外表皮作为摄取的主要障碍来简化叶片结构。结果是一种新型的混合模型,其中两个混合良好的隔室被膜分开,在其中我们描述了农药的时空分布。这导致边界值偏微分方程问题与我们在数值上求解的一对普通微分方程系统耦合。我们还将农药制剂简化为两个关键组成部分:产生农药的所需作用的活性成分和一种佐剂,该佐剂存在于配方中,以促进有效吸收活性成分进入叶片中。这种方法会引起浓度依赖性扩散。我们使用较小的实验数据集采用直观的方法来进行参数估计,然后证明了浓度依赖性扩散在复制数据中的重要性。最后,我们证明了需要进一步工作来确定农药的物理化学特性如何影响叶片表面和跨叶表的流动。

The global importance of effective and affordable pesticides to optimise crop yield and to support health of our growing population cannot be understated. But to develop new products or refine existing ones in response to climate and environmental changes is both time-intensive and expensive which is why the agrochemical industry is increasingly interested in using mechanistic models as part of their formulation development toolbox. In this work, we develop such a model to describe uptake of pesticide spray droplets across the leaf surface. We simplify the leaf structure by identifying the outer cuticle as the main barrier to uptake; the result is a novel, hybrid model in which two well-mixed compartments are separated by a membrane in which we describe the spatio-temporal distribution of the pesticide. This leads to a boundary value partial differential equation problem coupled to a pair of ordinary differential equation systems which we solve numerically. We also simplify the pesticide formulation into two key components: the Active Ingredient which produces the desired effect of the pesticide and an Adjuvant which is present in the formulation to facilitate effective absorption of the Active Ingredient into the leaf. This approach gives rise to concentration-dependent diffusion. We take an intuitive approach to parameter estimation using a small experimental data set and subsequently demonstrate the importance of the concentration-dependent diffusion in replicating the data. Finally, we demonstrate the need for further work to identify how the physicochemical properties of pesticides affect flow into and across the leaf surface.

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