Mezzari Melissa P, Van Aken Benoit, Yoon Jong M, Just Craig L, Schnoor Jerald L
Department of Civil and Environmental Engineering, The University of Iowa, Iowa City, Iowa 52242, USA.
Int J Phytoremediation. 2004;6(4):323-45. doi: 10.1080/16226510490888839.
Three mathematical models were developed based on a fate study as an approach to define transformation pathways of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) within plant cells. [U-14C]RDX and [U-14C]HMX were added in Murashige and Skoog (MS) liquid media containing Populus deltoides x P. nigra (DN34) tissue cultures. Radioactivity of samples was analyzed using HPLC, a bio-oxidizer and liquid scintillation counter. Based on information collected, transformation pathways of nitramine compounds were fitted with the raw data obtained and using a modified "green liver" model. Ordinary differential equations were developed and simulations were performed with MicroMath Scientist version 2.0 (MicroMath Inc., St. Louis, MO, USA). The three models, with different sequential transformation processes, were tested in order to support the raw data (model I) and the assumptions of the modified "green liver" model (models II and III). The results showed a high correlation between the collected data and the simulated concentrations for all models. Thus, the simplest model developed (model I) is the best model description of these particular results. The results obtained suggest that the principle of parsimony should be applied. The "green liver"-based models also demonstrated a reliable approach for the investigation of degradation pathways of nitramines within plant cells.
基于一项归宿研究开发了三种数学模型，以此作为定义六氢-1,3,5-三硝基-1,3,5-三嗪（RDX）和八氢-1,3,5,7-四硝基-1,3,5,7-四氮杂环辛烷（HMX）在植物细胞内转化途径的一种方法。将[U-14C]RDX和[U-14C]HMX添加到含有美洲黑杨×欧洲黑杨（DN34）组织培养物的Murashige和Skoog（MS）液体培养基中。使用高效液相色谱、生物氧化器和液体闪烁计数器分析样品的放射性。根据收集到的信息，将硝胺化合物的转化途径与获得的原始数据进行拟合，并使用改进的“绿色肝脏”模型。建立了常微分方程，并使用MicroMath Scientist 2.0版（美国密苏里州圣路易斯市的MicroMath公司）进行模拟。对具有不同连续转化过程的三种模型进行了测试，以支持原始数据（模型I）和改进的“绿色肝脏”模型的假设（模型II和III）。结果表明，所有模型的收集数据与模拟浓度之间具有高度相关性。因此，所开发的最简单模型（模型I）是对这些特定结果的最佳模型描述。获得的结果表明应应用简约原则。基于“绿色肝脏”的模型也证明了一种用于研究植物细胞内硝胺降解途径的可靠方法。
