Modeling the fate of ionizable pharmaceutical and personal care products (iPPCPs) in soil-plant systems: pH and speciation
Modeling the fate of ionizable pharmaceutical and personal care products (iPPCPs) in soil-plant systems: pH and speciation
复制标题
模拟可电离药品和个人护理产品 (iPPCP) 在土壤-植物系统中的命运：pH 值和形态
DOI：
10.1016/j.envpol.2022.120367
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发表时间：
2022
影响因子：
8.9
通讯作者：
Yang, Yu
中科院分区：
文献类型：
--
作者：
Shahriar, Abrar;Hanigan, David;Verburg, Paul;Pagilla, Krishna;Yang, Yu
建立了一个模型，模拟了再生水在土壤中的pH依赖性形态和归宿，以及再生水在土壤中的植物吸收。模拟表明，pH在调节植物对iPPCPs的吸收中起重要作用，即，布洛芬（IBU;具有羧基）、三氯生（TCS;酚基）和氟西汀（FXT;胺基）作为模型化合物。各种iPPCPs在土壤和植物组织中达到稳态浓度需要89-487天。在pH 9时，IBU、TCS和FXT在植物组织中的模拟稳态浓度分别是pH 5时的2.2-2.3、2.5-2.6和1.07-1.08倍。假设吸附只为中性化合物导致错误计算的iPPCPs在植物组织中的浓度高达一个半数量级。在土壤中，生菜叶，和大豆豆荚的化合物流出主要是由于它们在土壤中的降解和稀释，由于植物组织的生长。总体而言，结果表明，在模拟iPPCPs在土壤-植物系统和植物吸收中的命运时，考虑其pH值和形态的重要性。
A model was developed to simulate the pH-dependent speciation and fate of ionizable pharmaceutical and personal care products (iPPCPs) in soils and their plant uptake during thedt application of reclaimed wastewater to agricultural soils. The simulation showed that pH plays an important role in regulating the plant uptake of iPPCPs, i.e., ibuprofen (IBU; with a carboxylic group), triclosan (TCS; phenolic group), and fluoxetine (FXT; amine group) as model compounds. It took 89–487 days for various iPPCPs to reach the steady-state concentrations in soil and plant tissues. The simulated steady-state concentrations of iPPCPs in plant tissues at pH 9 is 2.2–2.3, 2.5–2.6, and 1.07–1.08 times that at pH 5 for IBU, TCS, and FXT, respectively. Assuming sorption only for neutral compounds led to miscalculation of iPPCPs concentrations in plant tissues by up to one and half orders magnitude. Efflux of compounds in soil, lettuce leaf, and soybean pods was primarily contributed by their degradation in soil and dilution due to plant tissue growth. Overall, the results demonstrated the importance of considering pH and speciation of iPPCPs when simulating their fate in the soil-plant system and plant uptake.