PBAT是生物降解的,但是它的生物降解产品的毒性呢?
Ana Martínez1, Emiliano Perez-Sanchez2, Alexis Caballero2
1Departamento de Materiales de Baja Dimensionalidad, Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior S. N. Ciudad Universitaria, 04510, CDMX, Mexico City, México. martina@unam.mx.
Journal of molecular modeling
|July 18, 2024
概括
像PBAT这样的可生物降解塑料可能会给环境带来风险. 它们的分解产品,特别是带有环的产品,与原始塑料具有相似的毒性,可能会损害植物生长.
科学领域:
- 环境化学环境化学
- 聚合物科学 聚合物科学
- 计算化学的计算化学
背景情况:
- 聚乙烯基酸盐-联合甲酸盐 (PBAT) 是一种广泛使用的可生物降解塑料.
- 对PBAT及其降解产品对环境的影响存在担忧.
研究的目的:
- 通过量子化学计算,研究PBAT及其降解产品的潜在毒性.
- 分析电子传输容量作为毒性的测量.
主要方法:
- 密度函数理论 (DFT) 的计算使用高斯 16.6 进行.
- 在没有对称性约束的情况下,使用了M062x/6-311+g(2d,p) 理论水平.
- 电力捐赠和电力接收功率被计算为响应函数.
主要成果:
- 发现含有环的生物降解产品是强大的电子受体,与PBAT和基 (OOH•) 相似.
- 计算的电子转移能力表明,PBAT的降解产品可能与母聚合物一样有毒.
- 这种毒性可能解释了对植物光合作用和生长的观察到的负面影响.
结论:
- 可生物降解塑料,包括PBAT及其降解产品可能构成重大环境风险.
- 电子接受降解产品的特性表明生物危害的潜力.
- 需要进一步的研究来充分了解可生物降解塑料的生态毒理学影响.
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