预测盐对PFAS与蛋白质的结合的影响
Yi Gao1, Tohren C G Kibbey2, Matthew J Lee1,3
1School of Civil and Environmental Engineering, Water Research Centre and Water Research Laboratory, The University of New South Wales, Sydney, New South Wales 2052, Australia.
盐显著改变了和多基物质 (PFAS) 与牛血清白蛋白 (BSA) 等蛋白质的结合方式. 了解这些盐的影响对于预测PFAS环境命运和潜在毒性至关重要.
科学领域:
- 环境化学环境化学
- 毒理学 毒理学 毒理学
- 生物化学 生物化学
背景情况:
- 和多醇基物质 (PFAS) 通过与蛋白质结合,在组织中积累,造成不良健康影响.
- 盐对环境和生物系统至关重要的PFAS-蛋白相互作用的影响仍然在很大程度上未被研究.
研究的目的:
- 调查盐对各种阴性PFAS和牛血清白蛋白 (BSA) 之间的结合亲和力的影响.
- 探索PFAS结构,盐成分,离子强度和pH等因素如何调节这些相互作用.
- 在不同的盐度条件下开发PFAS结合亲和力的预测模型.
主要方法:
- 研究了阴性PFAS (如PFOA,PFOS,GenX) 与BSA在各种盐状况中的相互作用.
- 分析的结合亲和力取决于PFAS链长度,头部组,盐类型,离子强度和pH值.
- 使用热力学分析来阐明相互作用机制.
- 开发了PFAS-BSA结合亲和力的预测模型.
主要成果:
- PFAS/BSA结合亲和力是由PFAS分子结构,盐成分,离子强度和pH调节的.
- 增加的离子强度和降低的离子价值减弱了PFAS/BSA相互作用.
- 盐对结合的影响在较低的pH值时更加明显.
- 热力学分析显示出一种疏水主导的相互作用机制.
- 开发了一个模型来预测PFAS结合,显示了盐对废水协会的显著影响.
结论:
- 盐度和成分是PFAS与蛋白质相互作用的关键决定因素.
- 开发的模型提供了对PFAS环境分布和潜在毒性的洞察力,受盐度的影响.
- 这项研究强调了在对PFAS进行环境风险评估时考虑盐的影响的重要性.
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