Biodegradation of PLA in surface water and its behavior towards PFOA: interactional characteristics and computational insights

IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL
Sadam Hussain Tumrani, Bharat Prasad Sharma, Ali Raza Otho, Eman A. Ayob, Mohammed A. Amin, Mohamed Mohamed Soliman, Razium Ali Soomro, Selcan Karakuş
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Abstract

The environmental impact of biodegradable microplastics (BMPs) is profoundly influenced by aging-induced surface transformations, yet their interactions with persistent organic pollutants, such as perfluorooctanoic acid (PFOA), remain poorly understood. This work investigates how aging polylactic acid (PLA), a common BMP, in simulated surface water for 80 days alters its physicochemical properties and behavior towards PFOA. Aging triggered oxidative and hydrolytic degradation, leading to pronounced morphological changes, including increased surface roughness, hydrophilicity, and oxygen-to-carbon (O/C) ratio from 0.82 to 1.28. These transformations introduced hydroxyl and carboxyl functional groups, shifting the PFOA adsorption mechanism from physisorption (in fresh PLA) to chemisorption (in aged PLA) via stronger electrostatic interactions and hydrogen bonding. Additionally, kinetic and isotherm analyses revealed a tenfold increase in PFOA monolayer adsorption capacity for aged PLA (PLA-80) compared to pristine PLA. Density functional theory (DFT) calculations corroborated these findings, demonstrating a reduced HOMO–LUMO energy gap upon PFOA adsorption, indicative of enhanced electronic reactivity and charge transfer. Topological analysis further identified multiple hydrogen-bonding sites, confirming the dominance of electrostatic forces in pollutant retention. These results underscore the critical role of aging in amplifying BMPs’ environmental reactivity, emphasizing the urgent need to incorporate aging processes into risk assessments for biodegradable plastics.

聚乳酸在地表水中的生物降解及其对PFOA的行为:相互作用特征和计算见解
生物可降解微塑料(BMPs)对环境的影响受到老化引起的表面变化的深刻影响,但它们与持久性有机污染物(如全氟辛酸(PFOA))的相互作用仍然知之甚少。本研究研究了聚乳酸(PLA),一种常见的BMP,在模拟地表水中老化80天如何改变其物理化学性质和对PFOA的行为。老化引发氧化和水解降解,导致明显的形态变化,包括表面粗糙度,亲水性和氧碳比(O/C)从0.82增加到1.28。这些转变引入了羟基和羧基官能团,通过更强的静电相互作用和氢键将PFOA的吸附机制从物理吸附(在新鲜PLA中)转变为化学吸附(在陈化PLA中)。此外,动力学和等温线分析显示,与原始PLA相比,老化PLA (PLA-80)的PFOA单层吸附能力增加了10倍。密度泛函理论(DFT)计算证实了这些发现,表明吸附PFOA时HOMO-LUMO能隙减小,表明电子反应性和电荷转移增强。拓扑分析进一步确定了多个氢键位点,证实了静电力在污染物滞留中的主导地位。这些结果强调了老化在放大bmp的环境反应性中的关键作用,强调了将老化过程纳入生物降解塑料风险评估的迫切需要。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Colloid and Polymer Science
Colloid and Polymer Science 化学-高分子科学
CiteScore
4.60
自引率
4.20%
发文量
111
审稿时长
2.2 months
期刊介绍: Colloid and Polymer Science - a leading international journal of longstanding tradition - is devoted to colloid and polymer science and its interdisciplinary interactions. As such, it responds to a demand which has lost none of its actuality as revealed in the trends of contemporary materials science.
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