Department of Civil and Environmnetal Engineering, École de Technologie Supérieure University of Québec, Montréal, Québec, H3C 1K3, Canada; Station Expérimentale des Procédés Pilotes en Environnement (STEPPE-ÉTS, École de Technologie Supérieure), Montréal, Québec, H3C 1K3, Canada.
Department of Civil and Environmnetal Engineering, École de Technologie Supérieure University of Québec, Montréal, Québec, H3C 1K3, Canada; Station Expérimentale des Procédés Pilotes en Environnement (STEPPE-ÉTS, École de Technologie Supérieure), Montréal, Québec, H3C 1K3, Canada.
Chemosphere. 2024 Nov;367:143665. doi: 10.1016/j.chemosphere.2024.143665. Epub 2024 Nov 6.
Perfluorooctanoic acid (PFOA) is a pervasive environmental contaminant with well-documented toxic effects on both humans and animals, attracting significant scientific concern. Due to its affinity for proteins, research has predominantly focused on PFOA's interactions with biological macromolecules. However, the specific role of smaller molecules, such as amino acids, remains underexplored. This study uniquely evaluates the potential of l-tryptophan (L-Trp) to mitigate PFOA toxicity and investigates the interaction mechanisms involved. Results indicate that the presence of L-Trp in PFOA-contaminated water reduces acute toxicity in Daphnia magna, with an optimal molar ratio of approximately 1:2 (Trp:PFOA). The findings reveal that non-covalent interactions, particularly van der Waals forces and hydrogen bonds, are central to the Trp-PFOA complex formation. Additional contributions from hydrophobic interactions at the indole group and electrostatic forces between carbonyl and amine groups further stabilize the complex. These interactions likely reduce PFOA's toxicity by altering its bioavailability and distribution. While this study offers valuable insights into the binding mechanisms between L-Trp and PFOA, it raises important questions about the reversibility of this interaction and its applicability to other per- and polyfluoroalkyl substances (PFASs).
全氟辛酸(PFOA)是一种普遍存在的环境污染物,对人类和动物都有明确的毒性作用,引起了科学界的高度关注。由于其与蛋白质的亲和力,研究主要集中在 PFOA 与生物大分子的相互作用上。然而,较小分子(如氨基酸)的具体作用仍未得到充分探索。本研究独特地评估了 l-色氨酸(L-Trp)减轻 PFOA 毒性的潜力,并研究了涉及的相互作用机制。结果表明,在受 PFOA 污染的水中存在 L-Trp 可降低大型溞(Daphnia magna)的急性毒性,最佳摩尔比约为 1:2(Trp:PFOA)。研究结果表明,非共价相互作用,特别是范德华力和氢键,是 Trp-PFOA 复合物形成的核心。吲哚基团的疏水相互作用和羰基与胺基之间的静电力进一步稳定了复合物。这些相互作用可能通过改变 PFOA 的生物利用度和分布来降低其毒性。虽然这项研究提供了关于 L-Trp 和 PFOA 之间结合机制的有价值的见解,但它也提出了关于这种相互作用的可逆性及其对其他全氟和多氟烷基物质(PFASs)的适用性的重要问题。