Department of Biological and Environmental Engineering, Cornell University, Ithaca, NY 14853, USA.
School of Environmental Science and Engineering, China-America CRC for Environment & Health, Shandong University, Qingdao 266237, China.
Sci Total Environ. 2024 Dec 10;955:177159. doi: 10.1016/j.scitotenv.2024.177159. Epub 2024 Oct 22.
Sodium dodecyl sulfate (SDS), an anionic surfactant used in many cleaning and hygiene products, is known for its dermal and respiratory toxicity. However, how this surfactant influences the iron dynamics within the body and the mechanism is unknown. We explored the interaction between SDS and human transferrin (HTF), focusing on the effects on iron-binding capacity and structural changes. Results revealed that SDS exposure led to a significant release of iron from HTF in a dose-dependent manner, changing its structure and reducing the iron-binding ability. Spectroscopic analyses showed that the protein secondary structure and skeleton, as well as the micro-environment of aromatic amino acids of HTF, were destroyed after SDS binding. Isothermal titration calorimetry (ITC) results (ΔG, ΔS, and ΔH were -40.1 kcal·mol, 0.16 kcal·mol·K, and 10.1 kcal·mol, respectively) indicated a spontaneous and hydrophobic interaction with one strong binding site. Molecular docking identified the preferred binding sites, emphasizing hydrophobic forces (with the hydrophobic tail) and hydrogen bonds (with the hydrophilic head) as the primary driving forces, which aligns with the ITC results. Overall, this comprehensive analysis sheds light on the intricate interplay between SDS and HTF, providing insights into potential health risks associated with SDS exposure.
十二烷基硫酸钠（SDS）是一种常用的阴离子表面活性剂，存在于许多清洁和卫生产品中，因其皮肤和呼吸道毒性而广为人知。然而，这种表面活性剂如何影响体内的铁动态及其机制尚不清楚。我们探讨了 SDS 与人转铁蛋白（HTF）之间的相互作用，重点研究了对铁结合能力和结构变化的影响。结果表明，SDS 暴露以剂量依赖的方式导致 HTF 中铁的显著释放，改变其结构并降低铁结合能力。光谱分析表明，SDS 结合后，HTF 的蛋白质二级结构和骨架以及芳香族氨基酸的微环境被破坏。等温滴定量热法（ITC）结果（ΔG、ΔS 和 ΔH 分别为-40.1 kcal·mol、0.16 kcal·mol·K 和 10.1 kcal·mol）表明存在自发的疏水相互作用和一个强结合位点。分子对接确定了首选的结合位点，强调了疏水相互作用（带有疏水尾）和氢键（带有亲水头）是主要驱动力，这与 ITC 结果一致。总的来说，这项综合分析揭示了 SDS 和 HTF 之间复杂的相互作用，为 SDS 暴露相关的潜在健康风险提供了深入了解。
