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<p>As a valuable biomonitoring matrix, the molecular mechanisms of selective interactions between hair components and contaminants remain poorly understood. Here, we investigated the relationship between hair components and two contaminant classes with contrasting properties: persistent per- and polyfluoroalkyl substances (PFAS) and rapidly metabolized organophosphate esters (OPEs) and their metabolites (mOPEs), using hair samples collected quarterly over 2 years from 24 female e-waste dismantlers in southern China. Results showed positive correlations between triphenyl phosphate (TPHP) and short-chain ceramides, and negative correlations between 6:2 chlorinated polyfluorinated ether sulfonate (6:2 Cl-PFESA) and long-chain ceramides. Molecular docking revealed TPHP binds to medium/short-chain ceramides via hydrogen bonds and hydrophobic interactions (ΔG = −2.8 to −3.9 kcal mol<sup>−1</sup>), and 6:2 Cl-PFESA has stronger affinity to keratin via halogen bonds (ΔG = −5.6 kcal mol<sup>−1</sup>). These findings provide quantitative and molecular insights into selective contaminant-biocomponent interactions in hair, supporting complementary use of hair for environmental exposure monitoring.</p><p></p>

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Interactions of emerging contaminants with endogenous hair components can help detect exposure

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2026年6月26日

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  • Lulu Huang,
  • Xue Cao,
  • Li Li,
  • Ying Lin,
  • Qilong Liao,
  • Zhengyang Yuan,
  • Shiyi Zhang,
  • Bairui Chen,
  • Xinzhuo Hao,
  • Fengshan Cai,
  • Xi Zhuang,
  • Meihuan Wang,
  • Mingzhong Ren,
  • Jing Zheng

摘要

As a valuable biomonitoring matrix, the molecular mechanisms of selective interactions between hair components and contaminants remain poorly understood. Here, we investigated the relationship between hair components and two contaminant classes with contrasting properties: persistent per- and polyfluoroalkyl substances (PFAS) and rapidly metabolized organophosphate esters (OPEs) and their metabolites (mOPEs), using hair samples collected quarterly over 2 years from 24 female e-waste dismantlers in southern China. Results showed positive correlations between triphenyl phosphate (TPHP) and short-chain ceramides, and negative correlations between 6:2 chlorinated polyfluorinated ether sulfonate (6:2 Cl-PFESA) and long-chain ceramides. Molecular docking revealed TPHP binds to medium/short-chain ceramides via hydrogen bonds and hydrophobic interactions (ΔG = −2.8 to −3.9 kcal mol−1), and 6:2 Cl-PFESA has stronger affinity to keratin via halogen bonds (ΔG = −5.6 kcal mol−1). These findings provide quantitative and molecular insights into selective contaminant-biocomponent interactions in hair, supporting complementary use of hair for environmental exposure monitoring.