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<p>The function of steviosides (STE) as natural modifiers for zein-based films and the mechanisms behind their binding are not well understood. In this research, we explored the self-assembly process between STE and zein using UV–visible spectroscopy, fluorescence spectroscopy, thermodynamic analysis, and computational docking. Multispectral studies showed that STE causes conformational changes in zein, facilitating its self-assembly into STE-zein complexes. Thermodynamic results revealed that the binding is driven by entropy (<i>ΔS</i> = + 395.54&#xa0;J·mol⁻¹·K⁻¹), overcoming an endothermic energy barrier (<i>ΔH</i> = + 92.43&#xa0;kJ·mol⁻¹) to form spontaneous complexes (<i>ΔG</i> = − 32.15&#xa0;kJ·mol⁻¹) with strong affinity (<i>Ka</i> = 4.3 × 10⁵ M⁻¹). Molecular docking clarified that the binding involves both hydrogen bonds and hydrophobic interactions. The resulting STE-zein films showed notable improvements: flexibility increased by 3.4 times, surface hydrophobicity improved by 38.6%, and antioxidant activity was strong (44.9% DPPH and 75.1% ABTS radical scavenging). By linking molecular interactions to overall material properties, this STE-driven self-assembly approach presents a new method for creating sustainable packaging materials, especially suited for foods sensitive to oxygen.</p>

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Entropy-Driven Self-Assembly of Stevioside-Zein: molecular binding insights optimize multifunctional sustainable films

  • 期刊论文

  • 发表日期：

    2025年11月12日

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  • Jun Zhang,
  • Yanfei Zhang,
  • Qianwei Li,
  • Menting Wei,
  • Lina Jiang

摘要

The function of steviosides (STE) as natural modifiers for zein-based films and the mechanisms behind their binding are not well understood. In this research, we explored the self-assembly process between STE and zein using UV–visible spectroscopy, fluorescence spectroscopy, thermodynamic analysis, and computational docking. Multispectral studies showed that STE causes conformational changes in zein, facilitating its self-assembly into STE-zein complexes. Thermodynamic results revealed that the binding is driven by entropy (ΔS = + 395.54 J·mol⁻¹·K⁻¹), overcoming an endothermic energy barrier (ΔH = + 92.43 kJ·mol⁻¹) to form spontaneous complexes (ΔG = − 32.15 kJ·mol⁻¹) with strong affinity (Ka = 4.3 × 10⁵ M⁻¹). Molecular docking clarified that the binding involves both hydrogen bonds and hydrophobic interactions. The resulting STE-zein films showed notable improvements: flexibility increased by 3.4 times, surface hydrophobicity improved by 38.6%, and antioxidant activity was strong (44.9% DPPH and 75.1% ABTS radical scavenging). By linking molecular interactions to overall material properties, this STE-driven self-assembly approach presents a new method for creating sustainable packaging materials, especially suited for foods sensitive to oxygen.