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<p>Growing environmental concerns and the need to reduce synthetic dye pollution are driving the textile industry toward eco-friendly and renewable alternatives. This study explores the valorization of <i>Daphne gnidium</i> L. extract as a sustainable and multifunctional natural colorant for wool fibers. The aqueous extract, obtained via microwave-assisted extraction (MAE), was characterized for its antioxidant potential using the DPPH radical scavenging assay, exhibiting strong activity with an IC<sub>50</sub> value of 0.02&#xa0;mg/mL. This high reactivity reflects the abundance of phenolic and flavonoid compounds capable of donating hydrogen atoms or electrons to neutralize free radicals. The influence of key dyeing parameters (pH, temperature, and time) on color strength was optimized using response surface methodology (RSM). Optimal dyeing conditions of pH 7, 90&#xa0;°C, and 60&#xa0;min yielded the highest color strength, uniform brown shades, and excellent washing and light fastness. The interaction between dyestuff and wool was discussed through density functional theory (DFT) calculations. Frontier molecular orbital (FMO) analysis revealed small HOMO–LUMO gaps and significant charge-transfer interactions, while non-covalent interaction (NCI) analysis confirmed the presence of stabilizing hydrogen bonds contributing to complex stability. Overall, this study provides an integrated experimental computational approach demonstrating that <i>Daphne gnidium</i> L. extract combines strong antioxidant activity with high dyeing performance and fiber affinity, validating its potential as a sustainable, bioactive alternative to synthetic dyes in textile applications.</p>

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Eco-Friendly Dyeing of Wool Fibers Using Daphne gnidium L. Extract: Optimization, Antioxidant Activity, and DFT Modeling of Dye–Fiber Interactions

  • 期刊论文

  • 发表日期：

    2026年2月1日

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  • Maha Abdelileh,
  • Marwa Souissi,
  • Nourredine Baaka,
  • Hatem Dhaouadi

摘要

Growing environmental concerns and the need to reduce synthetic dye pollution are driving the textile industry toward eco-friendly and renewable alternatives. This study explores the valorization of Daphne gnidium L. extract as a sustainable and multifunctional natural colorant for wool fibers. The aqueous extract, obtained via microwave-assisted extraction (MAE), was characterized for its antioxidant potential using the DPPH radical scavenging assay, exhibiting strong activity with an IC50 value of 0.02 mg/mL. This high reactivity reflects the abundance of phenolic and flavonoid compounds capable of donating hydrogen atoms or electrons to neutralize free radicals. The influence of key dyeing parameters (pH, temperature, and time) on color strength was optimized using response surface methodology (RSM). Optimal dyeing conditions of pH 7, 90 °C, and 60 min yielded the highest color strength, uniform brown shades, and excellent washing and light fastness. The interaction between dyestuff and wool was discussed through density functional theory (DFT) calculations. Frontier molecular orbital (FMO) analysis revealed small HOMO–LUMO gaps and significant charge-transfer interactions, while non-covalent interaction (NCI) analysis confirmed the presence of stabilizing hydrogen bonds contributing to complex stability. Overall, this study provides an integrated experimental computational approach demonstrating that Daphne gnidium L. extract combines strong antioxidant activity with high dyeing performance and fiber affinity, validating its potential as a sustainable, bioactive alternative to synthetic dyes in textile applications.