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<p>In this study, copolymeric hydrogels based on hydroxyethyl methacrylate (HEMA), citronellol, and poly(ethylene glycol) diacrylate (PEGDA) were synthesized via UV-induced free-radical photopolymerization. Selected formulations were subsequently impregnated with a bitter gourd powder suspension. The resulting hydrogels (HCP0-HCP5) displayed composition-dependent physicochemical and antibacterial properties. SEM analysis revealed that bitter gourd impregnation promoted partial pore closure and a denser internal morphology, while FT-IR analysis confirmed the presence of the characteristic functional groups of all components within the hydrogel network. Swelling studies demonstrated a maximum swelling ratio of 221.4% for HCP0, whereas increasing HEMA content reduced swelling because of enhanced network cohesion. HCP0 also showed the highest hydrolytic degradation (53.5% after 4 weeks), although all formulations showed gradual degradation throughout the study. Antibacterial activity revealed negligible activity for HCP0 and HCP1, whereas HCP2-HCP5 inhibited <i>Staphylococcus aureus</i> (8–12&#xa0;mm), with HCP4 and HCP5 also inhibiting <i>Escherichia coli</i> (8 and 12&#xa0;mm). Complementary in silico analyses based on density functional theory and molecular dynamics demonstrated that HEMA and citronellol play distinct yet complementary roles in regulating hydration and swelling. Increasing HEMA content enhanced hydrophilicity and intermolecular cohesion while restricting volumetric expansion, whereas citronellol-rich compositions promoted chain mobility and free volume. The experimental and computational findings demonstrate that the properties of poly(HEMA-co-citronellol) hydrogels can be tailored through compositional control for potential wound dressing applications.</p>

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Photopolymerization of sustainable HEMA-citronellol copolymer hydrogels: in silico evaluation, physicochemical properties, and antibacterial performance

  • 期刊论文

  • 发表日期：

    2026年7月21日

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  • Azra Albayrak,
  • Münteha Girgin,
  • Nigar Kantarci-Carsibasi,
  • Uğur Parin,
  • Fatma Nur Parin

摘要

In this study, copolymeric hydrogels based on hydroxyethyl methacrylate (HEMA), citronellol, and poly(ethylene glycol) diacrylate (PEGDA) were synthesized via UV-induced free-radical photopolymerization. Selected formulations were subsequently impregnated with a bitter gourd powder suspension. The resulting hydrogels (HCP0-HCP5) displayed composition-dependent physicochemical and antibacterial properties. SEM analysis revealed that bitter gourd impregnation promoted partial pore closure and a denser internal morphology, while FT-IR analysis confirmed the presence of the characteristic functional groups of all components within the hydrogel network. Swelling studies demonstrated a maximum swelling ratio of 221.4% for HCP0, whereas increasing HEMA content reduced swelling because of enhanced network cohesion. HCP0 also showed the highest hydrolytic degradation (53.5% after 4 weeks), although all formulations showed gradual degradation throughout the study. Antibacterial activity revealed negligible activity for HCP0 and HCP1, whereas HCP2-HCP5 inhibited Staphylococcus aureus (8–12 mm), with HCP4 and HCP5 also inhibiting Escherichia coli (8 and 12 mm). Complementary in silico analyses based on density functional theory and molecular dynamics demonstrated that HEMA and citronellol play distinct yet complementary roles in regulating hydration and swelling. Increasing HEMA content enhanced hydrophilicity and intermolecular cohesion while restricting volumetric expansion, whereas citronellol-rich compositions promoted chain mobility and free volume. The experimental and computational findings demonstrate that the properties of poly(HEMA-co-citronellol) hydrogels can be tailored through compositional control for potential wound dressing applications.