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<p>Imparted with uniquely high and broad-scope bioactivity including antioxidant, anti-inflammatory, cardioprotective, neuroprotective, antimicrobial and anticancer properties, the IntegroPectin bioconjugate obtained from citrus processing waste via hydrodynamic cavitation (HC) was investigated via Density Functional Theory computational approach. The main flavonoids of grapefruit (naringenin), orange (hesperidin), and lemon (eriocitrin) were taken into account along with a model structure for pectin including the RG-I rhamnogalacturonan chains. Results indicate that the pectin-flavonoid conjugate formation is slightly endergonic for all three conjugates, confirming the key role of HC in opening an energy window that allows overcoming the slightly positive ΔG<sub>form</sub> thanks to the energy released by the imploding cavitation bubbles.</p>

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Citrus IntegroPectin: a computational insight

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年4月1日

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  • Valeria Butera,
  • Rosaria Ciriminna,
  • Chiara Valenza,
  • Giovanna Li Petri,
  • Giuseppe Angellotti,
  • Giampaolo Barone,
  • Francesco Meneguzzo,
  • Valentina Di Liberto,
  • Angela Bonura,
  • Mario Pagliaro

摘要

Imparted with uniquely high and broad-scope bioactivity including antioxidant, anti-inflammatory, cardioprotective, neuroprotective, antimicrobial and anticancer properties, the IntegroPectin bioconjugate obtained from citrus processing waste via hydrodynamic cavitation (HC) was investigated via Density Functional Theory computational approach. The main flavonoids of grapefruit (naringenin), orange (hesperidin), and lemon (eriocitrin) were taken into account along with a model structure for pectin including the RG-I rhamnogalacturonan chains. Results indicate that the pectin-flavonoid conjugate formation is slightly endergonic for all three conjugates, confirming the key role of HC in opening an energy window that allows overcoming the slightly positive ΔGform thanks to the energy released by the imploding cavitation bubbles.