Citrus IntegroPectin: a computational insight
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.
Authors
- Mario Pagliaro (ORCID: https://orcid.org/0000-0002-5096-329X)
- Angela Bonura (ORCID: https://orcid.org/0000-0002-7006-9279)
- Giampaolo Barone (ORCID: https://orcid.org/0000-0001-8773-2359)
- Rosaria Ciriminna (ORCID: https://orcid.org/0000-0001-6596-1572)
- Valentina Di Liberto (ORCID: https://orcid.org/0000-0002-8574-0061)
- Francesco Meneguzzo (ORCID: https://orcid.org/0000-0002-5952-9166)
- Giovanna Li Petri (ORCID: https://orcid.org/0000-0001-6113-5978)
- Valeria Butera (ORCID: https://orcid.org/0000-0002-4344-8118)
- Chiara Valenza (ORCID: https://orcid.org/0000-0003-4544-8960)
- Giuseppe Angellotti (ORCID: https://orcid.org/0000-0001-9226-4748)
Institutions
- Institute of Nanostructured Materials (IT)
- Institute of Biosciences and Bioresources (IT)
- Istituto di Farmacologia Traslazionale (IT)
- University of Palermo (IT)
Publication Details
- Journal
- Discover Molecules
- Published
- 2025-04-01
- DOI
- https://doi.org/10.1007/s44345-025-00013-z
- Citations
- 7
- Primary Topic
- Polysaccharides and Plant Cell Walls
- Type
- article
- Field-Weighted Citation Impact
- 12.25
Funders
- Ministero dell'Università e della Ricerca