A computational study of the interactions between anthocyans and cyclodextrins
-
Raluca Pop
,
Adina Căta
Abstract
The interactions between six anthocyans (cyanidin-3-O-glucoside, delphinidin-3-O-glucoside, malvidin-3-O-glucoside, cyanidin-3-O-rutinoside, delphinidin-3-O-rutinoside, malvidin-3-O-rutinoside) and cyclodextrins were investigated by means of computational techniques. Four different structures of the aforementioned anthocyans were considered, as a result of the dependence structure – pH value (flavylium cations in acidic medium, hemiketals in neutral solutions and two tautomeric quinones in alkaline environment). The results outlined that the anthocyanidin-3-O-rutinoside are favored for the obtaining of inclusion complexes with the cyclodextrins, mostly due to the larger number of OH groups involved in the formation of hydrogen bonds. For all the four types of structures, best results have been obtained for β- and γ-cyclodextrins.
Funding source: National Authority for Scientific Research (Romania)
Acknowledgments
This work is part of the project PN 19 22 03 01/2019 “Supramolecular inclusion complexes of some natural and synthetic compounds with applications in health”, carried out under NUCLEU Program funded by National Authority for Scientific Research (Romania) (A.C., M.N.Ș., I.M.C.I.).
Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
Research funding: None declared.
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
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Supplementary Material
The online version of this article offers supplementary material (https://doi.org/10.1515/znc-2020-0072).
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Artikel in diesem Heft
- Frontmatter
- Research articles
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Artikel in diesem Heft
- Frontmatter
- Research articles
- Modulation of antibiotic resistance by the essential oil of Ocimum gratissimum L. in association with light-emitting diodes (LED) lights
- Dynamic analysis of the mathematical model of COVID-19 with demographic effects
- Biochemical evidences for M1-, M17- and M18-like aminopeptidases in marine invertebrates from Cuban coastline
- Hexanal inhalation affects cognition and anxiety-like behavior in mice
- Overexpression of a novel E3 ubiquitin ligase gene from Coptis chinensis Franch enhances drought tolerance in transgenic tobacco
- Topiroxostat ameliorates oxidative stress and inflammation in sepsis-induced lung injury
- A computational study of the interactions between anthocyans and cyclodextrins
- Chemical characterization of the lipids in femoral gland secretions of wild male tegu lizards, Salvator merianae (Squamata, Teiidae) in comparison with captive-bred males
- Metabolite profiling by means of GC-MS combined with principal component analyses of natural populations of Nectaroscordum siculum ssp. bulgaricum (Janka) Stearn
- human monoamine oxidase (hMAO) A and hMAO B inhibitors from Artemisia dracunculus L. herniarin and skimmin: human mononamine oxidase A and B inhibitors from A. dracunculus L.
- Rapid communications
- Chemical composition and anticholinesterase inhibitory activity of Pavetta graciliflora Wall. ex Ridl. essential oil
- Chemical composition of the essential oils of four Polyalthia species from Malaysia
- Composition of the essential oils of three Malaysian Xylopia species (Annonaceae)
- Chemical characterization of Goniothalamus macrophyllus and Goniothalamus malayanus leaves’ essential oils
- Effect of pH on xylitol production by Candida species from a prairie cordgrass hydrolysate
