hrvatski

Ispitivanje antioksidacijskog potencijala prirodnih fenolnih spojeva prisutnih u šumskom voću

Numerous studies have proven that natural compounds present in fruit have potent health benefits, such as reduction in risk of various chronic diseases and diseases related to old age. One of explanations contributes these benefits to antioxidant activity of (poly)phenolic compounds present not only in fruit, but also in vegetables and herbs. Hence the aim of our work was first to determine (poly)phenolic profile of selected wild fruit that can be found in eastern Croatia by using the Phenol-Explorer database. Antioxidant activity of selected (poly)phenols was studied by density functional theory (DFT) method using the M05-2X/6-311++G(d, p)/SMD model. Two studied mechanisms of free radical scavenging, hydrogen atom transfer and sequential proton loss electron transfer, were determined to be thermodynamically probable and competitive mechanisms in polar (aqueous) and non-polar media (pentyl ethanoat). In order to get a deeper insight of studied mechanisms, the Gibbs free energy change of studied natural compounds with a selection of free radicals was also calculated. Obtained results indicate that (poly)phenolic compounds present in wild fruit as efficient deactivators of free radicals with different characteristics, what could explain at least some of health beneficial effects ascribed to a diet based on these fruit.

šumsko voće ; polifenoli ; antioksidacijska aktivnost ; Phenol-Explorer ; DFT

nije evidentirano

engleski

Assessment of antioxidant potential of natural phenolic compounds present in wild fruit

Numerous studies have proven that natural compounds present in fruit have potent health benefits, such as reduction in risk of various chronic diseases and diseases related to old age. One of explanations contributes these benefits to antioxidant activity of (poly)phenolic compounds present not only in fruit, but also in vegetables and herbs. Hence the aim of our work was first to determine (poly)phenolic profile of selected wild fruit that can be found in eastern Croatia by using the Phenol-Explorer database. Antioxidant activity of selected (poly)phenols was studied by density functional theory (DFT) method using the M05-2X/6-311++G(d, p)/SMD model. Two studied mechanisms of free radical scavenging, hydrogen atom transfer and sequential proton loss electron transfer, were determined to be thermodynamically probable and competitive mechanisms in polar (aqueous) and non-polar media (pentyl ethanoat). In order to get a deeper insight of studied mechanisms, the Gibbs free energy change of studied natural compounds with a selection of free radicals was also calculated. Obtained results indicate that (poly)phenolic compounds present in wild fruit as efficient deactivators of free radicals with different characteristics, what could explain at least some of health beneficial effects ascribed to a diet based on these fruit.

wild fruit ; polyphenols ; antioxidant activity ; Phenol-Explorer ; DFT

nije evidentirano