2011
DOI: 10.2478/s11532-011-0128-1
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Ab initio study regarding the evaluation of the antioxidant character of cyanidin, delphinidin and malvidin

Abstract: A theoretical study regarding the evaluation of the antioxidant character of three of the most wide-spread anthocyanidins (cyanidin, delphinidin and malvidin) was carried out at ab initio level. Different parameters (bond dissociation enthalpy, ionization potential, proton affinity, and electron transfer enthalpy) were computed for each OH group of the compounds in order to predict their antioxidant capacity. Several molecular descriptors based on frontier molecular orbital theory (hardness, electrophilicity, … Show more

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Cited by 27 publications
(18 citation statements)
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“…As one of the commonest and most predominant anthocyanins that exist in red wines and black rice, malvidin is found to exhibit an important antioxidant and anti‐inflammatory activity 12,13 . It has been revealed in an in vitro study that malvidin has a strong antioxidant ability, along with other crucial properties for free radicals scavenging 14 . A study by Huang et al on endothelial cells suggests that blubbery (rich in malvidin) has a reducing effect on ROS, xanthine oxidase‐1, and an increasing impact on the superoxide dismutase (SOD) levels 5 .…”
Section: Introductionmentioning
confidence: 99%
“…As one of the commonest and most predominant anthocyanins that exist in red wines and black rice, malvidin is found to exhibit an important antioxidant and anti‐inflammatory activity 12,13 . It has been revealed in an in vitro study that malvidin has a strong antioxidant ability, along with other crucial properties for free radicals scavenging 14 . A study by Huang et al on endothelial cells suggests that blubbery (rich in malvidin) has a reducing effect on ROS, xanthine oxidase‐1, and an increasing impact on the superoxide dismutase (SOD) levels 5 .…”
Section: Introductionmentioning
confidence: 99%
“…Malvidin possesses great antioxidant capacity with excellent free radical scavenging properties in vitro [ 7 ]. Malvidin exhibits antihypertensive activity by inhibiting angiotensin I-converting enzyme and anti-inflammatory effect by blocking NF- κ B pathway [ 8 , 9 ].…”
Section: Introductionmentioning
confidence: 99%
“…CAJY exhibited potent anti-oxidant activities involving DPPH radical scavenging, GSH enhanced activity, and reduced cellular ROS production. A theoretical study evaluated the anti-oxidant character of three common anthocyanidins (cyanidin, delphinidin, and malvidin) 35) according to different parameters (bond dissociation enthalpy, ionization potential, proton affinity, and electron transfer enthalpy) and the atomic charges corresponding to the O atoms of the hydroxyl groups. In addition, the anti-oxidant effect of anthocyanins involves free radical scavenging by OH groups.…”
Section: Discussionmentioning
confidence: 99%