Quantum Chemical Investigation on the Antioxidant Activity of Neutral and Anionic Forms of Juglone: Metal Chelation and Its Effect on Radical Scavenging Activity
المؤلفون المشاركون
Tamafo Fouegue, Aymard Didier
Ghogomu, Julius Numbonui
Bikélé Mama, Désiré
Nkungli, Nyiang Kennet
Younang, Elie
المصدر
العدد
المجلد 2017، العدد 2017 (31 ديسمبر/كانون الأول 2017)، ص ص. 1-14، 14ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2017-05-31
دولة النشر
مصر
عدد الصفحات
14
التخصصات الرئيسية
الملخص EN
The chelation ability of divalent Mg, Ca, Fe, Co, Ni, Cu, Zn, and monovalent Cu ions by neutral and anionic forms of juglone has been investigated at DFT/B3LYP/6-31+G(d,p) level of theory in gas and aqueous phases.
It is noteworthy that only the 1 : 1 stoichiometry was considered herein.
The effects of these metals on the radical scavenging activity of neutral juglone were evaluated via the usual descriptors of hydrogen atom transfer.
According to our results, metal chelation by the two forms of juglone was spontaneous and exothermic in both media.
Based on the binding energies, Cu(II) ion showed the highest affinity for the ligands.
QTAIM analyses identified the metal-ligand bonds as intermediate type interactions in all the chelates, except those of Ca and Mg.
It was also found that the chelates were better radical scavengers than the ligands.
In the gas phase, the scavenging activity of the compounds was found to be governed by direct hydrogen atom transfer, the Co(II) chelate being the most reactive.
In the aqueous phase also, the sequential proton loss electron transfer was preferred by all the molecules, while the Cu(II) chelates were the most reactive.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Tamafo Fouegue, Aymard Didier& Ghogomu, Julius Numbonui& Nkungli, Nyiang Kennet& Bikélé Mama, Désiré& Younang, Elie. 2017. Quantum Chemical Investigation on the Antioxidant Activity of Neutral and Anionic Forms of Juglone: Metal Chelation and Its Effect on Radical Scavenging Activity. Journal of Chemistry،Vol. 2017, no. 2017, pp.1-14.
https://search.emarefa.net/detail/BIM-1171672
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Tamafo Fouegue, Aymard Didier…[et al.]. Quantum Chemical Investigation on the Antioxidant Activity of Neutral and Anionic Forms of Juglone: Metal Chelation and Its Effect on Radical Scavenging Activity. Journal of Chemistry No. 2017 (2017), pp.1-14.
https://search.emarefa.net/detail/BIM-1171672
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Tamafo Fouegue, Aymard Didier& Ghogomu, Julius Numbonui& Nkungli, Nyiang Kennet& Bikélé Mama, Désiré& Younang, Elie. Quantum Chemical Investigation on the Antioxidant Activity of Neutral and Anionic Forms of Juglone: Metal Chelation and Its Effect on Radical Scavenging Activity. Journal of Chemistry. 2017. Vol. 2017, no. 2017, pp.1-14.
https://search.emarefa.net/detail/BIM-1171672
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-1171672
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
أضخم قاعدة بيانات عربية للاستشهادات المرجعية للمجلات العلمية المحكمة الصادرة في العالم العربي
تقوم هذه الخدمة بالتحقق من التشابه أو الانتحال في الأبحاث والمقالات العلمية والأطروحات الجامعية والكتب والأبحاث باللغة العربية، وتحديد درجة التشابه أو أصالة الأعمال البحثية وحماية ملكيتها الفكرية. تعرف اكثر