کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7596945 1492130 2014 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Computational study of the structure-free radical scavenging relationship of procyanidins
ترجمه فارسی عنوان
مطالعه محاسباتی نسبت پروتئینیدین ها به پراکندگی رادیکال آزاد ساختار
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
چکیده انگلیسی
Procyanidins (PCs) are effective free radical scavengers, however, their antioxidant ability is variable because they have different degrees of polymerisation, are composed by distinct types of subunits and are very susceptible to changes in conformation. In this work the structure-free radical scavenging relationship of monomers, dimers and trimers of PCs was studied through the hydrogen atom transfer (HAT), sequential proton-loss electron-transfer (SPLET) and single electron transfer followed by proton transfer (SET-PT) mechanisms in aqueous phase, employing the Density Functional Theory (DFT) computational method. The structure-free radical scavenging relationship of PCs showed a very similar behaviour in HAT and SET-PT mechanisms, but very different in the SPLET mechanism. The structural factor that showed more effects on the ability of PCs to scavenge free radicals in aqueous phase was the conformation.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Food Chemistry - Volume 161, 15 October 2014, Pages 155-161
نویسندگان
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