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Theoritecal Investigation of Kinetics and Thermodynamic of Vitamin Antioxidants Reaction Mechanism, in Particular Vitamin C, with Free Radicals

Safari Yazd, Hoda | 2017

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 49709 (03)
  4. University: Sharif University of Technology
  5. Department: Chemistry
  6. Advisor(s): Gholami, Mohammad Reza
  7. Abstract:
  8. Antioxidants are compounds which prevent free radicals from aggregation and formation in body cells. vitamin C, E and carotene are among the most important antioxidant that have reduction properties. free radicals have great chemical reactivity which can react with different types of compound in human body such as lipids, cell membrane and proteins and cause different illnesses. Antioxidants with various mechanisms such as hydrogen atom transfer, single electron transfer SPLET, sequential proton loss electron transfer and radical adduct formation can stable free radicals and also become non-active compounds, antioxidant properties of these compounds related to structure and their functional groups. In this work, with Spartan software, Vitamin C’s conformes determined and the most stable conformer selected for following research. By using Gaussian software in this research and considering various functional groups in vitamin C, kinetic and thermodynamic of different mechanisms are studied for antioxidant property of vitamin C in different solvents (water, methanol, dichloroethane and …). According to the studied parameters, Hydrogen Atom Transfer mechanism is the most probable mechanism for vitamin C antioxidant activity
  9. Keywords:
  10. Antioxidant ; Vitamin C ; Vitamine E ; Reactivity ; Hydrogen Atom Transfer

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