• Title of article

    Theoretical design of new very potent free radical scavengers

  • Author/Authors

    Lespade، نويسنده , , Laure، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2013
  • Pages
    7
  • From page
    108
  • To page
    114
  • Abstract
    The importance of radical scavengers in health or as preservatives in various media is well-established. Their properties are dependant of different factors such as their ability to donate a hydrogen atom or an electron, but also their lipophilicity and chain length for the protection of membranes. This paper presents new compounds with very potent radical scavenging potencies. The improvement in the magnitude of the quantities which reflect the radical scavenging ability can reach 10 kcal/mol with respect to vitamins C or E or other good radical scavengers such as flavonoids. The lipophilicity of these compounds can be increased by adding a tail at the good position without modifying their ability of donating a hydrogen atom. In the same way, the effect of addition of a sugar which increases the solubility in water is analysed.
  • Keywords
    DFT method , Theoretical calculations , Radical scavengers , Addition of a lipophilic tail , Addition of a sugar
  • Journal title
    Computational and Theoretical Chemistry
  • Serial Year
    2013
  • Journal title
    Computational and Theoretical Chemistry
  • Record number

    2286180