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The geometries and energies of PIC’s and ISO’s conformers.

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posted on 2017-01-09, 19:11 authored by Yang Lu, AiHua Wang, Peng Shi, Hui Zhang

The structures were fully optimized at M05-2X/6-311++G(d,p) level of theory, in water solution.

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A Theoretical Study on the Antioxidant Activity of Piceatannol and Isorhapontigenin Scavenging Nitric Oxide and Nitrogen Dioxide Radicals
PLOS ONEPLOS ONE

Categories

  • Biophysics
  • Biochemistry
  • Cell Biology
  • Molecular Biology
  • Biotechnology
  • Chemical Sciences not elsewhere classified
  • Biological Sciences not elsewhere classified
  • Developmental Biology
  • Cancer
  • Infectious Diseases
  • Virology

Keywords

reaction mechanismsHAT mechanismPICstilbene compounds piceatannolSPLETRAF mechanismsequential proton loss electron transferelectron transferantioxidant activityTheoretical Studyreaction channelsDFTISO scavengeIsorhapontigenin Scavenging Nitric Oxideadduct formationNitrogen Dioxide Radicalshydrogen atom transferwater solutionAntioxidant Activity

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