An ab initio computational study on selected lycopene isomers

  title={An ab initio computational study on selected lycopene isomers},
  author={Gregory A. Chasse and Melody L Mak and Eugen Deretey and Imre Farkas and Ladislaus L. Torday and Julius Gy. Papp and Dittakavi S. R. Sarma and Anita Agarwal and Sujatha Chakravarthi and Sanjiv Agarwal and A. V. Rao},
Abstract Lycopene is an effective antioxidant in vivo. Although lycopene is present in its all- trans isomeric form in fruits and vegetables, serum and tissue samples show a predominance of various cis -isomers of lycopene. The present study was undertaken to investigate the molecular structure of several cis -isomers of lycopene using an ab initio molecular modeling procedure. The relative stability of selected cis- isomers of lycopene with respect to the all- trans isomer, was studied. The… CONTINUE READING


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