Photophysical origin of the reduced photodynamic therapy activity of temocene compared to Foscan®: insights from theory.

نویسندگان

  • Marta E Alberto
  • Tiziana Marino
  • Angelo D Quartarolo
  • Nino Russo
چکیده

In order to explain the reduced photodynamic (PDT) activity of a recently proposed m-tetra (hydroxyphenyl) porphycene derivative (temocene or THPPo) in terms of singlet oxygen quantum yields compared to porphyrin analogue Foscan (m-THPC), a time dependent DFT investigation has been carried out. Computed electronic transitions, singlet-triplet energy gaps and spin-orbit coupling matrix elements (SOCME) can be related to the reduced PDT activity.

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عنوان ژورنال:
  • Physical chemistry chemical physics : PCCP

دوره 15 38  شماره 

صفحات  -

تاریخ انتشار 2013