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.
Alberto, M., Marino, T., Quartarolo, A., Russo, N. (2013). Photophysical origin of the reduced photodynamic therapy activity of temocene compared to Foscan®: Insights from theory. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 15(38), 16167-16171 [10.1039/C3CP52698D].
Photophysical origin of the reduced photodynamic therapy activity of temocene compared to Foscan®: Insights from theory
Alberto M;
2013
Abstract
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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