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 toporphyrin 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.
"Photophysical origin of the reduced photodynamic therapy activity of temocene compared to Foscan®: Insights from theory"
Alberto M
;Marino T;Quartarolo A;Russo N
2013-01-01
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 toporphyrin 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.File in questo prodotto:
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