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- W4387540764 abstract "In the lowest excited triplet state, the excited photosensitizer reacts with tissue oxygen and forms reactive oxygen species (ROS), which kills tissue cells in photodynamic therapy (PDT). Metal-free thio-based pure organic molecules and analogous nucleobases can be used as photosensitizers for PDT applications. Using quantum chemical methods, we studied one- and two-photon optical absorptions, fluorescence, and other excited-state properties of substituted thioxanthone derivatives for their potential as photosensitizers for PDT. Our calculated values were compared with the available experimental data. The calculation of the intersystem crossing rate constant for these photosensitizers explains the high quantum yield of the formation of ROS, as reported experimentally. The excited triplet-state population of the photosensitizer occurs through the 1π–π* → 3n−π* channel of intersystem crossing and increases in the presence of halogen substitution." @default.
- W4387540764 created "2023-10-12" @default.
- W4387540764 creator A5006480538 @default.
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- W4387540764 date "2023-10-11" @default.
- W4387540764 modified "2023-10-13" @default.
- W4387540764 title "Exploring Thioxanthone Derivatives as Singlet Oxygen Photosensitizers for Photodynamic Therapy at the Near-IR Region" @default.
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- W4387540764 doi "https://doi.org/10.1021/acs.jpca.3c05780" @default.
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- W4387540764 hasPublicationYear "2023" @default.
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