2-thiocytosine has been researched along with 2-thio-6-azathymine* in 1 studies
1 other study(ies) available for 2-thiocytosine and 2-thio-6-azathymine
| Article | Year |
|---|---|
On the decay of the triplet state of thionucleobases.
Singlet oxygen production upon photosensitization plays a critical role in drugs based on thionucleobases. While for immunosuppressants its yield must be near zero, for phototherapeutic drugs it should be near the unity. In this work, we apply high-level quantum chemical modelling to investigate the decay of the triplet state of thionucleobases, a main determinant of the singlet oxygen yield. Working on CASPT2 optimizations of two prototypical thiothymines (2-thiothymine and 6-aza-2-thiothymine), we showed that the T Topics: Cytosine; Molecular Conformation; Quantum Theory; Singlet Oxygen; Thermodynamics; Thymine; Triazines | 2017 |