碱基
量子
非规范的
光生物学
化学
光化学
物理
DNA
量子力学
生物
光学
生物化学
细胞生物学
作者
Serra Arslancan,Lara Martínez‐Fernández,Inés Corral
出处
期刊:Molecules
[Multidisciplinary Digital Publishing Institute]
日期:2017-06-18
卷期号:22 (6): 998-998
被引量:64
标识
DOI:10.3390/molecules22060998
摘要
Interest in understanding the photophysics and photochemistry of thiated nucleobases has been awakened because of their possible involvement in primordial RNA or their potential use as photosensitizers in medicinal chemistry. The interpretation of the photodynamics of these systems, conditioned by their intricate potential energy surfaces, requires the powerful interplay between experimental measurements and state of the art molecular simulations. In this review, we provide an overview on the photophysics of natural nucleobases’ thioanalogs, which covers the last 30 years and both experimental and computational contributions. For all the canonical nucleobase’s thioanalogs, we have compiled the main steady state absorption and emission features and their interpretation in terms of theoretical calculations. Then, we revise the main topographical features, including stationary points and interstate crossings, of their potential energy surfaces based on quantum mechanical calculations and we conclude, by combining the outcome of different spectroscopic techniques and molecular dynamics simulations, with the mechanism by which these nucleobase analogs populate their triplet excited states, which are at the origin of their photosensitizing properties.
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