Mechanistic Study of ROS-photogeneration by Pterin

作者：Ji Hong Fang; Shen Liang^*

来源：Pteridines, 2011, 22(3): 73-76.

• Pterin
• Triplet excited state
• Photosensitization mechanism
• Reactive oxygen species
• Density functional theory

Pterins are widespread in biological systems and possess photosensitizing activities. In the present study, the photosensitization mechanism of acid form of pterin (PTA) and basic form of pterin (PTB) is investigated by means of density functional theory calculations. The reactive oxygen species-photogenerating pathways of the lowest triplet excited (T-1) state PTA and PTB are proposed as follows. Through direct energy transfer, both T1 state PTA and PTB can photogenerate O-1(2). Two possible O-2-(-)-generating pathways are proposed according to the electronic parameters of PTA and PTB: i) direct electron transfer from T-1 state PTA and PTB to O-3(2) and the electron transfer reaction is more favorable energetically for PTB in comparison with PTA; and ii) electron transfer from anion radical of PTA and PTB to O-3(2).

• 出版日期2011-9
• 单位上海生物信息技术研究中心; 山东理工大学