摘要
The sendempirical method AM1 was used to calculate AHOF values ofperylenequinone (PQ), and HOF was used as a theoretical parameter to predict the scavengingability of Po hydroxyls. Owing to strong intramolecular hydrogen bonds and the electronattracting property of the keto-function, hydroxyls of PQ were so weak in scavenging free radicalsthat the its effect was negligible in photodynandc therapy. However, when Po was substitilted withstrong electron-donating groups, its scavenging activity was enhanced markedly.
The sendempirical method AM1 was used to calculate AHOF values ofperylenequinone (PQ), and HOF was used as a theoretical parameter to predict the scavengingability of Po hydroxyls. Owing to strong intramolecular hydrogen bonds and the electronattracting property of the keto-function, hydroxyls of PQ were so weak in scavenging free radicalsthat the its effect was negligible in photodynandc therapy. However, when Po was substitilted withstrong electron-donating groups, its scavenging activity was enhanced markedly.
