引用本文:
Hong Yu ZHANG. Scavenging Effect of Perylenequinone Hydroxyls on Free Radicals:A Theoretical Study[J]. Chinese Chemical Letters,
1998, 9(12): 1087-1090.
Citation: Hong Yu ZHANG. Scavenging Effect of Perylenequinone Hydroxyls on Free Radicals:A Theoretical Study[J]. Chinese Chemical Letters, 1998, 9(12): 1087-1090.
Citation: Hong Yu ZHANG. Scavenging Effect of Perylenequinone Hydroxyls on Free Radicals:A Theoretical Study[J]. Chinese Chemical Letters, 1998, 9(12): 1087-1090.
Scavenging Effect of Perylenequinone Hydroxyls on Free Radicals:A Theoretical Study
摘要:
The semiempirical method AM1 was used to calculate △HOF values of perylenequinone (PQ), and △HOF was used as a theoretical parameter to predict the scavenging ability of PQ hydroxyls. Owing to strong intramolecular hydrogen bonds and the electron-attracting property of the keto-function, hydroxyls of PQ were so weak in scavenging free radicals that the its effect was negligible in photodynamic therapy. However, when PQ was substituted with strong electron-donating groups, its scavenging activity was enhanced markedly.
English
Scavenging Effect of Perylenequinone Hydroxyls on Free Radicals:A Theoretical Study
Abstract:
The semiempirical method AM1 was used to calculate △HOF values of perylenequinone (PQ), and △HOF was used as a theoretical parameter to predict the scavenging ability of PQ hydroxyls. Owing to strong intramolecular hydrogen bonds and the electron-attracting property of the keto-function, hydroxyls of PQ were so weak in scavenging free radicals that the its effect was negligible in photodynamic therapy. However, when PQ was substituted with strong electron-donating groups, its scavenging activity was enhanced markedly.
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Key words:
- Perylenequinonoid derivatives
- / antioxidant
- / AM1 method
- / △HOF value
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