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论文类型：期刊论文

发表时间：2009-12-01

发表刊物：DYES AND PIGMENTS

收录刊物：SCIE、EI、Scopus

卷号：83

期号：3

页面范围：276-280

ISSN号：0143-7208

关键字：Anthraquinone dyes; Photoinduced toxicity; Daphnia magna; Energy gap; Photosensitization; TD-DFT calculations

摘要：The photoinduced acute toxicity of four-teen anthraquinone derivatives to Daphnia magna was investigated. Whilst in the dark, all of dyes exhibited no observable toxicity at the maximum test concentration used, in the presence of visible light, all of the colorants, with the exception of three nitro-anthraquinones, were acutely toxic towards the water flea over a wide range of medium effective concentrations (4.3-4186.7 nmol L-1). Generally, the acute toxicity of the dyes was higher in the presence of full-spectrum simulated solar radiation compared with visible light; in addition, the photoinduced toxicity of the dyes increased with increase in their hydrophobicity. The energy gap between the lowest unoccupied molecular orbital and the highest occupied molecular orbital was found to indicate the relative photoinduced toxicity of the dyes. Time-dependent density functional theory calculations revealed that singlet oxygen and the superoxide anion could be generated through direct energy transfer or autoionization of the excited state of the dyes. (C) 2009 Elsevier Ltd. All rights reserved.