Experimental and theoretical studies on the photoinduced acute toxicity of a series of anthraquinone derivatives towards the water flea (Daphnia magna)

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