生物分配胶束色谱法：一种评估苯胺和酚类生态毒性的高通量替代方法。
Biopartitioning micellar chromatography: an alternative high-throughput method for assessing the ecotoxicity of anilines and phenols.
作者信息
Bermúdez-Saldaña J M, Escuder-Gilabert L, Medina-Hernández M J, Villanueva-Camañas R M, Sagrado S
机构信息
Departamento de Química Analítica, Universitat de València, C/Vicente Andrés Estellés s/n, E-46100 Burjassot, Valencia, Spain.
出版信息
J Chromatogr B Analyt Technol Biomed Life Sci. 2007 Jun 1;852(1-2):353-61. doi: 10.1016/j.jchromb.2007.01.041. Epub 2007 Feb 14.
An investigation of the use of the chromatographic retention (log k) as an in vitro approach for modelling the toxicity to Fathead Minnows of anilines and phenols is developed. A data set of 65 compounds with available experimental toxicity data was used. Log k data at three pH values were used for the compounds classification and two groups or 'MODEs' were identified. For one 'MODE' a quantitative retention-activity relationship (QRAR) model was calculated. Finally, it was used to estimate the toxicity to Fathead minnows of anilines and phenols for which experimental data are not available. These estimations were compared to those obtained from another toxicity (to Tetrahymena pyriformis) data set and those estimated from a U.S. EPA QSAR approach (ECOSAR software) to decide on the toxicity level according to the Directive 3/21/EEC.
开展了一项关于使用色谱保留值（log k）作为体外方法来模拟苯胺和苯酚对黑头呆鱼毒性的研究。使用了一个包含65种具有可用实验毒性数据的化合物数据集。利用三种pH值下的log k数据对化合物进行分类，并识别出两组或“模式”。对于其中一种“模式”，计算了定量保留-活性关系（QRAR）模型。最后，该模型用于估计那些没有实验数据的苯胺和苯酚对黑头呆鱼的毒性。将这些估计值与从另一个毒性数据集（针对梨形四膜虫）获得的估计值以及从美国环境保护局的定量构效关系方法（ECOSAR软件）估计的值进行比较，以根据指令3/21/EEC确定毒性水平。
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