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首页> 外文期刊>Environmental toxicology and chemistry >Toxicity assessment of mono-substituted benzenes and phenols using a Pseudomonas initial oxygen uptake assay.
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Toxicity assessment of mono-substituted benzenes and phenols using a Pseudomonas initial oxygen uptake assay.

机译：使用假单胞菌初始氧气吸收测定法评估单取代苯和苯酚的毒性。

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摘要

A methodology is presented for assessing the toxicity of chemical substances through their inhibitory action toward the Pseudomonas initial oxygen uptake (PIOU) rate. The current studies reveal that the PIOU assay is rapid, cost-efficient, and easy to perform. The oxygen uptake rate was found to be associated with a putative benzoate transporter and highly dependent on benzoate concentration. The putative benzoate transporter has been shown to follow Michaelis-Menten kinetics. Most phenols were found to be noncompetitive inhibitors of the benzoate transporter. The inhibition constant (Ki) of these noncompetitive inhibitors can be related to the concentration causing 50% oxygen uptake inhibition in Pseudomonas putida. Modeling these data by using the response-surface approach leads to the development of a quantitative structure-activity relationship (QSAR) for the toxicity of phenols ((1/Ki) = -0.435 (+/-0.038) lowest-unoccupied-molecular orbital + 0.517 (+/-0.027)log K(OW) - 2.340 (+/-0.068), n = 49, r2 = 0.930, s = 0.107, r2adj = 0.926, F = 303.1). A comparison of QSAR models derived from the Ki data of the PIOU method and the toxicity data of 40-h Tetrahymena pyrifomis growth inhibition assay (Tetratox) indicated that there was a high correlation between the two approaches (r2 = 0.925).
机译：提出了一种通过化学物质对假单胞菌初始摄氧量（PIOU）的抑制作用来评估化学物质毒性的方法。当前的研究表明，PIOU分析是快速，经济高效且易于执行的。发现吸氧速率与假定的苯甲酸酯转运蛋白有关，并且高度依赖于苯甲酸酯浓度。推定的苯甲酸酯转运蛋白已证明遵循Michaelis-Menten动力学。发现大多数苯酚是苯甲酸酯转运蛋白的非竞争性抑制剂。这些非竞争性抑制剂的抑制常数（Ki）可能与恶臭假单胞菌中引起50％氧气吸收抑制的浓度有关。通过使用响应面方法对这些数据进行建模，导致针对苯酚毒性（（1 / Ki）= -0.435（+/- 0.038）最低未占据分子轨道的毒性的定量构效关系（QSAR）的发展+ 0.517（+/- 0.027）log K（OW）-2.340（+/- 0.068），n = 49，r2 = 0.930，s = 0.107，r2adj = 0.926，F = 303.1）。从PIOU方法的Ki数据和40-h四膜虫热生长抑制试验（Tetratox）的毒性数据得出的QSAR模型的比较表明，两种方法之间存在高度相关性（r2 = 0.925）。

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