Ren Shijin, Frymier Paul D
Department of Chemical Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA.
Environ Toxicol Chem. 2002 Dec;21(12):2649-53.
Luminescent bacterium Shk1 was created for the purpose of testing and screening the toxicity of activated sludge wastewater treatment plant influent to avoid toxic shock to the wastewater treatment plant microorganisms. The toxicity of a number of organic compounds was tested using an assay employing Shk1. Because these compounds exhibit toxicity by mechanisms of both polar and nonpolar narcosis, their toxicity cannot be properly modeled together using a quantitative structure-activity relationship model based on the logarithm of the octanol-water partition coefficient (log K(ow)). A solvation parameter model was developed to describe and predict the nonspecific (i.e., polar and nonpolar narcosis) toxicity of organic compounds to Shk1, which does not depend on the discrimination between polar and nonpolar narcotic compounds. The statistically significant model descriptors were the McGowan's characteristic volume (V(x)) and the hydrogen-bond basicity (sigmabetaH). The model was similar to the solvation parameter model developed for Vibrio fischeri, but it did not include an excess molar refraction (R) term.
发光细菌Shk1是为测试和筛选活性污泥废水处理厂进水的毒性而创建的，以避免对废水处理厂微生物造成毒性冲击。使用Shk1检测法对多种有机化合物的毒性进行了测试。由于这些化合物通过极性和非极性麻醉机制表现出毒性，因此无法使用基于正辛醇-水分配系数对数（log K(ow)）的定量构效关系模型对它们的毒性进行恰当的共同建模。开发了一种溶剂化参数模型来描述和预测有机化合物对Shk1的非特异性（即极性和非极性麻醉）毒性，该模型不依赖于区分极性和非极性麻醉化合物。具有统计学意义的模型描述符是麦高恩特征体积（V(x)）和氢键碱度（sigmabetaH）。该模型与为费氏弧菌开发的溶剂化参数模型相似，但不包括过量摩尔折射（R）项。
