Quantitative structure-activity relationships for the inhibition toxicity to root elongation of Cucumis sativus of selected phenols and interspecies correlation with Tetrahymena pyriformis

The comparative toxicities of selected phenols to higher plants Cucumis sativus were measured and the negative logarithm molar concentration of the root elongation median inhibition (IRC50) were derived. Quantitative structure-activity relationships (QSARs) were developed to explore the toxicity influencing factors and for predictive purpose. The toxicity data, fell into two classes: polar narcosis and bio-reactive. For polar narcotic phenols, a highly significant two-parameter QSAR based on 1-octanol/water partition coefficient (logKow) and energy of the lowest unoccupied orbital (E(lumo)) was derived (IRC50 = 0.77 log Kow - 0.39E(lumo) + 2.36 n = 22 r2 = 0.89). The five bio-reactive chemicals proved to show elevated toxicity due to their typical substructure involved diverse reactive mechanisms. In an effort to model all chemicals, a robust multiple-variable QSAR combining logKow, E(lumo) and Qmax, the most negative net atomic charge, was developed (IRC50 = 0.65 logKow - 0.72E(lumo) + 0.23Qmax + 2.81 n = 27 r2 = 0.94), indicating that hydrophobicity, electrophilicity and hydrogen bond interaction contribute mainly to the phytotoxicity. The toxicological data was compared with Tetrahymena pyriformis 2-d population growth inhibition toxicity (IGC50) and excellent interspecies correlations were observed both for the polar narcotics and for five reactive chemicals (for polar narcotics: IRC50 = 0.95IGC50 + 1.07 n = 16 r2 = 0.89; for bio-reactive chemicals: IRC50 = 0.98IGC50 + 2.19 n = 5 r2 = 0.97; and for all: IRC50 = 0.93IGC50 + 1.63 n = 21 r2 = 0.87). This suggested that T pyriformis toxicity could serve as a surrogate of C. sativus toxicity for phenols and interspecies correlation also could be established for reactive chemicals.     

Determination of atmospheric nitrate particulate size distribution and dry deposition velocity for three distinct areas

In this study, both atmospheric particulates and dry deposited particulates were collected at a highway intersection, coastal location and suburban area in Taichung, Taiwan for the characterization of nitrate containing particulates (NCPs) in size distribution and dynamic properties. Collected particulates were placed in contact with nitron (C20H16N4) to form distinctive products of NCPs, which were examined by a SEM. For total atmospheric particulates, the sum of NCP and non-nitrate containing particulate (NNCP), the average shape factor values are 1.69, 1.49, and 1.36 for the highway intersection, coastal area and suburban area, respectively. The calculated shape factors show no significant differences with sizes. Dry deposition fluxes and atmospheric concentrations at various size ranges were estimated. The mass distributed in fine particle range (相似文献   

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Effect of Earthworm(Pheretima sp.) Density on Revegetation of Lead/zinc Metal Mine Tailings Amended with Soil

Abstract

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