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Pesticides Curbing Soil Fertility: Effect of Complexation of Free Metal Ions

机译:抑制土壤肥力的农药:游离金属离子络合的影响

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摘要

Researchers have suggested that the reason behind infertility is pernicious effect of broad spectrum pesticides on non target, beneficial microorganism of soil. Here, studying the chelating effect of selective organophosphate and carbamate pesticides with essential metal ions, at all possible combinations of three different pH (4 ± 0.05, 7 ± 0.05 and 9 ± 0.05) and three different temperatures (15 ± 0.5°C, 30 ± 0.5°C and 45 ± 0.5°C), shows very fast rate of reaction which further increases with increase of pH and temperature. Carbonyl oxygen of carbamate and phosphate oxygen of organophosphate were found to be common ligating sites among all the complexes. Formed metal complexes were found to be highly stable and water insoluble on interaction with essential metal ions in solvent medium as well as over silica. Density functional theory (DFT) calculations not only reinforced the experimental observations, but, after a wide computational conformational analysis, unraveled the nature of the high stable undesired species that consist of pesticides complexed by metal ions from the soil. All in all, apart from the direct toxicity of pesticides, the indirect effect by means of complexation of free metal ions impoverishes the soil.
机译:研究人员认为,不育的原因是广谱农药对土壤中非靶标有益微生物的有害作用。在这里,研究三种有机酸(4±0.05、7±0.05和9±0.05)和三种不同温度(15±0.5°C,30)在所有可能的组合下选择性有机磷酸酯和氨基甲酸酯农药与必需金属离子的螯合作用±0.5°C和45±0.5°C),显示出非常快的反应速率,随着pH值和温度的升高进一步增加。在所有配合物中,氨基甲酸酯的羰基氧和有机磷酸的磷酸氧是常见的连接位点。发现形成的金属络合物在溶剂介质中以及在二氧化硅上与必需金属离子相互作用时具有很高的稳定性,并且不溶于水。密度泛函理论(DFT)的计算不仅加强了实验观察,而且经过广泛的计算构象分析,揭示了由土壤中金属离子络合的农药组成的高稳定有害物种的性质。总而言之,除了农药的直接毒性外,通过游离金属离子络合的间接作用使土壤贫瘠。

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