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首页> 外文期刊>Environmental toxicology and chemistry >ESTIMATING BIOCONCENTRATION FACTORS, LETHAL CONCENTRATIONS AND CRITICAL BODY RESIDUES OF METALS IN THE MOLLUSKS PERNA VIRIDIS AND MYTILUS EDULIS USING ION CHARACTERISTICS
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ESTIMATING BIOCONCENTRATION FACTORS, LETHAL CONCENTRATIONS AND CRITICAL BODY RESIDUES OF METALS IN THE MOLLUSKS PERNA VIRIDIS AND MYTILUS EDULIS USING ION CHARACTERISTICS

机译：利用离子特征估算软体动物中豌豆和豌豆中金属的生物富集因子，脂质浓度和临界身体残留

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摘要

Quantitative structure-activity relationships (QSARs) for metal bioconcentration factors (BCF) and median acute lethal water concentrations (LC50) were developed for two species of mollusks, Perna viridis and Mytilus edulis. These endpoints were related to four metal ion characteristics, the covalent index (x_m~2r) (r represents the ion radius in A), the softness index (σ_p), the hydrolysis constant (K_(OH)) and the ionic index (Z~2/r). The BCF and LC50 were significantly correlated to x_m~2r- The coefficients of determination r2 for the relationships with other metal descriptors were much lower. Critical body residue (CBR) QSARs were derived by multiplying the X_M~2r-based BCF and LC50 regressions. The CBRs were independent of the covalent index x_m~2r as BCF and LC50 scaled to x_m~2r with slope that had opposite signs. Comparison of the estimated CBRs with independent empirical values confirmed the predicted trends, but substantial deviations were noted too.
机译：针对两种软体动物，Perna viridis和Mytilus edulis，建立了金属生物富集因子（BCF）和中位急性致死水浓度（LC50）的定量构效关系（QSARs）。这些终点与四个金属离子特性有关，共价指数（x_m〜2r）（r表示A中的离子半径），柔软度指数（σ_p），水解常数（K_（OH））和离子指数（Z 〜2 / r）。 BCF和LC50与x_m〜2r显着相关。与其他金属描述符之间关系的测定系数r2低得多。通过将基于X_M〜2r的BCF和LC50回归相乘，得出关键身体残留（CBR）QSAR。当BCF和LC50的斜率符号相反时，CBR与共价指数x_m〜2r无关。将估计的CBR与独立的经验值进行比较，可以确认预测的趋势，但也注意到了很大的偏差。

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  • 来源
    《Environmental toxicology and chemistry》 |2008年第2期|272-276|共5页
  • 作者

    Maurits van Kolck; Mark A.J. Huijbregts; Karin Veltman; A. Jan Hendriks;

  • 作者单位

    Department of Environmental Science, Institute for Water and Wetland Research, Radboud University Nijmegen, P.O. Box 9010,6500 GL Nijmegen, The Netherlands;

    Department of Environmental Science, Institute for Water and Wetland Research, Radboud University Nijmegen, P.O. Box 9010,6500 GL Nijmegen, The Netherlands;

    Department of Environmental Science, Institute for Water and Wetland Research, Radboud University Nijmegen, P.O. Box 9010,6500 GL Nijmegen, The Netherlands;

    Department of Environmental Science, Institute for Water and Wetland Research, Radboud University Nijmegen, P.O. Box 9010,6500 GL Nijmegen, The Netherlands;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    toxicity; metals; mollusks; quantitative structure-activity relationships; covalent index;

    机译：毒性;金属;软体动物定量的构效关系共价指数;

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