Chen Can, Wang Jian-Long
Laboratory of Environmental Technology, Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084, China.
Huan Jing Ke Xue. 2007 Aug;28(8):1732-7.
Utilizing similar methods and ideas of QSAR in metal toxicity assessment, we tried to establish the relationship between the ion characteristics of heavy metals and the biosorption capacity by waste biomass of Saccharomyces cerevisiae, obtained from a local brewery. The biosorption experiment was carried out and the maximum biosorption capacity (q(max)) was determined by the Langmuir isotherm model. The values of q(max) decreased in order on mole basis: Pb2+ > Ag+ > Cr3+ > Cu2+ > Zn2+ > Cd2+ > Co2+ > Sr2+ > Ni2+ > Cs+. The biomass prefer to bind class B ions (Pb2+ and Ag+), then borderline ions, and last hard ions (Sr2+ and Cs+) based on the HASB principle. Twenty two parameters of physiochemical characteristics of ions were selected to correlate q(max). Linear regression analysis showed that only one parameter, i.e., the covalent index X2(m)r was correlated well to q(max) for all metal ions tested. The greater the covalent index value of metal ion was, the greater was potential to form covalent bonds with biological ligands, and the larger was the metal ion biosorption. Classification of metal ions (for divalent ion or for soft-hard ion) improved the models. More properties such as polarizing power Z2/r or the first hydrolysis constant /lgK(OH)/ or ionization potential IP were statistically significant. X2(m)r seemed to be suitable to account for metal ions containing soft ions, whereas Z2/r, /lgK(OH)/ and IP suitable for only soft ions or metal ions without soft ions.
利用定量构效关系(QSAR)在金属毒性评估中的类似方法和思路,我们试图建立重金属离子特性与从当地啤酒厂获得的酿酒酵母废弃生物质的生物吸附能力之间的关系。进行了生物吸附实验,并通过朗缪尔等温线模型确定了最大生物吸附容量(q(max))。以摩尔为基础,q(max)值依次降低:Pb2+ > Ag+ > Cr3+ > Cu2+ > Zn2+ > Cd2+ > Co2+ > Sr2+ > Ni2+ > Cs+。根据硬软酸碱(HASB)原理,生物质优先结合B类离子(Pb2+和Ag+),然后是边界离子,最后是硬离子(Sr2+和Cs+)。选择了22个离子的物理化学特性参数来关联q(max)。线性回归分析表明,对于所有测试的金属离子,只有一个参数,即共价指数X2(m)r与q(max)有良好的相关性。金属离子的共价指数值越大,与生物配体形成共价键的潜力就越大,金属离子的生物吸附量也就越大。金属离子的分类(对于二价离子或软硬离子)改进了模型。更多的性质,如极化率Z2/r或一级水解常数/lgK(OH)/或电离势IP在统计学上具有显著性。X2(m)r似乎适合解释含有软离子的金属离子,而Z2/r、/lgK(OH)/和IP仅适用于软离子或不含软离子的金属离子。