Department of Biological & Environmental Engineering, Semyung University, 65 Semyung-ro, Jecheon-si, Chungcheongbuk-do 27136, Republic of Korea.
Department of Civil & Environmental Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 08826, Republic of Korea.
J Hazard Mater. 2020 Mar 5;385:121619. doi: 10.1016/j.jhazmat.2019.121619. Epub 2019 Nov 7.
Biotic ligand model (BLM) was extended to predict the toxicity of inorganic arsenate (iAs(V)) to the luminescent bacteria, Aliivibrio fischeri. As the pH increased from 5 to 9, the HAsO form predominated more than the HAsO form did, and the EC[As] (50% effective iAs(V) concentration) decreased drastically from 3554 ± 393 to 39 ± 6 μM; thus, the HAsO form was more toxic to A. fischeri than HAsO. As the HPO activity increased from 0 to 0.44 mM, the EC{HAsO} values (50% effective HAsO activity) increased from 31 ± 6 to 859 ± 128 μM, indicating that the toxicity of iAs(V) decreased, owing to the competition caused by the structural similarity between iAs(V) and phosphate ions. However, activities of Ca, Mg, K, SO, NO, and HCO did not significantly affect the EC{HAsO} values. The BLM was reconstructed to take into account the effects of pH and phosphate, and the conditional binding constants for HPO, HPO, HAsO, and HAsO to the active binding sites of A. fischeri were obtained; 3.424 for logK, 4.588 for logK, 3.067 for logK, and 4.802 for logK. The fraction of active binding sites occupied by iAs(V) to induce 50% toxicity (f) was found to be 0.616.
生物配体模型（BLM）被扩展用于预测无机砷酸盐（iAs(V)）对发光细菌 Aliivibrio fischeri 的毒性。随着 pH 值从 5 增加到 9，HAsO 形式比 HAsO 形式更为优势，EC[As]（50%有效 iAs(V)浓度）从 3554±393 急剧下降到 39±6μM；因此，HAsO 形式比 HAsO 形式对 A. fischeri 的毒性更大。随着 HPO 活性从 0 增加到 0.44mM，EC{HAsO}值（50%有效 HAsO 活性）从 31±6 增加到 859±128μM，表明由于 iAs(V)和磷酸盐离子之间的结构相似性引起的竞争，iAs(V)的毒性降低。然而，Ca、Mg、K、SO、NO 和 HCO 的活性并没有显著影响 EC{HAsO}值。BLM 被重建以考虑 pH 值和磷酸盐的影响，并获得了 HPO、HPO、HAsO 和 HAsO 与 A. fischeri 活性结合位点的条件结合常数；logK 为 3.424，logK 为 4.588，logK 为 3.067，logK 为 4.802。iAs(V)占据活性结合位点以引起 50%毒性（f）的分数被发现为 0.616。
