Extension of biotic ligand model to account for the effects of pH and phosphate in accurate prediction of arsenate toxicity
- Authors
- An, Jinsung; Jeong, Buyun; Nam, Kyoungphile
- Issue Date
- Mar-2020
- Publisher
- Elsevier BV
- Keywords
- Aliivibrio fischeri; Arsenate toxicity; Biotic ligand model; pH; Phosphate
- Citation
- Journal of Hazardous Materials, v.385, pp 1 - 7
- Pages
- 7
- Indexed
- SCIE
SCOPUS
- Journal Title
- Journal of Hazardous Materials
- Volume
- 385
- Start Page
- 1
- End Page
- 7
- URI
- https://scholarworks.bwise.kr/erica/handle/2021.sw.erica/114072
- DOI
- 10.1016/j.jhazmat.2019.121619
- ISSN
- 0304-3894
1873-3336
- Abstract
- 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 HAsO42- form predominated more than the H2AsO4- form did, and the EC50[As]T (50% effective iAs(V) concentration) decreased drastically from 3554 ± 393 to 39 ± 6 μM; thus, the HAsO42- form was more toxic to A. fischeri than H2AsO4-. As the HPO42- activity increased from 0 to 0.44 mM, the EC50{HAsO42-} values (50% effective HAsO42- 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 Ca2+, Mg2+, K+, SO42-, NO3-, and HCO3- did not significantly affect the EC50{HAsO42-} values. The BLM was reconstructed to take into account the effects of pH and phosphate, and the conditional binding constants for H2PO4-, HPO42-, H2AsO4-, and HAsO42- to the active binding sites of A. fischeri were obtained; 3.424 for logKXH2PO4, 4.588 for logKXHPO4, 3.067 for logKXH2AsO4, and 4.802 for logKXHAsO4. The fraction of active binding sites occupied by iAs(V) to induce 50% toxicity (fmix50%) was found to be 0.616. © 2019 Elsevier B.V.
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