Modeling the Interaction and Uptake of Cd−As(V) Mixture to Wheat Roots Affected by Humic Acids, in Terms of root cell Membrane Surface Potential (ψ_0)
Modeling the Interaction and Uptake of Cd−As(V) Mixture to Wheat Roots Affected by Humic Acids, in Terms of root cell Membrane Surface Potential (ψ_0)
复制标题
DOI：
10.1007/s00128-023-03765-x
复制
发表时间：
2023-06
影响因子：
2.7
通讯作者：
Bing Xu;Yiyi Zhou;Mei-Chiung Huang;P. Cui;Tongliang Wu;Dongmei Zhou;Cun Liu;Yujun Wang
中科院分区：
文献类型：
--
作者：
Bing Xu;Yiyi Zhou;Mei-Chiung Huang;P. Cui;Tongliang Wu;Dongmei Zhou;Cun Liu;Yujun Wang
通过水培实验，研究了pH、共存阳离子、腐植酸等环境因素对Cd2+和As(V)混合物对小麦根系的联合毒理学影响。通过将根细胞膜表面电位ψ0纳入基于组合生物配体模型（BLM）的Gouy−Chapman−Stern（GCS）模型和NICA-DONNAN模型的机理模型，进一步探讨了腐殖酸存在下溶液与根部界面共存的Cd2+和As（V）的相互作用和毒理学机制。此外，用含有Cd2+和H2AsO4−的溶液平衡的脂质双层的分子动力学（MD）模拟进一步揭示了不同膜表面电位下重金属（类）离子的分子分布。 H2AsO4−和Cd2+可以单独或以复合物的形式吸附在膜表面，这巩固了宏观物理模型的局限性。
The joint toxicological effects of Cd2+and As(V) mixture on wheat root as affected by environmental factors, such as pH, coexisting cations, and humic acids etc., were investigated using hydroponic experiments. The interaction and toxicological mechanisms of co-existing Cd2+and As(V) at the interface of solution and roots in presence of humic acid were further explored by incorporating root cell membrane surface potential ψ0into a mechanistic model of combined biotic ligand model (BLM)-based Gouy−Chapman−Stern (GCS) model and NICA-DONNAN model. Besides, molecular dynamics (MD) simulations of lipid bilayer equilibrated with solution containing Cd2+and H2AsO4−further revealed the molecular distribution of heavy metal(loid) ions under different membrane surface potentials. H2AsO4−and Cd2+can be adsorbed on the surface of the membrane alone or as complexes, which consolidate the limitation of the macroscopic physical models.