Mechanism of dye solubilization and de-aggregation by urea
Mechanism of dye solubilization and de-aggregation by urea
复制标题
DOI：
10.1016/j.dyepig.2021.109530
复制
发表时间：
2021-06-25
影响因子：
4.5
通讯作者：
Shimizu, Seishi
中科院分区：
文献类型：
--
作者：
Perry, James M.;Kanasaki, Yu Nagai;Shimizu, Seishi
尿素是低水溶性染料的有效增溶剂。为了在分子水平上建立尿素作为有效增溶剂的作用背后的原因，我们采用了基于Kirkwood-Buff溶液理论的严格统计热力学方法。我们发现：（i）与经典的“水结构破坏”假设相反，尿素对染料水合作用的影响对增溶作用的贡献很小;（ii）增溶作用的驱动力是尿素在疏水染料分子周围的积累。
Urea is an effective solubilizer for dyes with low aqueous solubility. To establish, at a molecular level, the reason behind the action of urea as an effective solubilizer, we employ a rigorous statistical thermodynamics approach based on the Kirkwood-Buff theory of solutions. We show that (i) contrary to the classical hypothesis on "water structure breaking", the effect of urea on dye hydration makes a minor contribution to solubilization; (ii) the driving force of solubilization is the accumulation of urea around hydrophobic dye molecules.