Solvatochromic relationship: Prediction of distribution of ionic solutes in aqueous two-phase systems

Cooperativity between various types of polar solute–solvent interactions in aqueous media

“…The ATPSs of the compositions shown below (see in Table 1) were prepared as previously described [4][5][6]. The phases were separated and used for solvatochromic analysis.…”

“…Once , ˛, ˇ, and c parameters in multiple ATPS are determined, the solute specific coefficients can be calculated by multiple linear regression analysis. It was also shown [6] that the partition coefficients of compounds with pre-determined solute specific coefficients in new ATPS with established solvent properties of the phases could be predicted with 90-95% accuracy.…”

“…It has been shown recently that the solute specific coefficients may be determined for a given compound (including proteins) by analysis of partition coefficients of the compound in multiple ATPS with different polymers but the same ionic composition [4][5][6][15][16][17]. Once , ˛, ˇ, and c parameters in multiple ATPS are determined, the solute specific coefficients can be calculated by multiple linear regression analysis.…”

“…Our current understanding of aqueous solvent-solute interactions is very limited, however. Recognizing the difficulties in describing water and its interactions with solutes on the molecular level led us to propose a new approach to quantify and understand these interactions based on solute partitioning in aqueous two-phase systems (ATPS) [4][5][6].…”

“…The solute preferential distribution between the aqueous phases is mainly driven by different solute-solvent interactions [13][14][15][16][17] and it can be described as [4][5][6][15][16][17]:…”