Log Kow values for 14 heterocyclic nitrogen compounds (by traditional shake-flask method) were reported. Reverse phase–high-performance liquid chromatography (RP-HPLC) method and three estimation models—linear solvation energy relationship, molecular connectivity indices (MCIs), and quantum chemical descriptors—were used to study the partition mechanism and to establish the correlations of the ...

Polydimethylsiloxane (PDMS) is commonly used as the coated polymer in the solid phase microextraction (SPME) technique. In this study, the partition coefficients of organic compounds between SPME/PDMS and the aqueous solution were compiled from the literature sources. The correlation analysis for partition coefficients was conducted to interpret the effect of their physicochemical properties an...

Abstract. Planar solidification from an undercooled melt has been considered using the phase-field model. The solute and the phase fields have been found in the limit of small impurity concentration. These solutions in the limit of vanishing velocity of the interface motion give the equilibrium partition coefficient and the liquidus slope. Asymptotic expansions for the solute and for the phase ...

During rapid solidification, solute may be incorporated into the solid phase at a concentration significantly different from that predicted by equilibrium thermodynamics. This process, known as solute trapping, leads to a progressive reduction in the concentration change across the interface as the solidification rate increases. Theoretical treatments of rapid solidification using traditional s...

Motivation: The composition of a metallic liquid can significantly affect the partitioning behavior of elements. For example, some experimental solid metal-liquid metal partition coefficients have been shown to increase by three orders of magnitude with increasing S-content of the metallic liquid [e.g. 1]. Along with S, the presence of other light elements, such as P and C, has also been demons...

Verapamil has been shown to inhibit fentanyl uptake in vitro and is a potent P-glycoprotein inhibitor. Tissue partitioning of loperamide, a commercially available opioid, is closely controlled by the P-gp efflux transporter. The following studies were designed to evaluate the effect of opioids on verapamil partitioning in the lung and brain, in vivo. Opioid (fentanyl or loperamide) was administ...

We explore how the inclusion of an anti-trapping current within a phase-field model of coupled thermo-solutal growth formulated in the thin interface limit actually affects the observed levels of solute trapping during dendritic growth. The problem is made computational tractable by the use of advanced numerical techniques including local mesh adaptivity, implicit temporal discreteization and a...

The effect of nonequilibrium solute trapping by a growing solid under rapid solidification conditions is studied using a phase-field model. Considering a continuous steady-state concentration profile across the diffuse solid-liquid interface, a new definition of the nonequilibrium partition coefficient in the phase-field context is introduced. This definition leads, in particular for high growt...

In a novel application of two-photon scanning fluorescence microscopy, three-dimensional spatial distributions of the hydrophilic and hydrophobic fluorescent probes, sulforhodamine B and rhodamine B hexyl ester, in excised full-thickness human cadaver skin were visualized and quantified. Both sulforhodamine B and rhodamine B hexyl ester were observed to lie primarily in the lipid multilamellae ...