Using replica density functional theory and Monte Carlo computer simulations we investigate a system of annealed hard spherocylinders adsorbed in a matrix of quenched hard spheres. Theoretical predictions for the partition coefficient, defined as the ratio of density of rods in the matrix and that in a reservoir, agree well with simulation results. Theory predicts the isotropic-nematic transiti...

The recent paper of Williamson and Craig (1) should advance the use of counter-current extraction processes as a potent laboratory implement. The general usefulness of the method in research laboratories is due to the work of Martin and Synge (2), who showed that the process could be expressed mathematically as a binomial expansion, and to the development of the method and a compact apparatus b...

In some living cells the order of penetration of certain cations corresponds to that of their mobilities in water. This has led to the idea that electrolytes pass chiefly as ions through the protoplasmic surface in which the order of ionic mobilities is supposed to correspond to that found in water. If this correspondence could be demonstrated it would not prove that electrolytes pass chiefly a...

A common application of multilevel models is to apportion the variance in the response according to the different levels of the data.Whereas partitioning variances is straightforward in models with a continuous response variable with a normal error distribution at each level, the extension of this partitioning to models with binary responses or to proportions or counts is less obvious. We descr...

Pa and Th are removed from the water column by a process of reversible scavenging which quickly removes Th to the sediment. Pa is less efficiently scavenged onto particles than Th and is therefore more effectively transported via advection and diffusion before it reaches the ocean sediment. This study combines particle fields (dust, opal, CaCO3, POC) derived from observations with the Bern3D in...

Components of the chiral vector of carbon nanotubes have been examined in role of structural descriptors. Two-variable models of water solubility and octanol water partition coefficient calculated with components of the chiral vectors have quite good statistical characteristics. These are in case of the water solubility: n=8, r(2)=0.99998, s=0.05338, F=126,611 (training set); n=8, r(2)=0.9999, ...

This Note rationalizes recently measured partitioning of polyethylene glycol, PEG-3400, from bathing solutions of varying polymer concentrations to -hemolysin channels. To explain the concentration dependence of the partition coefficient, we recognize that nonideality of polymer solution in the pore is weak because the overlap volume fraction of the polymer in the pore is higher than that in th...

Reliable estimates of physical and biochemical properties of novel energetic compounds are essential before making the investment to synthesize, scale-up, and manufacture a new material for use in either military or civilian applications. Quantitative Structure-Activity Relationship (QSAR) software tools are available for predicting the physicochemical properties and environmental impacts of th...

The permeability coefficients obtained by means of an infinite dose diffusion cell system with nude mouse skin in vitro were compared to the ether-water partition coefficients of the following compounds: glucose, urea, glycerol, thiourea, alkanols (methanol to octanol), hydrocortisone and hydrocortisone 21-n-alkyl esters (-acetate to -heptanoate). The permeability coefficients ranged from 1.0 x...