It is demonstrated that the adsorption of bovine serum albumin (BSA) to aqueous gold colloids can be quantified with molecular resolution by differential centrifugal sedimentation (DCS). This method separates colloidal particles of comparable density by mass. When proteins adsorb to the nanoparticles, both their mass and their effective density change, which strongly affects the sedimentation t...

The adsorption of simple benzene derivatives composed of a benzene ring with NO2, CH3, or NH2 functional groups on a semiconducting single-wall carbon nanotube is studied using the density-functional theory within the local-density approximation. The effects of molecular relaxation in the adsorption process are obtained, as well as the adsorption energies and equilibrium distances for several m...

In the present paper we report in detail the results of our first-principles investigations of Xe/metal adsorption systems which were briefly presented in an earlier publication. We investigate Xe adsorption on the Mg 0001 , Al 111 , Ti 0001 , Cu 111 , Pd 111 , and Pt 111 surfaces in the 3 3 R30° structure. Our calculations are based on density functional theory within the local-density approxi...

The implications arising from the distribution of offset ink components in a paper coating structure are presented. The work focuses on two mechanisms causing differential distribution of ink constituents, namely (a) adsorption chromatography, resulting from coating pigment chemistry and morphology variables, and (b) latex-oil diffusional interaction. Adsorption chromatographic fractionation an...

Graphene aerogels (GAs) with high mechanical strength, tunable density and volume have been prepared only via soaking graphene hydrogels (GHs) in ammonia solution. The density and volume of the obtained GAs are controlled by adjusting the concentration of ammonia solution. Although volume of the GAs decreases with increasing the concentration of ammonia solution, its specific surface area maint...

van der Waals (vdW) interactions between particles and surfaces are critical for the study of physical adsorption. In this work, we develop a method to calculate the leading- and higher-order coefficients, describing the dependence of vdW interaction on height above the surface. We find that the proposed method can produce the vdW coefficients for atoms on surfaces of metals and semiconductors,...

One way to determine the pH at the air/water interface with a confocal fluorescence microscope has been proposed. The relation between the pH at the air/water interface and that in a bulk solution has been formulated in connection with the adsorption equilibrium and the dissociation equilibrium of the dye adsorbed. Rhodamine B (RhB) is used as a surface-active fluorescent pH probe. The correcte...

The effects of vacuum ultraviolet (VUV) treatment on surface chemical composition morphology and albumin adsorption for low-density polyethylene (LDPE) and high-density polyethylene (HDPE) were investigated. The attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectra and contact angle measurements indicated the formation of oxygen-containing polar groups and double bonds under...

We present an embedded density functional approach to study adsorption on crystalline surfaces. Following ideas suggested by Cortona, Wesolowski, and Warshel, we divide the total system into a quantum cluster and the surrounding lattice whose density is assumed to be the same as in the ideal crystal. In this case the Kohn–Sham Hamiltonian for electrons in the cluster contains additional terms c...

We present a novel quenched solid density functional theory (QSDFT) model of adsorption on heterogeneous surfaces and porous solids, which accounts for the effects of surface roughness and microporosity. Within QSDFT, solid atoms are considered as quenched component(s) of the solid-fluid system with given density distribution(s). Solid-fluid intermolecular interactions are split into hard-spher...