We have used self-assembled monolayers (SAMs) prepared from omega-terminated alkanethiols on gold to generate model surfaces and examine the effect of surface composition on the adsorption of Photosystem I (PSI), stabilized in aqueous solution by Triton X-100. Triton-stabilized PSI adsorbs to high-energy surfaces prepared from HO- and HO2C-terminated alkanethiols but does not adsorb to low-ener...

Adsorption of hydrogen molecules on platinum-doped single-walled zigzag (8,0) boron nitride (BN) nanotube is investigated using the density-functional theory. The Pt atom tends to occupy the axial bridge site of the BN tube with the highest binding energy of -0.91 eV. Upon Pt doping, several occupied and unoccupied impurity states are induced, which reduces the band gap of the pristine BN nanot...

Lung surfactant adsorption to an air-water interface is strongly inhibited by an energy barrier imposed by the competitive adsorption of albumin and other surface-active serum proteins that are present in the lung during acute respiratory distress syndrome. This reduction in surfactant adsorption results in an increased surface tension in the lung and an increase in the work of breathing. The r...

Molecular modeling as a tool in studying peptide-substrate interactions provides insight on peptide adsorption conformation, adsorption energy, and stability of the peptide-inorganic interface. This work investigates the hydration and interaction of cell-adhesion peptides, specifically RGD and YIGSR, with the hydroxyapatite surface and TiO2 surface in cluster and periodic boundary condition app...

Experiment and computer simulations were conducted in order to study the adsorption of the phthalocyanine molecules H2Pc and CuPc on the h-BN/Rh(111) nanomesh. We combine STM investigations with the exploration of the potential energy surface as resulting from density functional theory calculations. Both approaches indicate a pronounced adsorption selectivity in the so called pore regions of th...

The isothermal adsorption of nicotine from an aqueous solution onto zeolite type USY at temperature range from 298 to 322 K was investigated. It was found that the adsorption isotherms can be described by the Freundlich adsorption isotherm. The density distribution function of adsorption centers has an exponential form and the adsorption isotherms can be fitted by the Freundlich isotherm. The c...

removal of cesium from synthetic aqueous solution through adsorption on vermiculite, under batch equilibrium experimental condition at six initial values of ph (3, 4, 6, 9, 11 and 12) and five temperatures (25, 50, 75, 85 and 95 °c) has been investigated. it is necessary to propose a suitable model for a better understanding of the mechanism of cesium adsorption on vermiculite. for this propose...

the adsorption and desorption properties of sqd-85 resin for cu(ii) had been investigated. a series of experiments were conducted in a batch system to assess the effect of the system variables, i.e. initial ph, contact time and temperature. the results show that the optimal ph for the adsorption was 5.99 in the hac-naac system, and the maximum adsorption capacity was estimated to 324 mg/g at 29...

Separation of olefin/paraffin is an energy-intensive and difficult separation process in petrochemical industry. Energy-efficient adsorption process is considered as a promising alternative to the traditional cryogenic distillation for separating olefin/paraffin mixtures. In this work, we explored the feasibility of adsorptive separation of olefin/paraffin mixtures using a magnesium-based metal...

Muralidharan et al. [1] have shown that up to 8 Earth oceans of water could be associatively adsorbed on to grains in the accretion disk at 1 AU. Here we expand on that work using atomistic and electronic-level calculations to investigate dissociative adsorption, and use density functional theory to investigate the difference in D/H ratios between water on Earth and in the accretion disk. We fi...