We have developed a united atom force field able to accurately describe the adsorption properties of linear alkanes in the sodium form of FAU-type zeolites. This force field successfully reproduces experimental adsorption properties of n-alkanes over a wide range of sodium cation densities, temperatures, and pressures. The force field reproduces the sodium positions in dehydrated FAU-type zeoli...

Although Archaea inhabit the human body and possess some characteristics of pathogens, there is a notable lack of pathogenic archaeal species identified to date. We hypothesize that the scarcity of disease-causing Archaea is due, in part, to mutually-exclusive phage and virus populations infecting Bacteria and Archaea, coupled with an association of bacterial virulence factors with phages or mo...

The interaction of guest Pt(II) ions with UiO-66-X (X = NH2, H, NO2, OMe, F) series metal-organic frameworks (MOFs) in aqueous solution was investigated using in situ X-ray absorption spectroscopy. All of these MOFs were found to be able to coordinate with Pt(II) ions. The Pt(II) ions in UiO-66-X MOFs generally coordinate with 1.6-2.4 Cl and 1.4-2.4 N or O atoms. We also studied the time evolut...

The interaction of factor Va with phospholipid monolayers was studied using alternating current polarography. For these studies a hanging mercury drop electrode is positioned in contact with the monolayer at the air-monolayer interface. Factor Va introduced into the aqueous subphase beneath the monolayer caused alterations in the capacitance of the circuit. When factor Va was introduced beneath...

In most flow systems, the rate of protein transfer from bulk solution to a macroscopic surface is site-dependent. In studies on surface-mediated protein conversion, this hampers the comparison of a proposed expression for the conversion process, such as the Michaelis-Menten equation, which actually measured overall conversion rates. However, the rotating disc is a classical example of a uniform...

The kinetics of protein adsorption/desorption onto peptide microarrays was studied using real-time surface plasmon resonance (SPR) imaging. S protein binding interactions were examined using an array composed of five different peptides: N terminal and C terminal immobilized wild-type S peptide (S1 and S2), an alternate binding sequence derived by phage display (LB2), an NVOC-protected S peptide...

We have performed equilibrium and nonequilibrium molecular dynamics simulations to study how microwave (MW)-heated zeolite systems relax to thermal equilibrium. We have simulated the relaxation of both ionic and dipolar phases in FAU-type zeolites, finding biexponential relaxation in all cases studied. Fast-decay times were uniformly below 1 ps, while slow-decay times were found to be as long a...

-The use of powdered activated carbon treatment (PACT), based on simultaneous adsorption and biodegradation, is effective for treating organic toxic pollutants, present in industrial wastewaters. Removal of phenol and aniline from aqueous solutions by biological treatment alone, by adsorption on powdered activated carbon (PAC) alone and by simultaneous adsorption and biodegradation were compare...

almcm-41 was applied for adsorption of methylene blue (mb) and auramine (au) in single and binary component systems. in the single component systems, almcm-41 represents higher adsorption capacity for mb than au with the maximal adsorption capacity of 2.07×10−4 and 1.15×10−4 mol/g at 25 ˚c for mb and au, respectively. in the binary component system, mb and au exhibit competitive adsorption onto...

The solid-water distribution ratios (Kd values) of "native" PAHs, PCBs, and PCDDs in Boston and New York Harbor sediments were determined using small passive polyethylene samplers incubated for extended times in sediment-water suspensions. Observed solid-water distribution coefficients exceeded the corresponding f(oc)Koc products by 1-2 orders of magnitude. It was hypothesized that black carbon...