Search results for " density"
showing 10 items of 2709 documents
Can Experimental Electron-Density Studies be Used as a Tool to Predict Biologically Relevant Properties of Low-Molecular Weight Enzyme Ligands?
2013
The case of protease inhibitor model compounds incorporating an aziridine or epoxide ring is used to exemplify how application of experimental electron-density techniques can be used to explain the biological properties of low-molecular weight enzyme ligands. This is furthermore seen in the light of a comparison of crystal and enzyme environments employing QM/MM computations to elucidate to which extent the properties in the crystal can be used to predict behavior in the biological surrounding.
Salt concentration and particle density dependence of electrophoretic mobilities of spherical colloids in aqueous suspension.
2007
Using laser Doppler velocimetry in the superheterodyne mode, we conducted a systematic study of the electrophoretic mobility of dispersions of small silica spheres (a=18 nm) suspended in water at different salinities and particle concentrations. The concentration of NaCl was varied from 40 microM up to 16 mM, while the particle concentrations were varied between 4.2x10(18) and 2.1x10(20) m-3. We find a decrease of mobility with increasing salt concentrations and an increase with increased particle number densities. The latter observation is not backed by the standard cell model of electrophoresis with Shilov-Zharkikh boundary conditions. Rather, if the experimental data are interpreted with…
Tailoring the anionic function and the side chains of comb-like superplasticizers to improve their adsorption
2015
Nowadays admixtures and especially superplasticizers are unavoidable components of the concrete formulation. The high fluidizing efficiency of the comb-like superplasticizers must not overshadow their high costs. This study aims to determine the PCE structure parameters which influence their adsorption in order to enhance their resistance to sulfate competitive adsorption and thus minimize their dosage. The PCE adsorption has been studied on calcite and ettringite which are both surfaces representative of early hydrating cement. The effect of the POE side chain length and density and also of the PCE anionic function i.e. carboxylate, dicarboxylate or phosphate on the adsorption has been ana…
Triboelectrification of nanocomposites using identical polymer matrixes with different concentrations of nanoparticle fillers
2021
In this study, we investigate triboelectrification in polymer-based nanocomposites using identical polymer matrixes containing different concentrations of nanoparticles (NPs). The triboelectric surface charge density on polymer layers increased as the difference in nanoparticle filler concentration between the two triboelectric layers escalated, despite the fact that the polymer matrix was the same in both layers. This effect was observed in tests of various polymer types and filler NPs. Our mechanical experiments and finite element analysis simulations confirmed that polymeric triboelectrification is related to the surface viscoelastic deformation that occurs during mechanical contact and …
Effects of soil compaction, rain exposure and their interaction on soil carbon dioxide emission
2012
Soils release more carbon, primarily as carbon dioxide (CO2), per annum than current global anthropogenic emissions. Soils emit CO2 through mineralization and decomposition of organic matter and respiration of roots and soil organisms. Given this, the evaluation of the effects of abiotic factors on microbial activity is of major importance when considering the mitigation of greenhouse gases emissions. Previous studies demonstrate that soil CO2 emission is significantly affected by temperature and soil water content. A limited number of studies have illustrated the importance of bulk density and soil surface characteristics as a result of exposure to rain on CO2 emission, however, none exami…
Fecal pellets from a dense aggregation of suspension-feeders in a stream: An example of ecosystem engineering
1998
Blackfly larvae (Diptera: Simuliidae) are "allogenic ecosystem engineers" that capture fine particulate and dissolved matter from suspension and egest much larger fecal pellets. We investigated the effects of blackfly larvae on organic matter transport at 25 sites along a small stream that flowed 500 m from a lake to the sea. Blackfly density was high upstream (>6 x 10(5) ind. m(-2)) and the numbers of fecal pellets in suspension rose markedly downstream from the blackfly aggregation. A total of 1.6 x 10(9) fecal pellets (biomass 3.2 kg C d(-1)) were discharged to the sea each day and 8.0 x 10(8) pellets (biomass 1.6 kg C d(-1)) were lost from suspension. Sedimenting pellets were available …
Comparison of spin density calculation methods for various alkyl-substituted 9,10-anthraquinone anion radicals in the solution phase
1996
EPR and ENDOR spectra were recorded for 2-methyl-9,10-anthraquinone (2-methylAQ), 2-ethylAQ, 2-tertbutylAQ and 2,3-dimethylAQ anion radicals in the solution phase. The EPR spectra were simulated with the help of ENDOR data. The experimental isotropic hyperfine coupling constants (IHFCs) were compared with calculated values from semi-empirical INDO, spin-restricted AM1/CI and B3PW91 density-functional methods. The best computational methods for the IHFCs were the semi-empirical AM1/CI method and the B3PW91 density-functional method with a large basis set.
UV optical record and electron beam lithography in polymer films
2012
Possibility of UV optical record and electron beam lithography in different type of organic polymer films was studied. Mechanisms of molecular structure changes: photoisomerization, destruction, cross-linking and oxidation have been discussed. The results of UV illumination of polyurethanes, polyacrilates, and some block-copolymers are described. The element analysis of polyisoprene block copolymer was performed before and after UV illumination, and the changes in transmission spectra of the polymer film were measured. The resolution of electron beam lithography on polymer films was studied. In the polyisoprene block copolymer film the oxidation polymerization was ascertain at UV-illuminati…
Effect of physical aging on the low-frequency vibrational density of states of a glassy polymer
2003
The effects of the physical aging on the vibrational density of states (VDOS) of a polymeric glass is studied. The VDOS of a poly(methyl methacrylate) glass at low-energy (<15 meV), was determined from inelastic neutron scattering at low-temperature for two different physical thermodynamical states. One sample was annealed during a long time at temperature lower than Tg, and another was quenched from a temperature higher than Tg. It was found that the VDOS around the boson peak, relatively to the one at higher energy, decreases with the annealing at lower temperature than Tg, i.e., with the physical aging.
Photoresponsive Ferroelectric Liquid-Crystalline Polymers
2007
The photoresponse of ferroelectric smectic side-chain liquid-crystalline (LC) polymers containing a photoisomerizable azobenzene derivative as a covalently linked photochromic side group is investigated. By static measurements in different photostationary states, the effect of trans-cis isomerization on the material's phase-transition temperatures and its ferroelectric properties (spontaneous electric polarization Ps and director tilt angle 0) are analyzed. It turns out that the Curie temperature (transition S C * to S A ) can be reversibly shifted by up to 17 °C. The molecular mechanism of this "photoferroelectric effect" is studied in detail using time-resolved measurements of the dye's o…