Search results for "Density"
showing 10 items of 4402 documents
Irradiation of low density and high density polyethylenes in presence of carbon dioxide in subcritical and supercritical conditions
1998
Abstract The grafting of carboxylated and oxygenated functions on low density and high density polyethylenes is carried out by gamma irradiation in the presence of carbon dioxide. Both crosslinking and grafting of oxidised groups occur. The extent of these molecular modifications depends on the physical conditions of the gas phase and on the nature of the polymer matrix.
Reduction of the frequency of herbaceous roots as an effect of soil compaction induced by heavy grazing in rangelands of SW Spain
2017
Rangelands in SW Spain constitute the most extensive ranching system on the Iberian Peninsula. During the last few decades, a significant increase in livestock numbers, along with a progressive substitution of cattle for sheep, have led to land degradation processes such as the reduction of grass cover and increased soil compaction in heavily grazed areas. Nevertheless, a better understanding of how soil compaction affects grass production is still needed. In this study, some of the effects of soil compaction due to heavy grazing are analysed, mainly the reduction of the frequency of herbaceous roots and its relationships with bulk density and soil penetration resistance. The study was carr…
Effects of organoclay on morphology and properties of nanocomposites based on LDPE/PA-6 blends without and with SEBS-g-MA compatibilizer
2009
LDPE/PA-6 blends (75/25 wt/wt) were added with SEBS-g-MA (S) and/or an organoclay (20A) using different compounding sequences and the morphology and the properties of the blends or composites were investigated. An XRD study of the nanocomposites with pure polymers showed that 20A is intercalated by LDPE or PA-6 chains, whereas it is exfoliated by S if the clay concentration does not exceed 10 wt%. The SEM investigation showed that both S and 20A behave as efficient emulsifying agents for the LDPE/PA-6 blends. However, their effect on the mechanical properties was found to be opposite: S enhanced toughness but lowered the stiffness, whereas 20A improved the elastic modulus but impaired the i…
The role of the transfer group in the intramolecular [5+2] cycloadditions of substituted β-hydroxy-γ-pyrones: a DFT analysis
2005
The intramolecular [5+2] cycloaddition reactions of a series of 3-OR (R=SiMe3, H, CHO, Me) substituted β-hydroxy-γ-pyrones bearing tethered alkenes were studied using DFT methods at the B3LYP/6–31G* level. The role of the transfer R group was analyzed considering two alternative channels: (i) in channel a the process is initialized by the transfer of the R group with formation of an oxidopyrylium ylide intermediate, which is followed of an intramolecular [5+2] cycloaddition; (ii) in channel b, the process is initialized by the intramolecular [5+2] cycloaddition on the γ-pyrone followed by the transfer of the R group. Copyright © 2005 John Wiley & Sons, Ltd.
Gold(iii) tetraarylporphyrin amino acid derivatives: ligand or metal centred redox chemistry?
2015
EPR spectroscopy and DFT calculations show that the site of reduction of porphyrinato gold(iii) complexes depends on the counterions X, the meso substituents R and the solvent.
Conformation of tert-butoxycarbonylglycyl-dehydroalanyl-glycine methyl ester in the crystalline state and calculated in the gas phase.
2006
tert-Butoxycarbonylglycyl-dehydroalanyl-glycine methyl ester (systematic name: methyl {2-[(tert-butoxycarbonylamino)acetamido]prop-2-enamido}acetate) (Boc0-Gly1-ΔAla2-Gly3-OMe), C13H21N3O6, has been structurally characterized by single-crystal X-ray diffraction and by density functional theory (DFT) calculations at the B3LYP/6–311+G** level. The peptide chain in both the solid-state and calculated structures adopts neither β nor γ turns. All amino acid residues in the tripeptide sequence are linked trans to each other. The bond lengths and valence angles of the amino acid units in the crystal structure and gas phase are comparable. However, the conformation of the third glycyl residue (…
Unsaturated fatty acid bioavailability in growing rats fed low or adequate protein diets with sunflower or soybean oils
1993
Abstract The relationship of serum very low density lipoproteins (VLDL) to hepatic lipid composition was studied after 28 days of protein depletion to determine the interactions between dietary protein levels and the essential fatty acid (EFA) availability. This was examined in rats using a dietary combination of 20% or 2% casein with 5% vegetable oils, variable in their n-6:n-3 fatty acid ratios. Rats were divided into four groups, SFC (20% casein + 5% sunflower oil ); SFd (2% casein + 5% sunflower oil ); SC (20% casein + 5% soybean oil ); Sd (2% casein + 5% soybean oil ). Dietary protein depletion decreased phospholipid and protein concentrations in liver and VLDL, whereas triacylglycerol…
Polymers, Ferroelectric Liquid Crystalline Elastomers
2002
Ferroelectric materials are a subclass of pyro- and piezoelectric materials. They are very rarely found in crystalline organic or polymeric materials because ferroelectric hysteresis requires enough molecular mobility to reorient molecular dipoles in space. So semicrystalline polyvinylidene fluoride (PVDF) is nearly the only known compound. On the contrary, ferroelectric behavior is very often observed in chiral liquid crystalline materials, both low molar mass and polymeric. Ferroelectric LC-elastomers represent an interesting class of material because they combine the ordering of liquid crystalline ferroelectric phases and the rubber elasticity of polymer networks. Switching of the electr…
Stereoelectronic properties ofN-acetyl-α,β-dehydroamino acidN′-methylamides
1998
α,β-Dehydroamino acids are useful peptide modifiers. However, their stereoelectronic properties still remain insufficiently recognized. Based on FTIR experiments in the range ofvs(N-H), AI, AII andvs(Cα=Cβ) and ab initio calculations with B3LYP/6–31G*, we studied the solution conformational preferences and the amide electron density perturbation of Ac-ΔXaa-NHMe, where ΔXaa=ΔAla, (E)-ΔAbu, (Z)-ΔAbu, (Z)-ΔLeu, (Z)-ΔPhe and ΔVal. Each of these dehydroamides adopts a C5 structure, which in Ac-ΔAla-NHMe is fully extended and accompanied by the strong C5 hydrogen bond. Interaction with bond Cα=Cβ lessens the amidic resonance within the flanking amide groups. TheN-terminal C=O bond is noticeably s…
Advanced descriptors for long-range noncovalent interactions between SARS-CoV-2 spikes and polymer surfaces.
2021
The recent pandemic triggered numerous societal efforts aimed to control and limit the spread of SARS-CoV-2. One of these aspects is related on how the virion interacts with inanimate surfaces, which might be the source of secondary infection. Although recent works address the adsorption of the spike protein on surfaces, there is no information concerning the long-range interactions between spike and surfaces, experimented by the virion when is dispersed in the droplet before its possible adsorption. Some descriptors, namely the interaction potentials per single protein and global potentials, were calculated in this work. These descriptors, evaluated for the closed and open states of the sp…