Dielectric investigation of the molecular dynamics of blends (II): polymers with dissimilar molecular architecture (PS/TMPC blend)

The molecular dynamics of polystyrene/tetramethyl polycarbonate (PS/TMPC) blends were investigated using dielectric spectroscopy in the frequency and temperature ranges 10^?2?10⁷ Hz and 50–220°C, respectively. Blends with different compositions, namely 12.5, 25, 50, 75 and 87.5 wt% PS/TMPC were found to be compatible over the entire composition range and showed one glass relaxation process corresponding with the transition observed by calorimetric measurements. It was found that neither the kinetics or the distribution of relaxation times of the local process observed in pure TMPC were affected by blending. This fact implies that the local environment of the segments is not changed upon blending. Furthermore, these blends showed that the blending of TMPC with weakly polar polystyrene does not cause any change in the dipolar interaction of the TMPC segments, so that the relaxation strength varies linearly with composition. It is concluded that the polymeric chains of the TMPC and PS are not mixed at a segmental level, but at a higher structural level lying somewhere between segmental and molecular. This conclusion is in good agreement with that obtained in the case of blends composed of polymers with similar molecular architecture.     

Productivity through computer management of a fully automated transportation system

The Morgantown Personal Rapid Transit System is a fully automated, collection and distribution, origin to destination, non-stop transportation system. The system consists of a feet of 73 electrically powered, rubber tired, passenger carrying vehicles, operating on a dedicated guideway network at 15 second headways. The system provides a safe, comfortable non-polluting, reliable means of public transportation between the Central Business District of Morgantown, West Virginia, and the three separated campuses of West Virginia University.

This paper will address the unique application of computers in operating a public transit system which is considered the first of its kind anywhere in the world.     

The Tail Effect of Some Prepared Cationic Surfactants on Silver Nanoparticle Preparation and Their Surface,Thermodynamic Parameters,and Antimicrobial Activity

The surface parameters of some cationic surfactants having different hydrophobic alkyl chains were assessed in aqueous solution using different techniques; surface tension, ultraviolet-Visible (UV–Vis) spectroscopy, and conductivity measurements. The obtained critical micelle concentration (CMC) for N-(2-((3,4-dimethoxybenzylidene)amino)ethyl)-N,N-dimethyloctan-1-aminium bromide (DBAO), N-(2-((3,4-dimethoxybenzylidene)amino)ethyl)-N,N-dimethyldodectan-1-aminium bromide (DBAD), and N-(2-((3,4-dimethoxybenzylidene)amino)ethyl)-N,N-dimethylhexadectan-1-aminium bromide (DBAH) in aqueous solution using three techniques are nearly the same. Increasing the hydrophobic chain length enhances micelle formation. Raising the solution temperature from 25 to 65 °C also shows the same trend. The thermodynamic calculations outlined the adsorption propensity of the surfactants at the surface compared to their affinity to form micelles. Both micellization and adsorption processes are enhanced with both the hydrocarbon elongation and with raising the solution temperature. The effect of the surfactant tail on the preparation process of the silver nanoparticles (AgNP) was assessed and confirmed using transmission electron microscope (TEM), dynamic light scattering (DLS), and UV–Vis spectra. Increasing the surfactant tail leads to a smaller particle size with a narrow distribution. The stability of the prepared AgNP is enhanced with hydrophobic surfactant tail elongation as proved with increasing the zeta-potential of the prepared AgNP colloid. The foaming power, interfacial tension, and emulsification stability of the DBAO, DBAD, and DBAH surfactants were determined. The DBAO, DBAD, and DBAH surfactants showed good antimicrobial activities against both bacteria (Gram positive and negative) and fungi, which have been enhanced because of incorporation of AgNP.     

Small-Molecule Inhibition of the uPAR ⋅ uPA Interaction by Conformational Selection

The urokinase receptor (uPAR) is a cell surface receptor that binds to the serine protease urokinase-type plasminogen activator (uPA) with high affinity. This interaction is beneficial for extravascular fibrin clearance, but it has also been associated with a broad range of pathological conditions including cancer, atherosclerosis, and kidney disease. Here, starting with a small molecule that we previously discovered by virtual screening and cheminformatics analysis, we design and synthesize several derivatives that were tested for binding and inhibition of the uPAR ⋅ uPA interaction. To confirm the binding site and establish a binding mode of the compounds, we carried out biophysical studies using uPAR mutants, among them uPAR^H47C−N259C, a mutant previously developed to mimic the structure of uPA-bound uPAR. Remarkably, a substantial increase in potency is observed for inhibition of uPAR^H47C−N259C binding to uPA compared to wild-type uPAR, consistent with our use of the structure of uPAR in its uPA-bound state to design small-molecule uPAR ⋅ uPA antagonists. Combined with the biophysical studies, molecular docking followed by extensive explicit-solvent molecular dynamics simulations and MM-GBSA free energy calculations yielded the most favorable binding pose of the compound. Collectively, these results suggest that potent inhibition of uPAR binding to uPA with small molecules will likely only be achieved by developing small molecules that exhibit high-affinity to solution apo structures of uPAR, rather than uPA-bound structures of the receptor.     

Anisotropy Effects in the Shape-Memory Performance of Polymer Foams

Isotropic and anisotropic shape-memory polymer foams are prepared by supercritical carbon dioxide foaming from a multiblock copolymer (PDLCL) consisting of poly(ω-pentadecalactone) and poly(ε-caprolactone) segments. Analysis by micro-computed tomography reveals for the anisotropic PDLCL foam cells a high shape anisotropy ratio of R = 1.72 ± 0.62 with a corresponding Young's compression moduli ratio between longitudinal and transversal direction of 4.3. The experimental compression data in the linear elastic range can be well described by the anisotropic open foam model of Gibson and Ashby. A micro-morphological analysis for single pores using scanning electron microscopy images permits the correlation between the macroscopic stress-compression behavior and microscale structural changes.     

Novel Gemini Cationic Surfactants: Thermodynamic,Antimicrobial Susceptibility,and Corrosion Inhibition Behavior against Acidithiobacillus ferrooxidans

The Egyptian oil and gas industry is suffering from severe metal corrosion problems, particularly microbial-induced corrosion. There is limited knowledge on the corrosion inhibition of carbon steels in the presence of an acidophilic, iron-oxidizing bacterial species Acidithiobacillus ferrooxidans. Therefore, in this study, novel Gemini cationic surfactants, in three forms depending on variation in alkyl chains of 8, 12, and 16 carbon atoms named FHPAO, FHPAD, and FHPAH, respectively, were synthesized and characterized by Fourier transform infrared and nuclear magnetic resonance spectroscopy. The surface parameters and the thermodynamic of the synthesized surfactants were evaluated at three different temperatures, 20, 40, and 60 °C. The synthesized Gemini cationic surfactants were tested as broad-spectrum antimicrobial, antibacterial and anticandida agents. They evaluated as biocides and corrosion inhibitors against Acidithiobacillus ferrooxidans. FHPAD showed higher adsorption ability at the solution interface and higher affinity to construct micelles than FHPAO and FHPAH. Both adsorption and micellization processes were hydrophobic and temperature dependent. FHPAO, FHPAD and FHPAH exhibited wide-spectrum antimicrobial activities, and the highest activity and the lowest minimum bactericidal/fungicidal inhibitory concentrations were attributed to FHPAD. Furthermore, synthesized FHPAD demonstrated the highest metal corrosion inhibition efficiency of 95.5% at 5 mM in comparison to 87.5% and 81.7% for FHPAO and FHPAH, respectively. In conclusion, this study provides novel synthesized cationic surfactants with many applications in the oil and gas industry, such as broad-spectrum antimicrobial, biocides, and corrosion inhibitors for acidophilic, iron-oxidizing bacterial species Acidithiobacillus ferrooxidans.     

Amyloid Fibrils Aerogel for Sustainable Removal of Organic Contaminants from Water

Water contamination by organic pollutants is ubiquitous and hence a global concern due to detrimental effects on the environment and human health. Here, it is demonstrated that amyloid fibrils aerogels are ideal adsorbers for removing organic pollutants from water. To this end, amyloid fibrils prepared from β‑lactoglobulin, the major constituent of milk whey protein, are used as building blocks for the fabrication of the aerogels. The adsorption of Bentazone, Bisphenol A, and Ibuprofen, as model pollutants, is evaluated under quasi-static conditions, without use of energy or pressure. Through adsorption by amyloid fibrils aerogel, excellent removal efficiencies of 92%, 78%, and 98% are demonstrated for Bentazone, Bisphenol A, and Ibuprofen, respectively. Furthermore, the maximum adsorption capacity of amyloid fibrils aerogel for Bentazone, Bisphenol A, and Ibuprofen is 54.2, 50.6, and 69.6 mg g⁻¹, respectively. To shed light on the adsorption equilibrium process, adsorption isotherms, binding constants, saturation limits, and the effect of pH are evaluated. Finally, the regeneration of the aerogel over three consecutive cycles is studied, exhibiting high reusability with no significant changes in its removal performance. These results point at amyloid fibrils aerogels as a sustainable, efficient, and inexpensive technology for alleviating the ubiquitous water contamination by organic pollutants.     

Encoding Information on the Excited State of a Molecular Spin Chain

The quantum states of nano-objects can drive electrical transport properties across lateral and local-probe junctions. This raises the prospect, in a solid-state device, of electrically encoding information at the quantum level using spin-flip excitations between electron spins. However, this electronic state has no defined magnetic orientation and is short-lived. Using a novel vertical nanojunction process, these limitations are overcome and this steady-state capability is experimentally demonstrated in solid-state spintronic devices. The excited quantum state of a spin chain formed by Co phthalocyanine molecules coupled to a ferromagnetic electrode constitutes a distinct magnetic unit endowed with a coercive field. This generates a specific steady-state magnetoresistance trace that is tied to the spin-flip conductance channel, and is opposite in sign to the ground state magnetoresistance term, as expected from spin excitation transition rules. The experimental 5.9 meV thermal energy barrier between the ground and excited spin states is confirmed by density functional theory, in line with macrospin phenomenological modeling of magnetotransport results. This low-voltage control over a spin chain's quantum state and spintronic contribution lay a path for transmitting spin wave-encoded information across molecular layers in devices. It should also stimulate quantum prospects for the antiferromagnetic spintronics and oxides electronics communities.     

Heat transfer and fluid flow of nanofluids in laminar radial flow cooling systems

Nanofluids are considered as interesting alternatives to conventional coolants. It is well known that traditional fluids have limited heat transfer capabilities when compared to common metals. It is therefore quite conceivable that a small amount of extremely fine metallic particles placed in suspension in traditional fluids will considerably increase their heat transfer performances. A numerical investigation into the heat transfer enhancement capabilities of coolants with suspended metallic nanoparticles inside a radial, laminar flow cooling configuration is presented. Temperature dependant nanofluid properties are evaluated from experimental data available in recent literature. Results indicate that considerable heat transfer increases are possible with the use of relatively small volume fractions of nanoparticles. Generally, however, these are accompanied by considerable increases in wall shear-stress. Results also show that predictions obtained with temperature variable nanofluid properties yield greater heat transfer capabilities and lower wall shear stresses when compared to predictions using constant properties.