Quantum chemical calculation of electron transfer at metal/polymer interfaces

Calculation of contact charging at metal/polymer interfaces were performed by a quantum chemical method (DV-Xa). In the calculation, model clusters with dangling bonds were used. The model clusters showed surface states in the density of states (DOS), the electron transfer occurred at the contact interfaces between polymer and Al. Then, 0.3 nm was a reasonable value as the contact distance in the present simulation.Contact electrifications between PTFE and six metals, such as Pt, Au, Cu, Al, Pb and Ca were simulated. The charge transferred from the metal to PTFE depended on the work function of the metals, and had a gap in range of 4.25–4.28 eV. According to the gap of metals were classified into two groups. If Fermi level of a metal is lower than the lowest unoccupied molecular orbital (LUMO) level of PTFE, the electrons of the metal transfer to the surface state (interface state). Electrons in the other metals with a higher Fermi level move into the conduction band of PTFE.     

Configuration of the micro-layer and characteristics of heat transfer in a narrow gap mini/micro-channel boiling system

Heat transfer measurements were performed in a mini/micro-channel boiling system for water, and the thickness of the micro-layer that formed between the heating surface and the generated vapor under vapor growth was measured by application of the laser extinction method for narrow gaps of 0.5, 0.3 and 0.15 mm. The process of bubble growth was recorded by using a high-speed camera simultaneously. The effects of gap size, the velocity of vapor bubble forefront and the distance from the incipient bubble site were investigated on the micro-layer thickness in a narrow gap mini/micro-channel boiling system and the configuration of the thin liquid micro-layer distributions on the heat transfer surface was clarified. Furthermore, factors that would possibly affect the mechanism and characteristics of heat transfer, such as the position of the generated vapor bubble, the velocity of the vapor forefront, the micro-layer dominant period and the liquid saturation period in the boiling cycle, and so forth, were quantitatively investigated and analyzed on the basis of the measured data. The heat transfer characteristics were analyzed and the data calculated were coincided with the measured data in the boiling curve for the gap size of 0.5 and 0.25 mm measured in the previous report. It was shown that the heat transfer was enhanced due to the micro-layer evaporation.     

Measurement and source identification of polycyclic aromatic hydrocarbons (PAHs) in the aerosol in Xi'an, China, by using automated column chromatography and applying positive matrix factorization (PMF)

In this study, we measured polycyclic aromatic hydrocarbons (PAHs) in aerosols in Xi'an, China from 2005 to 2007, by using a modified Soxhlet extraction followed by a clean-up procedure using automated column chromatography followed by HPLC/fluorescence detection. The sources of PAHs were apportioned by using the positive matrix factorization (PMF) method. The PM₁₀ concentration in winter (161.1 ± 66.4 μg m^− 3, n = 242) was 1.5 times higher than that in summer (110.9 ± 34.7 μg m^− 3, n = 248). ΣPAH concentrations, which are the sum of the concentrations of all detected PAHs, in winter (344.2 ± 149.7 ng m^− 3, n = 45) was 2.5 times higher than that in summer (136.7 ± 56.7 ng m^− 3, n = 24) in this study. These strong seasonal variations in atmospheric PAH concentration are possibly due to coal combustion for residential heating. According to the source apportionment with PMF method in this study, the major sources of PAHs in Xi'an are categorized as (1) mobile sources such as vehicle exhaust that constantly contribute to PAH pollution, and (2) stationary sources such as coal combustion that have a large contribution to PAH pollution in winter.     

Purified Canola Lutein Selectively Inhibits Specific Isoforms of Mammalian DNA Polymerases and Reduces Inflammatory Response

In the screening of DNA polymerase (pol) inhibitor, we isolated lutein, a carotenoid, from the crude (unrefined) pressed oil of canola (low erucic acid rapeseed, Brassica napus L.). Commercially prepared carotenoids such as lutein (1), zeaxanthin (2), β-cryptoxanthin (3), astaxanthin (4), canthaxanthin (5), β-carotene (6), lycopene (7), capsanthin (8), fucoxanthin (9) and fucoxanthinol (10), were investigated for the inhibitory activities of pols. Compounds 1, 2 and 8 exhibited strong inhibition of the activities of mammalian pols β and λ, which are DNA repair- and/or recombination-related pols. On the other hand, all carotenoids tested had no influence on the activity of a mammalian pol α, which is a DNA replicative pol. Lutein (1) was the strongest pol inhibitor of mammalian pols β and λ in the prepared ten carotenoids tested, but did not influence of the activities of mammalian pols α, γ, δ and ε. The tendency for pols β and λ inhibition by these carotenoids showed a positive correlation with the suppression of TPA (12-O-tetradecanoylphorbol-13-acetate)-induced inflammation. These results suggest that cold pressed unrefined canola/rapeseed oil, or other oils with high levels of lutein and other carotenoids, may be useful for their anti-inflammatory properties.     

β-Sitosteryl (6'-O-linoleoyl)-glucoside of soybean (Glycine max L.) crude extract inhibits Y-family DNA polymerases

In the screening of selective DNA polymerase (pol) inhibitors, we isolated an acylated steryl glycoside, β-sitosteryl (6'-O-linoleoyl)-glucoside (compound 1), from the waste extract of soybean (Glycine max L.) oil. This compound exhibited a marked ability to inhibit the activities of eukaryotic Y-family pols (pols η, ι and κ), which are repair-related pols. Among mammalian Y-family pols, the activity of mouse pol κ was most strongly inhibited by compound 1, with an IC(50) value of 10.2 μM. On the other hand, compound 1 had no effect on the activities of other eukaryotic pols such as A-family (pol γ), B-family (pols α, δ, and ε), or X-family (pols β, λ and terminal deoxynucleotidyl transferase) pols. In addition, compound 1 had no effect on prokaryotic pols or other DNA metabolic enzymes such as calf primase of pol α, T7 RNA polymerase, T4 polynucleotide kinase, or bovine deoxyribonuclease I. Compound 1 consists of 3 groups: β-sitosteryl (compound 2), linoleic acid (compound 3), and D-glucose (compound 4). Compound 3 inhibited the activities of all mammalian pols tested, but compounds 2 and 4 did not have any effect on the tested pols. Kinetic studies showed that the inhibition of pol κ activity by compound 1 was noncompetitive with both the DNA template-primer and nucleotide substrate, whereas compound 3-induced inhibition was competitive with the DNA template-primer and noncompetitive with the nucleotide substrate. The relationship between the structure of compound 1 and the selective inhibition of eukaryotic Y-family pols is discussed.     

Aerosol Charge Neutralization by a Mixing-Type Bipolar Charger using Corona Discharge at High Pressure

An aerosol neutralizer called the Mixing-type Bipolar Charger using Corona-Discharge at High Pressure (MBCCHP) was developed. In the MBCCHP, a corona discharge (High-Pressure Corona Ionizer; HPC Ionizer) induced by high frequency voltage (>100 Hz) at high pressure (>0.2 MPa) is used to generate bipolar ions at high concentration (1–3 × 10⁹ ions/cm³) that are then mixed with aerosol particles flowing in a charging chamber where no external electric field is present. The charging performance of the MBCCHP was evaluated by comparing the measured and theoretical number ratios of positively and negatively charged particles to the total number of particles, and by comparing those of negatively charged to positively charged particles for an equilibrium charge distribution. The theoretical and measured results agreed well in the particle size range of 5–80 nm. Particle loss in the MBCCHP for the size range of 5–100 nm was less than 15%, and particle generation from the electrode due to spattering or from the carrier gas containing SO_x due to chemical reaction was either negligible or not observed. The MBCCHP can effectively provide aerosol particles in the equilibrium charge state. Advantages include (1) no selective deposition of charged particles by an electric field, (2) no generation of new particles by reactive molecules, such as atmospheric pollution gases contained in a sample aerosol by chemical reactions with active species, such as OH radicals, produced by discharge, and (3) no effect of carrier gases of the sample aerosol on the ion properties.     

Heterogeneous nucleation and growth mechanism on hydrophilic and hydrophobic surface

Heterogeneous nucleation and nucleation period of calcium carbonate on the mica and the highly oriented pyrolytic graphite (HOPG) substrate have been investigated. Calcium carbonate was prepared by the reaction of calcium nitrate solution with sodium carbonate solution. In the reaction crystallization of calcium carbonate, calcite and vaterite were nucleated on the both substrates. We counted the number of crystalline calcium carbonate on the substrates obtained from various initial supersaturations of calcium carbonate. The number of crystals on the mica surface was much higher than on the HOPG surface. Additionally, the number of crystals on the mica was greatly affected by changing of initial supersaturation. In order to explain the difference between the mica and the HOPG surface, a possible model for the nucleation period of calcium carbonate has been discussed. The surface crystallization on the mica and the HOPG could be described by considering the supersaturation in the bulk solution and in the vicinity of substrate, separately.     

Control of magnetic domains in Co/Pd multilayered nanowires with perpendicular magnetic anisotropy

Magnetic domain wall (DW) motion induced by spin transfer torque in magnetic nanowires is of emerging technological interest for its possible applications in spintronic memory or logic devices. Co/Pd multilayered magnetic nanowires with perpendicular magnetic anisotropy were fabricated on the surfaces of Si wafers by ion-beam sputtering. The nanowires had different sized widths and pinning sites formed by an anodic oxidation method via scanning probe microscopy (SPM) with an MFM tip. The magnetic domain structure was changed by an anodic oxidation method. To discover the current-induced DW motion in the Co/Pd nanowires, we employed micromagnetic modeling based on the Landau-Lifschitz-Gilbert (LLG) equation. The split DW motions and configurations due to the edge effects of pinning site and nanowire appeared.