Design of one-dimensional ferromagnet based on polyacetylene chain

As a model for organic ferromagnetism in a one-dimensional system, substituted polyacetylenes are re-considered on the basis of the molecular orbital (MO) and the crystal orbital (CO) methods. The semiempirical MO calculations with configuration interaction for the dimer model show that the exchange interaction on poly[(4-oxyphenyl)acetylene] (1) is negative in spite of Ovchinnikov's prediction, due to the direct interaction between the adjacent pendant spins. On the other hand, it is shown that a polyacetylene chain with phenoxy radicals as pendants on every other active site can become a one-dimensional feromagnet. Moreover, the CO calculations by means of the unrestricted Hartree-Fock method give a theoretical background for the realization of a ground state with macroscopic spin alignment on the improved model chain.     

Space charge in polyethylene/ionomer blends

Measurements of thermally stimulated currents were made on ionomer/polyethylene blends. The objective of this work was to study space charge formation in these materials. Two ionomers were compared; both ionomers contained methacrylic acid, neutralized by zinc in one and by sodium in the other. A large current peak centered near 60°C was observed in all blends and associated with the motion of space charges injected into the blends during poling. All blends accumulated large negative space charge concentrations. The approach to the equilibrium space charge distribution (negative and spatially uniform in all blends) is much more rapid in the blends containing the sodium ionomer than in the blends containing the zinc ionomer     

Hinokitiol induces differentiation of teratocarcinoma F9 cells

Hinokitiol, a constituent of the wood of Chamaecyparis taiwanensis, was found to induce differentiation of teratocarcinoma F9 cells. When examined by the agar-overlay method, in which expression of plasminogen activator as a differentiation marker protein was detected, this compound exhibited a dose- and time-dependent induction. Induction of differentiation by hinokitiol occurred irreversibly and required its addition for more than 12h. Among its structure-related compounds tested, tropolone and two colchicine-related compounds exerted potent activities comparable to that of hinokitiol. These findings indicate that free tropolone structure in the molecules plays an essential role in inducing differentiation of F9 cells. Hinokitiol showed a strong inhibitory effect of DNA synthesis in very early stages of culture, suggesting that this effect may be responsible for triggering differentiation of F9 cells.     

The As-prepared surfaces of C-axis-oriented Nd1Ba2Cu3Oy thin films characterized using scanning probe microscopes

Recently, superconducting Nd₁Ba₂Cu₃O_y (Ndl23) thin films with high superconducting transition temperature (T _c) have been successfully fabricated at our institute employing the standard laser ablation method. In this paper, we report the results of surface characterization of the Nd123 thin films using an ultrahigh vacuum scanning tunneling microscope/spectroscopy (UHV-STM/STS) and an atomic force microscope (AFM) system operated in air. Clear spiral pattern is observed on the surfaces of Nd123 thin films by STM and AFM, suggesting that films are formed by two-dimensional island growth mode. Contour plots of the spirals show that the step heights of the spirals are not always the integer or half-integer number of thec-axis parameter of the structure. This implies that the surface natural termination layer of the films may not be unique. This result is supported byI-V STS measurements. The surface morphology of the Nd123 thin films is compared with that of thec-axis-oriented Y₁Ba₂Cu₃S_y thin films. Surface atomic images of the as-prepared Nd123 thin films are obtained employing both STM and AFM. STS measurements show that most of the surfaces are semiconductive. The results of STS measurements together with the fact that we are able to see the surface atomic images using scanning probe microscopes suggest that exposure to air does not cause serious degradation to the as-prepared surfaces of Nd123 thin films.     

ON THE IMPACT FATIGUE CRACK GROWTH BEHAVIOUR OF METALLIC MATERIALS

The impact fatigue crack growth characteristics of a low carbon steel and an aluminium alloy were studied. An impact fatigue testing machine of the Hopkinson bar type was used in these experiments to conduct a series of crack growth tests under simple impact stresses. The following characteristics of impact fatigue crack growth behaviour were revealed: (1) crack growth rate is higher in impact fatigue than in non-impact fatigue; (2) crack opening ratio in impact fatigue takes a higher value than in non-impact fatigue; (3) crack tip plastic zone size is smaller in impact fatigue than in non-impact fatigue.     

Non-linear current–voltage characteristics related to native defects in SrTiO3 and ZnO bicrystals

SrTiO₃ and ZnO bicrystals with various types of boundaries were fabricated in order to examine their current–voltage characteristics across single grain boundaries. Their grain boundary structures were also investigated by high-resolution transmission electron microscopy. In Nb-doped SrTiO₃, electron transport behaviors depend on the type of boundaries. Random type boundaries exhibit highly non-linear current–voltage characteristics, while low angle boundaries show a slight non-linearity. On the contrary, undoped ZnO does not exhibit non-linear current–voltage characteristics in any type of boundaries including random ones. It is suggested that the differences observed in current–voltage properties between the two systems are mainly due to the difference in the accumulation behavior of acceptor-like native defects at grain boundaries. A clear non-linearity is obtained by means of Co-doping even for the highly coherent Σ1 boundary in a ZnO bicrystal. This is considered to result from the production of acceptor-like native defects by Co-doping.     

Molecular Dynamics Simulation of Structural Relaxation of Asphaltene Aggregates

For asphaltene obtained from vacuum residue of Khafji crude oil, the energy-minimum conformation calculated by molecular mechanics-dynamics simulations showed that aggregated structures of asphaltene molecules through noncovalent interactions are more stable. Changes induced in aggregated structures by pretreatment with solvents were investigated using molecular dynamics calculations. The simulation showed that in quinolin at 573 K, some staking interactions could be disrupted, while, in 1-methylnaphthalene it was not observed. Autoclave experiments showed that the coke yield after pyrolysis at 713 K was decreased when the asphaltene was pretreated with quinoline at 573 K for 1 h, compared to the yield without the pretreatment. While, in the case of pretreatment in 1-methylnaphthalene, the coke yield did not change significantly. The simulation's results above can be related to the difference in coke yield between two solvents; in quinoline some aromatic-aromatic stacking interactions could be disrupted and mobility of molecules was increased. This resulted in prevention of the asphaltenes from polymerizing, as in condensation reactions among aromatic rings. Consequently, the coke yield after the pretreatment with quinoline was decreased.     

Properties of Quaternary Alloy Magnetic Semiconductor (InGaMn)As Grown on InP

We have studied properties of quaternary alloy magnetic semiconductor (InGaMn)As grown on InP substrates by low-temperature molecular-beam epitaxy (LT-MBE). A large MCD peak whose intensity is larger than 500 mdeg for (InGaMn)As was observed. This peak intensity was about three times larger than that of typical (GaMn)As films. Relatively high Curie temperature of 83 K of [(In_0.53Ga_0.47)_0.88Mn_0.12]As was observed by Hall measurements. The carrier concentration of [(In_0.53Ga_0.47)_0.88Mn_0.12]As was estimated to be more than 1.0 × 10²¹ cm^–3 by using the Curie–Weiss fitting of the Hall coefficient R _H, indicating that more than 40% of Mn atoms are activated. This means that (InGaMn)As has a higher activation ratio of Mn as acceptors than (GaMn)As.     

New approach to environmentally benign epoxidation: the solid-phase-system using urea–H2O2 and recyclable dodecatungstate on apatite

On the basis of new concept using a solid disperse phase we have developed an efficient catalytic solid-phase-system for epoxidations of alkenes using urea–hydrogen peroxide (urea–H₂O₂) complex and cetylpyridinium dodecatungstate ((CetylPy)₁₀[H₂W₁₂O₄₂]) catalyst on fluorapatite (FAp). The recovered solid catalyst phase was reused to keep the catalytic activity after several times. In the conceptual idea it is a key point that in situ solid-phase-activation of the catalyst with urea–H₂O₂ proceeds to form microcrystals of the active species dispersed on the solid phase. The dispersion of the catalyst on FAp in the case of tungstic acid (H₂WO₄) was suggested by EPMA analysis. We proposed the peroxo type of species keeping the parent polyoxometalate framework as novel active species from FT-IR spectroscopic studies. FAp phase plays important roles of dispersing the active species on its surface to have high catalytic activity and of stabilizing the active species to lead to high reusability.