Quantum diffusion in polaron model of poly(dG)-poly(dC) and poly(dA)-poly(dT) DNA polymers

We numerically investigate quantum diffusion of an electron in a model of poly(dG)-poly(dC) and poly(dA)-poly(dT) DNA polymers with fluctuation of the parameters due to the impact of colored noise. The randomness is introduced by fluctuations of distance between two consecutive bases along the stacked base pairs. We demonstrate that in the model the decay time of the correlation can control the spread of the electronic wavepacket. Furthermore it is shown that in a motional narrowing regime the averaging over fluctuation causes ballistic propagation of the wavepacket, and in the adiabatic regime the electronic states are affected by localization.     

First-principles energy band calculation for undoped and S-doped TiO2 with anatase structure

The electronic structure of S-doped TiO₂ with an optimized anatase structure was calculated within the framework of the density functional theory (DFT). For the calculation we built four kinds of supercells; type-A and B supercells consist of 12 and 48 atoms and a centered Ti atom is substituted for an S atom, while type-C and D supercells consist of 12 and 48 atoms and a centered O atom is substituted for an S atom. The supercells (type-B and D) were employed to adjust the S-concentration in TiO₂ to an experimental value of a few %. The changes of the lattice parameters are not significant in the type-A and B supercells. The phase transition from the tetragonal to the orthorhombic occurs in the type-C and D supercells. In the small supercell (type-A), S-related states are located in the range of −1.6 to 0 eV, and the S-states are band-like. In contrast, in the large supercell (type-B), S-related states appeared at about 0.9 eV above the top of the valence band, and the S-states are atomic-like. The localization of the S-related states is remarkable in the type-B supercell. In the type-D supercell, the S-related states were merged with the top of the valence band, and as a result the band-gap energy is narrowed by 0.7 eV. Despite a low S-concentration (3%) in the type-D supercell, the S-related states are somewhat band-like.     

Two-step nitridation of photocatalytic TiO2 films by low energy ion irradiation

Nitridation of TiO₂ films is performed by the simultaneous irradiation of low-energy N₂⁺ and H₂⁺ ions under substrate-heating condition. Spectroscopic observations of the resultant films clarify the formation of nitrogen-substituted TiO₂ (TiO_2−xN_x) with large N fractions and the agglomeration of undesirable oxynitride species attributed to the deep states in the band gap. We find that the addition of a thin TiO₂ cap layer on the ion-irradiated films improves the nitrogen bonding structure and distribution near the surfaces, leading to a good photocatalytic performance even in the visible region.     

Characterization of foreign exchange market using the threshold-dealer-model

We introduce a deterministic dealer model which implements most of the empirical laws, such as fat tails in the price change distributions, autocorrelation of price change and non-Poissonian intervals. We also clarify the causality between microscopic dealers’ dynamics and macroscopic market's empirical laws.     

Estimation of soft X‐ray and EUV transition radiation power emitted from the MIRRORCLE‐type tabletop synchrotron

The tabletop synchrotron light sources MIRRORCLE‐6X and MIRRORCLE‐20SX, operating at electron energies E_el = 6 MeV and E_el = 20 MeV, respectively, can emit powerful transition radiation (TR) in the extreme ultraviolet (EUV) and the soft X‐ray regions. To clarify the applicability of these soft X‐ray and EUV sources, the total TR power has been determined. A TR experiment was performed using a 385 nm‐thick Al foil target in MIRRORCLE‐6X. The angular distribution of the emitted power was measured using a detector assembly based on an NE102 scintillator, an optical bundle and a photomultiplier. The maximal measured total TR power for MIRRORCLE‐6X is P_max? 2.95 mW at full power operation. Introduction of an analytical expression for the lifetime of the electron beam allows calculation of the emitted TR power by a tabletop synchrotron light source. Using the above measurement result, and the theoretically determined ratio between the TR power for MIRRORCLE‐6X and MIRRORCLE‐20SX, the total TR power for MIRRORCLE‐20SX can be obtained. The one‐foil TR target thickness is optimized for the 20 MeV electron energy. P_max? 810 mW for MIRRORCLE‐20SX is obtained with a single foil of 240 nm‐thick Be target. The emitted bremsstrahlung is negligible with respect to the emitted TR for optimized TR targets. From a theoretically known TR spectrum it is concluded that MIRRORCLE‐20SX can emit 150 mW of photons with E > 500 eV, which makes it applicable as a source for performing X‐ray lithography. The average wavelength, = 13.6 nm, of the TR emission of MIRRORCLE‐20SX, with a 200 nm Al target, could provide of the order of 1 W EUV.     

Nutritional improvement of soybean oil via lipase-catalyzed interesterification

In order to decrease the content of linoleoyl moiety in soybean oil, soybean oil that contains 22.8% oleoyl, 54.8% linoleoyl, and 7.1% α-linolenoyl moieties as molar acyl moiety composition was interesterified in hexane with oleic acid or α-linolenic acid, using an immobilized sn-l,3-specific lipase (Lipozyme® IM) fromMucor miehei. The reactions were carried out in a batch reactor at 37°C in the following system: molar ratio of fatty acid to soybean oil = 1.0 ～ 6.0, 5.0 mL of hexane/500 μmol soybean oil, and 10.0 or 15.0 batch interesterification units of enzyme/500 μmol soybean oil. Under these reaction conditions, the rates of interesterification of acyl moieties in soybean oil were of the order: stearoyl > palmitoyl > linoleoyl > oleoyl > α-linolenoyl, and the reaction with oleic acid occurred without a significant loss of α-linolenoyl moiety. At the molar ratio of 3.0 and the reaction time of 6 h, triacylglycerols (TGs), which contain 50.8% oleoyl, 38.8% linoleoyl, and 5.4% α-linolenoyl moieties, were produced in the reaction with oleic acid; TGs that contain 13.5% oleoyl, 40.8% linoleoyl, and 40.4% α-linolenoyl moieties were obtained with α-linolenic acid. Approximately 86-88% of the interesterification of linoleoyl moiety, which occurred in 10 h, took place within 1 h.     

Stability of human insulin in solutions containing sodium bisulfite.

The stabilities of human insulin (HI) in aqueous solutions were investigated in the pH range of 4.0-7.0 in the presence (1.0-3.0 x 10(-3) M) and absence of sodium bisulfite (SBS) both in the dark and under scattered light (1000 lux) using high performance liquid chromatography. Increasing concentrations of SBS tended to degrade HI. In the presence of SBS, with an increase in the pH value, the stability of HI decreased in the pH range of 4.0-7.0. There was a partial difference in the stability of HI in the presence of SBS in the dark and that under scattered light. HI was stabilized by glucose in the presence of SBS in the dark, and the stability of HI was revealed to depend on the concentration of free SBS. The reason for this phenomenon was postulated to be the formation of bisulfite-glucose adduct.     

丰中子核125Sb的高自旋态

利用在束γ谱学方法,通过¹²⁴Sn(⁷Li,α2n)反应首次研究了丰中子核¹²⁵Sb的高自旋态.建立了自旋达23/2⁺、激发能至2637keV的能级纲图,其中包括21条新γ跃迁和14个新能级.在1970,2110和2471keV识别出了3个同质异能态,估计了它们的寿命范围,并建议分别具有πg_7/2ν(h_11/2s_1/2),πg_7/2ν(h_11/2d_3/2),πg_7/2ν(h²_11/2)三准粒子组态.根据价质子与¹²⁴Sn核芯激发态的耦合讨论了¹²⁵Sb的能级结构.     

Preparation of self-assembled fluorinated molecular aggregates, fluorescein nanocomposites: an extremely enhanced light absorption in nanocomposites

Self-assembled fluorinated molecular aggregates formed by fluoroalkyl end-capped N-(1,1-dimethyl-3-oxobutyl)acrylamide oligomers, N,N-dimethylacrylamide oligomers, and acrylic acid oligomers in methanol could selectively recognize fluoresceins as guest molecules to form a new class of fluorinated aggregates-fluorescein nanocomposites. These fluorinated fluorescein nanocomposites that are obtained exhibit an extraordinarily enhanced light absorption (_max ca. 440 nm) compared to that (_maxs 452, 480 nm) of the parent fluorescein in the absence of fluorinated aggregates.     

Micron-sized,monodisperse, snowman/confetti-shaped polymer particles by seeded dispersion polymerization

Snowman/confetti-shaped, micron-sized, monodisperse composite particles were prepared by seeded dispersion polymerizations of n-butyl methacrylate (nBMA) with 1.28 and 2.67 m-sized polystyrene (PS) seed particles, respectively, in an ethanol/water (80/20, w/w) medium. These nonspherical composite particles consisted of one or several poly(nBMA) protuberances on the surfaces of the spherical PS particles.Part CCLXII of the series Studies on Suspension and Emulsion