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A procedure of analysis for small-angle X-ray scattering (SAXS) data has been established to obtain density fluctuation of supercritical fluids near the critical point. It is indispensable for the certain analysis to utilize both of high-quality SAXS data measured under stable thermodynamic condition and accurate P–ρ–T data in supercritical region. As a standard example, SAXS measurements have been performed for supercritical CO2, which is a suitable sample satisfying the condition for both experiment and analysis. The measurements were carried out along four isothermal conditions at reduced temperature of Tr = T/Tc = 1.020, 1.022, 1.043 and 1.064. Comparing the experimental density fluctuation with calculated one from the most reliable equation of state, the differences are within 8% at most. 相似文献
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Several beta-secretase inhibitors were designed based on hydroxyethylamine dipeptide isostere (HDI) structures and were synthesized by a methodology using the aza-Payne rearragement and O,N-acyl transfer reactions to study their structure-activity relationships. Among these pseudopeptides, effective compounds were developed as the first beta-secretase inhibitors containing the HDI transition state mimic with potent enzyme inhibitory activity (IC50 < 100 nM). 相似文献
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Ken Kitano Ryo Sasaki Terukazu Nogi Takaaki A. Fukami Atsushi Nakagawa Kunio Miki Isao Tanaka 《Journal of Crystal Growth》2000,210(4):819-823
Protein crystallization experiments under microgravity were performed by using commercial vapor diffusion apparatus (CVDA) hardware on the STS-84 shuttle mission. Chaperonin-60, GrpE, the B subunit of V-type ATPase, and the selenomethionine substituted proteins of macrophage migration inhibitory factor (MIF) were selected as target proteins. The results indicate that microgravity positively affected their crystal growth, supporting the practical utilization of microgravity for the protein structure determination. 相似文献
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Terukazu Nishizaki Yoshihiko Takano Tomohiro Takenouchi Norio Kobayashi 《Journal of Physics and Chemistry of Solids》2008,69(12):3027-3030
We have performed scanning tunneling microscopy/spectroscopy (STM/STS) experiments on (1 1 1)-oriented epitaxial films of heavily boron-doped diamond (Tc∼5.4 K). We present that tunneling conductance spectra show temperature-dependent spatial variations. In the low-temperature region (T=0.47 K), the tunneling spectra do not show strong spatial dependence and a superconducting energy gap is observed independent of the surface morphology. In the high-temperature region (T=4.2 K), on the other hand, the tunneling conductance spectra show significant spatial dependence, indicating the inhomogeneous distribution of the superconducting property due to the distribution of boron atoms. 相似文献
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Conformational energies for the butyl group of 1-butyl-3-methylimidazolium (bmim) were calculated by high-level ab initio methods. Estimated relative energies for the TT, GT and G'T rotamers of an isolated bmim cation at the CCSD(T)/cc-pVTZ level are 0.0 -0.02 and -0.50 kcal/mol, respectively. The close contact of a Cl anion to theC(2)-H of imidazolium considerably increases the relative stability of the GT rotamer. Estimated relative energies for the three rotamers of the [bmim]Cl complex, in which the Cl anion exists close to the C(2)-H, are 0.0, -1.61 and -0.25 kcal/mol, respectively. The GT rotamer is favored by the strong attractive electrostatic interaction between the bmim cation and Cl anion. The C(2)-H group in the GT rotamer has a larger positive charge compared with those in the TT and G'T rotamers. The contact of a Br anion to the C(2)-H also stabilizes the GT rotamer. The effects of the Cl anion close to the C(4)-Hand C(5)-Hare small. The anion effects suggest that the GT rotamer is the most stable in ionic liquids. The positive charge on imidazolium ring does not largely change the conformational energies. Estimated relative energies for the three rotamers of N-butylimidazole (0.0, -0.29 and -0.75 kcal/mol, respectively) are not largely different from those for isolated bmim. Calculated MP2/cc-pVTZ level torsional potential for the C im-N im-C-C bond has a minimum when the torsional angle is close to 90 degrees. Coplanar conformation is not a stable structure. Calculated torsional barrier height between the two nonplanar minima is less than 1 kcal/mol. 相似文献
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Yun Hu Jinlong Zhang Madoka Minagawa Terukazu Ayusawa Masaya Matsuoka Hiromi Yamashita Masakazu Anpo 《Research on Chemical Intermediates》2003,29(2):125-135
In order to investigate the cause of the decline in the photocatalytic activity of TiO2 in the decomposition of NO in a flow reaction system, detailed TPD measurements of the photocatalysts were carried out after the photoreactions. It was found that the TPD peak assigned to the adsorbed NO species observed at around 524 K is directly associated with a decline in the photocatalytic activity. The TPD spectrum of the adsorbed NO species consisted of three different types of species. The -adsorbed species of NO, formed under UV irradiation on the active surface sites, was found to cause a remarkable decline in the photocatalytic activity of TiO2. It was also found that this decline could be recovered to its original activity by heat treatment with Ar and/or O2 at around 573 K. 相似文献
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Morita T Takahashi Y Tanaka Y Arai AA Nishikawa K 《The Journal of chemical physics》2006,124(12):124519
Small-angle x-ray scattering (SAXS) measurements are carried out for supercritical polar fluorocarbons, CHF3 and CH2F2, along the isotherm of 1.04 in reduced temperatures with the density range from 0.3 to 1.5 in reduced units. A novel apparatus for determination of absorption factors of the sample fluids is used in the present measurements. The apparatus enables us to detect simultaneously the accurate factors during the observation of the SAXS signals. Long-range fluctuations such as density fluctuations and correlation lengths are evaluated from the obtained SAXS data. The reduced correlation lengths are obtained by normalization by each molecular size, in order to discuss the fluctuations independent of the difference of the individual molecular size. The density fluctuations and the reduced correlation lengths of CHF3 and CH2F2 are compared with those of CO2 and H2O. The results are as follows: H2O>CH2F2>CHF3 approximately CO2 in the order of magnitude. The fluctuations of CH2F2 are significantly distinguishable from those of CHF3 and show intermediate aspect between H2O and a group of CO2 and CHF3. In addition, the short-range correlation lengths, i.e., the Ornstein-Zernike direct correlation lengths, are firstly discussed from both viewpoints of density and substance dependences. The reduced short-range correlation lengths normalized by individual molecular size are found to trace a universal curve as a function of the reduced density. 相似文献
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Assistant Prof. Etsuro Yamada Assistant Prof. Terukazu Ota 《Heat and Mass Transfer》1980,13(1-2):27-37
Measurements have been made by the comparison method for the effective thermal conductivity of dispersed materials which consist of substances with different thermal conductivities. The applicability of existing predicting formulae is discussed in detail as comparing their predicted values with the present data. A new predicting formula is proposed through analyzing the experimental data, the numerical results, and also the data obtained with the electrolytic-bath. It is found that the proposed formula has a wider range of applicability than that of previously reported ones. 相似文献