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261.
Shusuke Yamanaka Keita Kanda Toru Saito Yasutaka Kitagawa Takashi Kawakami Masahiro Ehara Mitsutaka Okumura Haruki Nakamura Kizashi Yamaguchi 《Chemical physics letters》2012
We assessed the applicability and basis set dependency of the B3LYP functional to investigate magnetic interactions of Mn complexes. For the purpose, we constructed a test set consisting of 16 Mn complexes with various oxidation states and structural motifs.The B3LYP results correctly reproduced magnetism and magneto–redox correlation of the standard μ-oxo motifs with superexchange paths, while it does not work for weak magnetic complexes. We also showed that a modest basis set yields results similar to those of triple-zeta plus diffuse-and-polarization functions. This basis set is expected to be a standard basis set for investigating magnetism of manganese complexes. 相似文献
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264.
Tae-Ho Kim Masakazu Saito Masaya Matsuoka Shinya Tsukada Kiyohisa Wada Masakazu Anpo 《Research on Chemical Intermediates》2010,36(5):453-461
It was found that the photoelectrochemical performance and photocatalytic activity of rod-type TiO2 electrodes were affected by various post-calcination treatments, for example, calcination in NH3 or under vacuum. Post-calcination treatment in NH3 at 773 K was particularly effective in increasing the photoelectrochemical performance and photocatalytic activity of rod-type
TiO2 electrodes. A unique photoelectrochemical circuit was constructed by connecting a rod-type TiO2 electrode to a Pt electrode through a silicon solar cell in which the negative bias was applied on the rod-type TiO2 electrode. It was found that the photoelectrochemical circuit can effectively oxidize ethanethiol in water into CO2. 相似文献
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266.
Ahmad A. Salaimeh Jeffrey J. Campion Belal Y. Gharaibeh Martin E. Evans Kozo Saito 《Infrared Physics & Technology》2011,54(6):517-524
Quantifying viable bacteria in liquids is important in environmental, food processing, manufacturing, and medical applications. Since vegetative bacteria generate heat as a result of biochemical reactions associated with cellular functions, thermal sensing techniques, including infrared thermography (IRT), have been used to detect viable cells in biologic samples. We developed a novel method that extends the dynamic range and improves the sensitivity of bacterial quantification by IRT. The approach uses IRT video, thermodynamics laws, and heat transfer mechanisms to directly measure, in real-time, the amount of energy lost as heat from the surface of a liquid sample containing bacteria when the specimen cools to a lower temperature over 2 min. We show that the Energy Content (EC) of liquid media containing as few as 120 colony-forming units (CFU) of Escherichia coli per ml was significantly higher than that of sterile media (P < 0.0001), and that EC and viable counts were strongly positively correlated (r = 0.986) over a range of 120 to approximately 5 × 108 CFU/ml. Our IRT approach is a unique non-contact method that provides real-time bacterial enumeration over a wide dynamic range without the need for sample concentration, modification, or destruction. The approach could be adapted to quantify other living cells in a liquid milieu and has the potential for automation and high throughput. 相似文献
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Masahiro Sekiya Takeshi Noro Toshikatsu Koga Shiro L. Saito 《Journal of computational chemistry》2010,31(3):497-499
Developed and reported are compact yet efficient correlating basis sets for the 57La and 89Ac atoms, missing in the literature. Good performance of these correlating sets is exemplified in molecular applications to diatomic oxides and fluorides. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010 相似文献
269.
A new preconcentration method with yeast is presented. The method was evaluated for the determination of trace silver in river waters by graphite furnace atomic absorption spectrometry (GFAAS). A suitable cultivation bed for preconcentration of silver was 1.75 mg ml-1 2-ammonium hydrogen phosphate. The optimal cultivation time and temperature were 2 h and 25 degrees C. Under optimal conditions, silver in aqueous sample was concentrated to 6.9-fold by yeast. The detection limit was 4.6 pg ml-1 (3S/N) for silver in river water. The yeast preconcentration method was applied to the determination of silver in river waters. The recovery of spiked silver was in the range of 89 to 110%. By the preconcentration, it was found that ultra trace silver in river waters could be determined without interferences of matrix elements, after only the cultivation and with no chemical treatment. 相似文献
270.
Toriya S Tamura Y Takei T Fuji M Watanabe T Chikazawa M 《Journal of colloid and interface science》2002,255(1):171-176
The silica-pillared derivatives from kanemite (NaHSi(2)O(5).3H(2)O) were prepared by intercalation of dialkyldimethylammonium (DADMA) ion and pillaring with tetraethylorthosilicate. The formation of silica pillars between the silicate sheets was demonstrated by X-ray diffraction, (29)Si CP/MAS NMR, and TEM observation. The basal spacing depended on the chain length of DADMA. Nitrogen adsorption study showed that the specific surface area was enlarged over 1000 m(2) g(-1) by the pillaring and that the pore size was in the micropore region. Water and benzene adsorption isotherms revealed that the surface properties of the pillared derivatives show hydrophobic character. 相似文献