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First-principles Molecular-dynamics Study on the Magnetic Structure of Mn3Pt
Takashi Uchida,Nobuyuki Kimura,Yoshiro Kakehashi 한국물리학회 2013 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.62 No.12
A first-principles molecular-dynamics (MD) approach to the magnetic structure of itinerant magnetsis proposed and applied to the magnetic structure of Mn3Pt, which is a three-dimensionalfrustrated magnet with an octahedral configuration of Mn local magnetic moments and exhibitstwo ordered phases at temperatures below the N´eel temperature. The theory is formulated byincorporating the first-principles tight-binding linear muffin-tin orbital Hamiltonian into the MDapproach for itinerant magnets on the basis of the functional integral method and the isothermal MDtechnique, and determines automatically the magnetic structures of itinerant magnets at finite temperatures. Numerical results at 25 K for a 3×3×3 fcc unit cell reveal a triangular-type noncollinearmagnetic structure, which is consistent with the experimentally-proposed magnetic structure of thelow-temperature-ordered phase (D-phase). With increasing temperature in the D-phase region, theamplitude and the thermal average of Mn local moments were found to decrease gradually. The stabilityof the experimentally-suggested magnetic structure of the higher-temperature-ordered phase(F-phase) in Mn3Pt is discussed on the basis of the nonmagnetic ground-state density of states,which shows a sharp sub-peak consisting of the Eg states of Mn at the Fermi energy.
다까시, 키무라 영산대학교 2002 영산논총 Vol.10 No.-
In the middle of 1960's, Korean Forces about 320,000 participated in Vietnam War. As a result, the military regime achieved miraculous economic development, so it firmed it's foundation. But, in these days, the serious war crime that the massacre by Korean Forces for the accumulation of riches during Vietnam War was revealed. The number of victims is supposed to be more than 9,000. Not only the witnesses of the victims in Vietnam, but also the witnesses of Korean Forces, war correspondents and the records of the U.S Army, show the criminal act was the truth cleary. In the conclusion, it was the perfect war crime and the Korean government should clarify truth of the massacre as early as possible.
Design and Synthesis of Resin-Conjugated Tamiflu Analogs for Affinity Chromatography
Kimura, Yasuaki,Yamatsugu, Kenzo,Kanai, Motomu,Echigo, Noriko,Kuzuhara, Takashi,Shibasaki, Masakatsu Korean Chemical Society 2010 Bulletin of the Korean Chemical Society Vol.31 No.3
Two types of resin-conjugated Tamiflu analogs were synthesized by modifying our original synthetic route of oseltamivir phosphate (Tamiflu). The prepared resins bound to influenza virus neuraminidase, the main target of Tamiflu. The resins will be useful for isolating and identifying presumed endogenous vertebrate proteins that interact with Tamiflu, which might relate to the rarely observed abnormal behavior exhibited by some influenza patients treated with Tamiflu.
Preparation of Ru-C Nano-composite Film by MOCVD and Electrode Properties for Oxygen Gas Sensor
Kimura Teiichi,Goto Takashi 한국분말야금학회 2006 한국분말야금학회 학술대회논문집 Vol.2006 No.1
Ru-C nano-composite films were prepared by MOCVD, and their microstructures and their electrode properties for oxygen gas sensors were investigated. Deposited films contained Ru particles of 5-20 nm in diameter dispersed in amorphous C matrix. The AC conductivities associating to the interface charge transfer between Ru-C composite electrode and YSZ electrolyte were 100-1000 times higher than that of conventional paste-Pt electrodes. The emf values of the oxygen gas concentration cell constructed from the nano-composite electrodes and YSZ electrolyte showed the Nernstian theoretical values at low temperatures around 500 K. The response time of the concentration cell was 900 s at 500 K.
Kikukawa, Takashi,Shimono, Kazumi,Tamogami, Jun,Miyauchi, Seiji,Kim, So Young,Kimura-Someya, Tomomi,Shirouzu, Mikako,Jung, Kwang-Hwan,Yokoyama, Shigeyuki,Kamo, Naoki American ChemicalSociety 2011 Biochemistry Vol.50 No.41
<P><I>Acetabularia</I> rhodopsins are the firstmicrobialrhodopsins discovered in a marine plant organism, <I>Acetabulariaacetabulum</I>. Previously, we expressed <I>Acetabularia</I> rhodopsin II (ARII) by a cell-free system from one of two opsingenes in <I>A. acetabulum</I> cDNA and showed that ARIIis a light-driven proton pump [Wada, T., et al. (2011) <I>J.Mol. Biol.</I><I>411</I>, 986–998]. In thisstudy, the photochemistry of ARII was examined using the flash-photolysistechnique, and data were analyzed using a sequential irreversiblemodel. Five photochemically defined intermediates (P<SUB><I>i</I></SUB>) were sufficient to simulate the data. Noticeably, both P<SUB>3</SUB> and P<SUB>4</SUB> contain an equilibrium mixture of M, N,and O. Using a transparent indium tin oxide electrode, the photoinducedproton transfer was measured over a wide pH range. Analysis of thepH-dependent proton transfer allowed estimation of the p<I>K</I><SUB>a</SUB> values of some amino acid residues. The estimated valueswere 2.6, 5.9 (or 6.3), 8.4, 9.3, 10.5, and 11.3. These values wereassigned as the p<I>K</I><SUB>a</SUB> of Asp81 (Asp85<SUP>BR</SUP>) in the dark, Asp92 (Asp96<SUP>BR</SUP>) at N, Glu199 (Glu204<SUP>BR</SUP>) at M, Glu199 in the dark, an undetermined proton-releasingresidue at the release, and the pH to start denaturation, respectively.Following this analysis, the proton transfer of ARII is discussed.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/2011/bichaw.2011.50.issue-41/bi2009932/production/images/medium/bi-2011-009932_0006.gif'></P>
Design and Synthesis of Resin-Conjugated Tamiflu Analogs for Affinity Chromatography
Yasuaki Kimura,Kenzo Yamatsugu,Motomu Kanai,Noriko Echigo,Takashi Kusuhara,Masakatsu Shibasaki 대한화학회 2010 Bulletin of the Korean Chemical Society Vol.31 No.3
Two types of resin-conjugated Tamiflu analogs were synthesized by modifying our original synthetic route of oseltamivir phosphate (Tamiflu). The prepared resins bound to influenza virus neuraminidase, the main target of Tamiflu. The resins will be useful for isolating and identifying presumed endogenous vertebrate proteins that interact with Tamiflu, which might relate to the rarely observed abnormal behavior exhibited by some influenza patients treated with Tamiflu