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Sc
)
O
determined by single-crystal neutron diffractionTanaka, Seiya*; Kiyanagi, Ryoji; Ishikawa, Yoshihisa*; Amako, Yasushi*; Iiyama, Taku*; Futamura, Ryusuke*; Maruyama, Kenichi*; Utsumi, Shigenori*
Physical Review Materials (Internet), 7(1), p.014403_1 - 014403_11, 2023/01
Times Cited Count：0 Percentile：0(Materials Science, Multidisciplinary)Miura, Daisuke*; Kumada, Takayuki; Sekine, Yurina; Oku, Takayuki; Takata, Shinichi; Hiroi, Kosuke; Iwata, Takahiro*
J-PARC 22-02; J-PARC MLF Annual Report 2021, p.6 - 7, 2022/03
We carried out spin contrast variation neutron powder diffractometry of glutamic acid crystal. The diffraction peak intensities varied as a function of proton polarization. We extracted the structure factor of hydrogen atoms from the variation of peak intensities.
Sc)O (0 
x 0.2) hexagonal ferriteMaruyama, Kenichi*; Tanaka, Seiya*; Kiyanagi, Ryoji; Nakao, Akiko*; Moriyama, Kentaro*; Ishikawa, Yoshihisa*; Amako, Yasushi*; Iiyama, Taku*; Futamura, Ryusuke*; Utsumi, Shigenori*; et al.
Journal of Alloys and Compounds, 892, p.162125_1 - 162125_8, 2022/02
Times Cited Count：2 Percentile：16.07(Chemistry, Physical)Miura, Daisuke*; Kumada, Takayuki; Sekine, Yurina; Motokawa, Ryuhei; Nakagawa, Hiroshi; Oba, Yojiro; Ohara, Takashi; Takata, Shinichi; Hiroi, Kosuke; Morikawa, Toshiaki*; et al.
Journal of Applied Crystallography, 54(2), p.454 - 460, 2021/04
Times Cited Count：1 Percentile：17.08(Chemistry, Multidisciplinary)We developed a spin-contrast-variation neutron powder diffractometry technique that extracts the structure factor of hydrogen atoms, namely, the contribution of hydrogen atoms to a crystal structure factor. Crystals of L-glutamic acid were dispersed in a dpolystyrene matrix containing 4-methacryloyloxy-2,2,6,6,-tetramethyl-1-piperidinyloxy (TEMPO methacrylate) to polarize their proton spins dynamically. The intensities of the diffraction peaks of the sample changed according to the proton polarization, and the structure factor of the hydrogen atoms was extracted from the proton-polarization dependent intensities. This technique is expected to enable analyses of the structures of hydrogen-containing materials that are difficult to determine with conventional powder diffractometry.
Tamada, Taro; Shinmi, Daisuke*; Ikeda, Masahiro*; Yonezawa, Yasushi*; Kataoka, Shiro*; Kuroki, Ryota; Mori, Eiji*; Motoki, Kazuhiro*
Scientific Reports (Internet), 5, p.17936_1 - 17936_12, 2015/12
Times Cited Count：25 Percentile：63.17(Multidisciplinary Sciences)The fully human monoclonal antibody KMTR2 acts as a strong direct agonist for tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) receptor 2 (TRAIL-R2), which is capable of inducing apoptotic cell death without cross-linking. To investigate the mechanism of direct agonistic activity induced by KMTR2, the crystal structure of the extracellular region of TRAIL-R2 and a Fab fragment derived from KMTR2 (KMTR2-Fab) was determined to 2.1 
resolution. Two KMTR2-Fabs assembled with the complementarity-determining region 2 of the light chain via two-fold crystallographic symmetry, suggesting that the KMTR2-Fab assembly tended to enhance TRAIL-R2 oligomerization. A single mutation at Asn53 to Arg located at the two-fold interface in the KMTR2 resulted in a loss of its apoptotic activity, although it retained its antigen-binding activity. These results indicate that the strong agonistic activity, such as apoptotic signaling and tumor regression, induced by KMTR2 is attributed to TRAIL-R2 superoligomerization induced by the interdimerization of KMTR2.
Komatsu, Kazuki*; Shinozaki, Ayako*; Machida, Shinichi*; Matsubayashi, Takuto*; Watanabe, Mao*; Kagi, Hiroyuki*; Sano, Asami; Hattori, Takanori
Acta Crystallographica Section B; Structural Science, Crystal Engineering and Materials (Internet), 71(1), p.74 - 80, 2015/02
Times Cited Count：19 Percentile：79.49(Chemistry, Multidisciplinary)Magnesium dichloride decahydrate (MgCl
10HO) and its deuterated counterpart (MgCl10DO) are identified for the first time by in-situ powder synchrotron X-ray and spallation neutron diffraction. These substances are crystallized from a previously unidentified nanocrystalline compound, which originates from an amorphous state at low temperature. A combination of a recently developed autoindexing procedure and the charge-flipping method reveals that the crystal structure of MgCl 10HO consists of an ABCABC... sequence of Mg(HO)
octahedra. The Cl
anions and remaining water molecules unconnected to the Mg
cations bind the octahedra, similar to other water-rich magnesium dichloride hydrates. The D positions in MgCl10DO, determined by the difference Fourier methods using the neutron powder diffraction patterns at 2.5 GPa, show the features such as bifurcated hydrogen bonds and tetrahedrally coordinated O atoms.
Iizuka, Riko*; Komatsu, Kazuki*; Kagi, Hiroyuki*; Nagai, Takaya*; Sano, Asami; Hattori, Takanori; Goto, Hirotada*; Yagi, Takehiko*
Journal of Solid State Chemistry, 218, p.95 - 102, 2014/10
Times Cited Count：7 Percentile：33.69(Chemistry, Inorganic & Nuclear)In situ neutron diffraction measurements combined with the pulsed neutron source at the Japan Proton Accelerator Research Complex (J-PARC) were conducted on high-pressure polymorphs of deuterated portlandite (Ca(OD)) using a Paris-Edinburgh cell and a multi-anvil press. The atomic positions including hydrogen for the unquenchable high-pressure phase at room temperature (phase II') were first clarified. The bent hydrogen bonds under high pressure were consistent with results from Raman spectroscopy. The structure of the high-pressure and high-temperature phase (Phase II) was concordant with that observed previously by another group for a recovered sample. The observations elucidate the phase transition mechanism among the polymorphs, which involves the sliding of CaO polyhedral layers, position modulations of Ca atoms, and recombination of Ca-O bonds accompanied by the reorientation of hydrogen to form more stable hydrogen bonds.
Fujiwara, Satoru
JAERI-Conf 2001-004, 228 Pages, 2001/03
JAERI-Conf-2001-004.pdf:16.25MB
no abstracts in English
*; *; *
JAERI-Data/Code 97-038, 24 Pages, 1997/10
JAERI-Data-Code-97-038.pdf:0.95MB
no abstracts in English
Niimura, Nobuo*
JAERI-Conf 96-001, 149 Pages, 1996/02
no abstracts in English
NiO
*; *; *; *; *; *; *; *; Morii, Yukio; ; et al.
Physica C, 185-189, p.579 - 580, 1991/00
Times Cited Count：16 Percentile：69.08(Physics, Applied)no abstracts in English
;
JAERI-M 8649, 28 Pages, 1980/01
no abstracts in English
Izui, Kazuhiko; ;
J.Electron Microsc., 22(4), p.329 - 336, 1973/04
no abstracts in English
KH(SeO
)Kiyanagi, Ryoji; Matsuo, Yasumitsu*; Ohara, Takashi; Kawasaki, Takuro; Oikawa, Kenichi; Kaneko, Koji; Tamura, Itaru; Hanashima, Takayasu*; Munakata, Koji*; Nakao, Akiko*; et al.
no journal, ,
The materials, M
H(XO) (M=alkaline metal, X=Se, S), exhibit high protonic conductivities in a relatively low temperature region. The high protonic conductivities emerge upon a structural phase transition and the phase transition temperature (Tc) varies depending on the elements of M and X. In this study, mixed materials, RbKH(SeO), were studied by means of conductivity measurements and single crystal neutron structure analyses in order to clarify how the elements at the M site affect the Tc from the structural aspect. The conductivity measurements revealed that the Tc decreased as the K content increased. The variation of the Tc was found to be non-linear with respect to the K content. The structure analyses showed that the K ions preferred to occupy one of two M sites and the occupancy of the K ion at this site non-linearly varied. In addition, the SeO tetrahedron became more distorted as the K content increased, suggesting the close relationship between the distortion and the Tc.
-AlOOH and HD isotope effectSano, Asami; Hattori, Takanori
no journal, ,
-AlOOH is a distorted rutile type hydrous phase. X-ray study have found the change in compressibility at high-pressure, with an isotope effect on the transition pressure. To examine the pressure response of hydrogen bond in -AlOOH and its DH isotope difference, we performed neutron diffraction experiments at high-pressure neutron diffractometer PLANET in MLF, J-PARC. The transition from P21nm to Pnnm, which can be attributed to the disorder of hydrogen bond or the symmtrization was found at 12.1 GPa for -AlOOD, at the same pressure where the change in compressibility was reported. The significant shortening of O...O distance and hydrogen bond was observed to 12.1 GPa; however, the O...O distance remains almost constant above the transition pressure. This study reveals that slight change of hydrogen position can induce the increase of bulk modulus in -AlOOH at high pressure.
Sano, Asami; Hattori, Takanori; Funakoshi, Kenichi*; Abe, Jun*; Machida, Shinichi*
no journal, ,
Neutron diffraction provides us unique information in the investigation of the structure of materials under high-pressure. However, high-temperature experiments above 10 GPa have not been successful so far because of the conflicting requirements of a sample volume and a sufficient thermal insulation in an internal heater assembly. To overcome this difficulty and extend the accessible PT range, we applied a 6-8 type multi-anvil assembly (MA6-8) to a neutron diffraction experiment. The experiments were conducted using the 6-axis multi-anvil press in the high- pressure neutron diffractometer PLANET. A test with NaCl as an internal pressure standard shows that the pressure reaches to 16 GPa. We also observed the synthesis of CaSiO perovskite from the starting material of wollastonite after the heating at 1100 
C at 16 GPa for 3 hours. The results demonstrate the potential utility of the MA6-8 to high temperature experiments.
Tamada, Taro; Hirano, Yu; Tomoyori, Katsuaki; Kurihara, Kazuo
no journal, ,
Two facilities for neutron protein crystallography have been installed in Japan Atomic Energy Agency. One is the research reactor, JRR-3, and the other is Material and Life science experimental Facility (MLF) in J-PARC. We have performed high-resolution neutron crystal structure analyses of two electron transfer proteins. We succeeded in data collection of these proteins at higher resolution, 1.1 (high-potential iron-sulfur protein) and 1.4 (NADH-cytochrome b5 reductase), using BL03 (iBIX) beamline in J-PARC/MLF. Joint neutron and X-ray crystallographic refinement is in progress, but we have already confirmed some characteristic hydorogens which have unideal geometries. In addition, we have a plan of installation of new diffractomer in J-PARC, which is able to cover such a crystal with large unit cell (~250). The operation of new diffractometer will allow neutron structure analyses of membrane proteins and protein complexes. In this presentation, we also talk about our approach for installation of new diffractomer.
Murayama, Tatsuya*; Watanabe, Masayuki; Fujisawa, Kiyoshi*
no journal, ,
In this presentation, N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine(TPEN) and the derivative, N,N,N',N'-Tetrakis(2-pyridylmethyl)-1,2-propanediamine(MeTPEN) which methylene chain was substituted by methyl group were used as ligand to synthesize europium complexes and which molecular structures and properties were compared by using spectroscopic methods.
Murayama, Tatsuya*; Watanabe, Masayuki; Aoyagi, Noboru; Fujisawa, Kiyoshi*
no journal, ,
In this study, we synthesized Eu(III) complex using N,N,N',N'-tetrakis(2-pyridylmethyl)-ethylenediamine (TPEN) and TPEN derivatives, N,N,N',N'-tetrakis(2-pyridylmethyl)-propylenediamine(MeTPEN) which has methyl group into the ethylenediamine framework, the structure and physical properties of these complexes investigated. The crystal structure of Eu(TPEN) and Eu(MeTPEN), the geometry of these structures indicate pseudo-bicapped square antiprism (10 coordination) with two bidentate NO; ions. As the result of investigation of fluorescence spectrum and lifetime in organic solution, the fluorescence of Eu (MeTPEN) was enhanced more intensity than that of Eu(TPEN) by addition of OAc; ion.
