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Baba, Yuji; Shimoyama, Iwao; Hirao, Norie
no journal, ,
no abstracts in English
Otobe, Tomohito
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Recently, extreme laser pulse in attosecond region enable us to explore the time-resolved electron dynamics. In theoretical aspect, conventional framework in frequency domain is not suitable. We study the real-time calculation method for the electron dynamics in first-principle level.
Hirano, Yu; Kimura, Shigenobu*; Tamada, Taro
no journal, ,
Mammalian microsomal cytochrome b5 has multiple electron-transfer partners that function in various electron-transfer reactions. X-ray diffraction data of the solubilized haem-binding domain of cytochrome b5 from porcine liver were collected at PF BL5A and BL17A beamlines. We obtained four data sets at sub-angstrom resolution in two crystal forms for both the oxidized and reduced states. The high-resolution structures clearly displayed the electron density of H atoms in some amino-acid residues. Unrestrained refinement of bond lengths revealed that the protonation states of the haem propionate group may be involved in regulation of the haem redox properties. Although the haem Fe coordination geometry did not show significant differences between the oxidized and reduced structures, structural differences were observed in the hydrogen-bond network around the axial ligand His68. The hydrogen-bond network could be involved in regulating the redox states of the haem group.
Hajima, Ryoichi
no journal, ,
no abstracts in English
Hajima, Ryoichi; Fujiwara, Mamoru*
no journal, ,
no abstracts in English
Kajimoto, Ryoichi; Nakamura, Mitsutaka; Inamura, Yasuhiro; Kamazawa, Kazuya*; Ikeuchi, Kazuhiko*; Iida, Kazuki*; Ishikado, Motoyuki*; Nakajima, Kenji; Kawamura, Seiko; Nakatani, Takeshi; et al.
no journal, ,
no abstracts in English
Kodama, Katsuaki; Ikeda, Kazutaka*; Takeda, Hikaru*; Isobe, Masahiko*; Ito, Masayuki*; Ueda, Yutaka*; Shamoto, Shinichi; Otomo, Toshiya*
no journal, ,
no abstracts in English
Kiyanagi, Ryoji; Ohara, Takashi; Nakao, Akiko*; Hanashima, Takayasu*; Munakata, Koji*; Moyoshi, Taketo*; Kuroda, Tetsuya*; Tamura, Itaru; Oikawa, Kenichi; Kaneko, Koji; et al.
no journal, ,
SENJU is a TOF-Laue type neutron single crystal diffractometer built at BL18 in J-PARC/MLF and has been in operation since 2012. This instrument is designed to perform precise structure analyses of inorganic materials, small molecular materials and magnetic materials under special environment. With this instrument, highly efficient measurements of a small single crystal can be achieved utilizing the high flux white neutrons provided by J-PARC and multiple 2-dimentional detectors. 4K-cryostat is one of the most commonly used sample environment devices which is equipped with a 2-axis rotators at the cold head. Owing to this functionality, one can measure several different orientations of a sample without moving the cryostat nor without taking the sample out. The superconducting magnet which can generate 7T at most offers very clean data since no Bragg reflections originated from the magnet appear in the low-momentum transfer region. The measured data will be analyzed with a software called STARGazer, which can cover the visualization of the data, data reduction to histogram files, determination of the orientation matrixes and integration of peak intensity for further structure analyses.
Ohara, Takashi; Hanashima, Takayasu*; Munakata, Koji*; Moyoshi, Taketo*; Kiyanagi, Ryoji; Nakao, Akiko*; Kuroda, Tetsuya*
no journal, ,
no abstracts in English
Nakamura, Mitsutaka; Kajimoto, Ryoichi; Inamura, Yasuhiro; Aoyama, Kazuhiro; Kambara, Wataru*; Kawakami, Kazuhiro; Kubo, Naoya; Kamazawa, Kazuya*; Ikeuchi, Kazuhiko*; Iida, Kazuki*; et al.
no journal, ,
The chopper spectrometer 4SEASONS at J-PARC MLF had used a Fermi chopper borrowed from the SNS facility until 2014. A new Fermi chopper which reviewed the design of the slit package has recently started operation. As a result, we have succeeded in achieving the intensity gain up of to several tens of times in the low-energy region. In this presentation we will report the details of spec and design of a new Fermi chopper.
Nakajima, Kenji; Kawamura, Seiko; Kikuchi, Tatsuya; Kawakita, Yukinobu; Kajimoto, Ryoichi; Nakamura, Mitsutaka; Aoyama, Kazuhiro; Kambara, Wataru*; Yamauchi, Yasuhiro; Kubo, Naoya
no journal, ,
AMATERAS is a cold-neutron multi disk-chopper spectrometer at Materials and Life Science Experimental Facility (MLF) in J-PARC. The spectrometer has had the first neutron beam in May 2009 and had the first user in December 2009. The user program on AMATERAS is running successfully for 5 years. In this presentation, we will present the current status of AMATERAS together with ideas of future upgrade plans.
-conjugated carbon materials by phosphorus dopingShimoyama, Iwao; Baba, Yuji
no journal, ,
Thiophene adsorption property on graphite was studied to clarify influence of N and P dopings for the application of adsorptive desulfurization of carbon alloys. An Ar 
-irradiated sample was also prepare to compare the influence of radiation damage, and all the samples were exposed to thiophene gas with saturated condition after ion beam doping. Thiophene coverages were estimated from XPS, and thiophene adsorption abilities obtained from the coverage and dopant density showed P-doped sample had larger value than N-doped sample by about 20 times. And room temperature doping showed larger adsorption ability than high-temperature doping for P-doped samples by about 10 times. We have clarified that planar P sites were preferentially formed by high-temperature doping and curved P sites were preferentially formed by room-temperature doping. This suggests that curved P sites have higher adsorption property than planar P sites. We compared these experimental results with theoretical results of minimum energy path analysis using molecular orbital calculations, and confirmed influence of P doping for the improvement of thiophene adsorption property.
Harjo, S.; Kawasaki, Takuro; Aizawa, Kazuya; Shibata, Akinobu*; Tsuji, Nobuhiro*
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no abstracts in English
eV high energy resolution TOF type Si crystal analyzer backscattering spectrometer DNA at J-PARC/MLFShibata, Kaoru; Takahashi, Nobuaki*; Kawakita, Yukinobu; Matsuura, Masato*; Tominaga, Taiki*; Yamada, Takeshi*
no journal, ,
no abstracts in English
Inamura, Yasuhiro; Ito, Takayoshi*; Nakatani, Takeshi; Suzuki, Jiro*
no journal, ,
"Utsusemi" is the data reduction software packages used in MLF, J-PARC, which is based on analysis software framework Manyo Library. The development of "Utsusemi" had started as the software to control the instrument and to analysis data for the inelastic neutron scattering. Especially "Utsusemi" is utilized to treat event-recording data in MLF and produced many results, for example the achievement of multi-Ei methods and so on. In these years, "Utsusemi" is required not only from inelastic instruments but also from other instruments by the demands to analyze event-recording data effectively. "Utsusemi" is successfully introduced in many instruments in MLF now. However, we have some problems on using in users environment. Originally "Utsusemi" is running on only Linux, and we don't have enough ways to distribute updated codes or information. To solve these, we had started several projects, for example the development of "Utsusemi" binary package to run on Windows and MacOS.
Nakatani, Takeshi; Inamura, Yasuhiro; Moriyama, Kentaro
no journal, ,
The standard instrument control software framework in J-PARC/MLF, called "IROHA2", consists of four software components, i.e. the device control server for individual device control and monitoring, the instrument management server for authentication and management of measurements and instrument configurations, the sequence management server for automatic measurements and the integrate control server for integrated control and status monitoring of the instrument. In this financial year, IROHA2 supports more than 50 devices by the device control server and have been introduced into several instruments in MLF and operated in users' experiments. In addition, we have improved the user interfaces based on feedback from users' operations and implemented the cooperation function with the MLF integrated authentication system and the MLF business database. We will report the present status and the improvement points in this poster.
Watanabe, Masao; Nojiri, Hiroyuki*
no journal, ,
Recently, neutron scattering experiments have been rapidly progressed under high magnetic field. In the J-PARC, proto-type compact pulse magnet system with the power supply, the coil and the sample stick has been developed. Basic specifications of the power supply are as follows; maximum charged voltage with capacitor is 2 kV, maximum current is 8 kA, repetition rate is a pulse per several minutes and pulse duration is several msec. Maximum magnetic field in the coil is more than 30 Tesla. The sample stick is designed for Orange-Cryostat. In this presentation, the details of the power supply system, test results of the coil and assembly of the sample stick are shown.
He spin filter developmentOku, Takayuki; Sakai, Kenji; Hiroi, Kosuke; Watanabe, Masao; Shinohara, Takenao; Aizawa, Kazuya; Kakurai, Kazuhisa; Kira, Hiroshi*; Hayashida, Hirotoshi*; Kiriyama, Koji*; et al.
no journal, ,
We have been developing a He neutron spin filter for applicaion at J-PARC MLF. The He neutron spin filter is avairable for neutrons in a wide energy range, and is also effective for a divergent neutron beam. Therefore, it is very useful in the neutron scattering experiment. So far, we have devleoped a compact laser optics with a volume holographic grating (VHG) elements, and have constructed an on-beam SEOP based He neutron spin filter. The olarization analysis tests were performed with the He neutron spin filter at several neutron beamlines for the sans, reflectivity and neutron imaging experiments. To extend the application range of the He neutron spin filter at J-PARC MLF, we plan to develop larger saize cells, higher power laser for the SEOP, and prepare working area for the filter inside the MLF experimental hall.
Kaminaga, Kiichi; Usami, Noriko*; Yokoya, Akinari
no journal, ,
no abstracts in English