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Nakaniwa, Tetsuko*; Fukata, Harumi*; Inoue, Tatsuya*; Goda, Masaki*; Nakai, Ryoko*; Kirii, Yasuyuki*; Adachi, Motoyasu; Tamada, Taro; Segawa, Shinichi*; Kuroki, Ryota; et al.
Biochemistry, 51(42), p.8410 - 8421, 2012/10
Times Cited Count：18 Percentile：42.73(Biochemistry & Molecular Biology)Protein kinase is a vital drug target for the treatment of a wide range of diseases. To investigate the effect of cysteine mutation on the function, stability and structure of kinase, free cysteines of c-Jun N-terminal kinase 1 (JNK1) were systematically removed by mutation. Two cysteine-destructed mutants in which three (M3) and seven (M7) cysteine residues are removed, yielded about 5 and 2 times than wild type JNK-1 (M0). SDS PAGE analysis showed that the aggregation was less in the case of M3 and M7. Thermal unfolding experiment of M0, M3 and M7 using by differential scanning calorimetry proceeded at least three state unfolding. Crystal structure of the M3 mutant was determined to 2.6 
resolution, which was identical to that of the wild-type. Consequently, due to the highest yield, its improved stability against aggregation and its structural similarity to the wild type, the M3 mutant is suitable for the use of further characterization of its function and structure.
Tamada, Taro; Kinoshita, Takayoshi*; Kurihara, Kazuo; Adachi, Motoyasu; Ohara, Takashi; Imai, Keisuke*; Kuroki, Ryota; Tada, Toshiji*
Journal of the American Chemical Society, 131(31), p.11033 - 11040, 2009/07
Times Cited Count：58 Percentile：79.24(Chemistry, Multidisciplinary)To help resolve long-standing questions regarding the catalytic activity of the serine proteases the structure of porcine pancreatic elastase has been analyzed by high-resolution neutron and X-ray crystallography. In order to mimic the tetrahedral transition intermediate a peptidic inhibitor was used. A single large crystal was used to collect room-temperature neutron data to 1.65 resolution and X-ray data to 1.20 resolution. Another crystal provided a low-temperature X-ray data set to 0.94 resolution. The neutron data are to higher resolution than previously reported for a serine protease and the X-ray data are comparable with other studies. The neutron and X-ray data show that the hydrogen bond between His57 and Asp102 (chymotrypsin numbering) is 2.60 in length and that the hydrogen-bonding hydrogen is 0.80-0.96 from the histidine nitrogen. This is not consistent with a low-barrier hydrogen which is predicted to have the hydrogen midway between the donor and acceptor atom. The observed interaction between His57 and Asp102 is essentially a short but conventional hydrogen bond, sometimes described as a short ionic hydrogen bond. The neutron analysis also shows that the oxygen of the oxopropyl group of the inhibitor is present as an oxygen anion rather than a hydroxyl group, supporting the role of the "oxyanion hole" in stabilizing the tetrahedral intermediate in catalysis.
by means of synchrotron radiation X-ray photoelectron spectroscopyIwase, Akihiro*; Ono, Hirotaka*; Ishikawa, Norito; Baba, Yuji; Hirao, Norie; Sonoda, Takeshi*; Kinoshita, Motoyasu*
Nuclear Instruments and Methods in Physics Research B, 267(6), p.969 - 972, 2009/03
Times Cited Count：37 Percentile：90.94(Instruments & Instrumentation)To study the effects of swift heavy ion irradiation on cerium dioxide (CeO), CeO sintered pellets were irradiated with 200 MeV Xe ions at room temperature. For irradiated and unirradiated samples, the spectra of X-ray photoelectron spectroscopy (XPS) were measured. XPS spectra for the irradiated samples show that the valence state of Ce atoms partly changes from +4 to +3. The amount of Ce
state was quantitatively obtained as a function of ion-fluence. The relative amount of oxygen atom displacements, which are accompanied by the decrease in Ce valence state, is 3-5%. This value is too large to be explained in terms of elastic interactions between CeO and 200 MeV ions. The experimental result suggests the contribution of 200 MeV Xe induced electronic excitation to the displacements of oxygen atoms.
Ichinomiya, Takashi*; Uberuaga, B. P.*; Sickafus, K. E.*; Nishiura, Yasumasa*; Itakura, Mitsuhiro; Chen, Y.*; Kaneta, Yasunori*; Kinoshita, Motoyasu
Journal of Nuclear Materials, 384(3), p.315 - 321, 2009/02
Times Cited Count：32 Percentile：88.42(Materials Science, Multidisciplinary)We studied the migration dynamics of oxygen point defects in UO which is the primary ceramic fuel for light-water reactors. Temperature accelerated dynamics simulations are performed for several initial conditions. Though the migration of the single interstitial is much slower than that of the vacancy, clustered interstitial shows faster migration than those. This observation gives us important insight on the formation mechanism of high-burnup restructuring, including planar defects and grain sub-division (the rim structure), found in UO.
Sonoda, Takeshi*; Kinoshita, Motoyasu*; Ishikawa, Norito; Sataka, Masao; Chimi, Yasuhiro; Okubo, Nariaki; Iwase, Akihiro*; Yasunaga, Kazufumi*
Nuclear Instruments and Methods in Physics Research B, 266(12-13), p.2882 - 2886, 2008/06
Times Cited Count：31 Percentile：86.74(Instruments & Instrumentation)High-energy particle irradiation effects of CeO is investigated using electron microscopy. It is found that ion track is formed only when the electronic energy transfer exceeds 16 keV/nm.
Ono, Hirotaka*; Iwase, Akihiro*; Matsumura, Daiju; Nishihata, Yasuo; Mizuki, Junichiro; Ishikawa, Norito; Baba, Yuji; Hirao, Norie; Sonoda, Takeshi*; Kinoshita, Motoyasu
Nuclear Instruments and Methods in Physics Research B, 266(12-13), p.3013 - 3017, 2008/06
Times Cited Count：60 Percentile：96.05(Instruments & Instrumentation)Radiation damage of CeO irradiated with 200MeV Xe is characterized by EXAFS and XPS measurement. It is found that oxygen deficiencies are created after the irradiation, and charge state of Ce is changed from +4 to +3.
by using synchrotron radiation X-ray absorption spectroscopy; As a simulation study for radiation damage in high-burnup light water reactor fuelsOno, Hirotaka*; Matsumura, Daiju; Nishihata, Yasuo; Mizuki, Junichiro; Ishikawa, Norito; Sonoda, Takeshi*; Kinoshita, Motoyasu*; Iwase, Akihiro*
Materials Research Society Symposium Proceedings, Vol.1043, p.179 - 183, 2008/00
CeO thin films were irradiated with 200 MeV Xe ions. Effects of the irradiation were studied by using Extended X-ray Absorption Fine Structure (EXAFS) measurement at SPring-8 synchrotron radiation facility. EXAFS spectra for the irradiated thin films near the Ce K-edge show that the coordination number for oxygen atoms around Ce atom decreases and that the Ce-O Debye-Waller factor increases by the irradiation. The atomic distance between oxygen atom and Ce atom does not vary within the accuracy of EXAFS measurement. The effect of high density electronic excitation on the structure of CeO is discussed.
Kinoshita, Motoyasu*; Geng, H. Y.*; Chen, Y.*; Kaneta, Yasunori*; Iwasawa, Misako*; Onuma, Toshiharu*; Sonoda, Takeshi*; Yasunaga, Kazufumi*; Matsumura, Sho*; Yasuda, Kazuhiro*; et al.
Proceedings of 2006 International Meeting on LWR Fuel Performance (TopFuel 2006) (CD-ROM), p.248 - 254, 2006/10
The New Crossover Project (NXO) is studying effect of fission irradiation on fuel material that research activity is crossing over universities, national and private laboratories. Simulation studies are being performed to find principal and triggering processes of the rim-structure formation in high burnup LWR fuel pellet, using accelerator irradiation and computational calculations. Accelerator irradiation, high energy electron irradiation, fission energy particle beam and ion implantation (ragegas atoms) and combined overlapping irradiations are being performed. For the target of irradiation, CeO isused as simulation of nuclear fuel. The initial results were such as planar structure made by Oxygen defects created by high energy electrons, and surface modification similar to grain-sub-division created by high fluence high energy particle irradiations.
; Dimer and planar orderingNakamura, Jinichi; Geng, H.*; Chen, Y.*; Kaneta, Yasunori*; Iwasawa, Misako*; Onuma, Toshiharu*; Kinoshita, Motoyasu
no journal, ,
Sonoda, Takeshi*; Ishikawa, Norito; Sataka, Masao; Okubo, Nariaki; Yasunaga, Kazufumi*; Yasuda, Kazuhiro*; Shiiyama, Kenichi*; Matsumura, Sho*; Iwase, Akihiro*; Kinoshita, Motoyasu*
no journal, ,
In order to elucidate the radiation damage in nuclear fuel, simulation material CeO has been irradiated with ions and its damage has been investigated. It is found that by 210MeV Xe irradiation subdivision of crystals is promoted, and Xe-preimplantation accelerates it.
" by means of synchrotron radiationOno, Hirotaka*; Maeda, Nobuhiro*; Nakagawa, Sho*; Zushi, Yoshihiro*; Iwase, Akihiro*; Baba, Yuji; Hirao, Norie*; Ishikawa, Norito; Chimi, Yasuhiro; Sataka, Masao; et al.
no journal, ,
X-ray absorption spectroscopy is applied for evaluation of heavy ion irradiation effects in sim-fuel CeO in order to investigate the radiation damage of nuclear fuels bombarded by fission fragments. It is found that oxygen atoms are displaced via elastic displacement process, and the charge state of Ce changes from 4+ to 3+.
/CeOSuzudo, Tomoaki; Kaburaki, Hideo; Itakura, Mitsuhiro; Fukuda, Yuka*; Kinoshita, Motoyasu
no journal, ,
In the peripheral region of the high-burnup fuel pellets, many bubbles with the size of about 1 micron appear and the original grains become sub-divided. This is called rim-structure formation and cause the degradation of the material. We thus are modeling this micro-structure change using e.g. a Monte-Carlo method. In the presentation, to verify the model the numerical results are compared not only with UO rim-structured data but also with the data given by the simulation experiment in which Ce0 was irradiated by the Xe-ion beam from accelerator.
Kinoshita, Motoyasu; Chen, Y.*; Sonoda, Takeshi*; Matsumura, Sho*; Nishiura, Yasumasa*; Iwase, Akihiro*; Nakamura, Jinichi
no journal, ,
no abstracts in English
Kinoshita, Motoyasu; Chen, Y.*; Abe, Hiroaki*; Nishiura, Yasumasa*; Matsumura, Sho*; Iwase, Akihiro*; Sonoda, Takeshi*; Sataka, Masao; Kaburaki, Hideo; Nakamura, Jinichi
no journal, ,
no abstracts in English
Kinoshita, Motoyasu
no journal, ,
Kinoshita, Motoyasu; Chen, Y.*; Kaneta, Yasunori*; Geng, H. Y.*; Iwasawa, Misako*; Onuma, Toshiharu*; Ichinomiya, Takashi*; Nishiura, Yasumasa*; Itakura, Mitsuhiro; Nakamura, Jinichi; et al.
no journal, ,
no abstracts in English
and CeOChen, Y.*; Kaneta, Yasunori*; Geng, H. Y.*; Kinoshita, Motoyasu; Iwasawa, Misako*; Onuma, Toshiharu*; Nakamura, Jinichi
no journal, ,
no abstracts in English
Kinoshita, Motoyasu; Yasunaga, Kazufumi*; Sonoda, Takeshi*; Iwase, Akihiro*; Ishikawa, Norito; Sataka, Masao; Yasuda, Kazuhiro*; Matsumura, Sho*; Geng, H. Y.*; Ichinomiya, Takashi*; et al.
no journal, ,
We show the outline of achievements of New Cross Over (NXO) project. Concerning the grain subdivision of ceramics fuel at high burnup, we are trying to clarify the mechanisms and to develop the simulation methods. The main high lights are as follow as: (1) We have reproduced the grain subdivision of CeO, by means of ion implanter and TUNDEM accelerator. (2) We performed computational science study concerning the relocation of oxygen. In case of oxygen exess conditions, first principal calculation reproduced the orderring structure. TAD calculation shows that the exess oxygen compose clusters and diffuses rapidly even if low temperature.
by means of syncrotron radiation X-ray photoelectron spectroscopy and Ce K-edge EXAFS spectroscopyIwase, Akihiro*; Ono, Hirotaka*; Matsumura, Daiju; Nishihata, Yasuo; Mizuki, Junichiro; Ishikawa, Norito; Baba, Yuji; Hirao, Norie; Sonoda, Takeshi*; Kinoshita, Motoyasu*
no journal, ,
To study the effects of swift heavy ion irradiation in cerium dioxide, the samples were irradiated with 200MeV Xe. The irradiated samples were analyzed by EXAFS measurement and XPS measurement.
Suzudo, Tomoaki; Kaburaki, Hideo; Itakura, Mitsuhiro; Kinoshita, Motoyasu
no journal, ,
The advent of large fission-gas bubbles in the high-burnup fuels limits their life-time and is always accompanied by the grain subdivision. Thus it is surmised that grain sub-division is a key to understand this microstructure change. We in this presentation computationally study the grain sub-division mentioned above, and for this purpose we developed a mesoscale model without recourse to dislocation dynamics that always involve many of daunting tasks. It roughly models the grain subdivision through the dislocation cell formation associated with the rotation of crystallographic orientation. Through the comparison with the experimental observations, we discuss the validity of the model.
