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Micheau, C.; Ueda, Yuki; Motokawa, Ryuhei; Akutsu, Kazuhiro*; Yamada, Norifumi*; Yamada, Masako*; Moussaoui, S. A.*; Makombe, E.*; Meyer, D.*; Berthon, L.*; et al.
Journal of Molecular Liquids, 401, p.124372_1 - 124372_12, 2024/05
Supramolecular organization of extractant molecules impacts metal ions separation behavior. Probing bulk and interfacial structures of the relevant systems is expected to provide key insights into the metal ion selectivity and kinetic aspects. The supramolecular features of two solvent extraction systems based on malonamide extractants THMA in toluene and DBMA in n-heptane were studied using small-angle X-ray scattering for the organic bulk phases, as well as interfacial tension and neutron reflectivity measurements for the interfaces. In the bulk solution, THMA forms dimeric/trimeric associates but no aggregates in toluene, while DBMA forms large aggregates in n-heptane. On the other hand, THMA accumulates in a diffuse layer at the interface at high THMA concentration, whereas DBMA forms a compact but thinner layer. After Pd(II) extraction, the thickness of interfacial layers decreases in the case of THMA, and totally vanishes in the case of DBMA. Based on these new structural information, two mechanisms are proposed for Pd(II) and Nd(III) extraction with malonamides. In toluene, THMA associates slightly accumulate in the vicinity of the interface, then coordinate Pd(II) and diffuse into the organic bulk phase. In n-heptane, DBMA aggregates adsorb at the interface then pick up Nd(III) cations in their polar cores and finally diffuse into the bulk.
Shamoto, Shinichi; Akatsu, Mitsuhiro*; Chang, L.-J.*; Nemoto, Yuichi*; Ieda, Junichi
Applied Physics Letters, 124(11), p.112402_1 - 112402_5, 2024/03
The magnon excitation by ultrasound injection in Y
Fe
O
is studied by inelastic neutron scattering. Both longitudinal and transverse ultrasound injections enhanced the inelastic neutron scattering intensity.
CoSiYamauchi, Hiroki; Sari, D. P.*; Yasui, Yukio*; Sakakura, Terutoshi*; Kimura, Hiroyuki*; Nakao, Akiko*; Ohara, Takashi; Honda, Takashi*; Kodama, Katsuaki; Igawa, Naoki; et al.
Physical Review Research (Internet), 6(1), p.013144_1 - 013144_9, 2024/02
Okita, Shoichiro; Goto, Minoru
Proceedings of 12th International Conference on Nuclear Criticality Safety (ICNC2023) (Internet), 10 Pages, 2023/10
Iwase, Hiroki*; Akamatsu, Masaaki*; Inamura, Yasuhiro; Sakaguchi, Yoshifumi*; Morikawa, Toshiaki*; Kasai, Satoshi*; Ouchi, Keiichi*; Kobayashi, Kazuki*; Sakai, Hideki*
Journal of Applied Crystallography, 56(1), p.110 - 115, 2023/02
Times Cited Count：2 Percentile：85.44(Chemistry, Multidisciplinary)With the increasing importance of light-responsive materials, it is vital to analyze the relationship between function and structural changes induced by light irradiation. Small-angle scattering (SAS) is effective for such structural analysis. However, quantitatively capturing local molecular structure formation and molecular reactions at a scale of less than 1 nm via SAS is difficult. In this study, to analyze the structure of non-equilibrium phenomena in light-responsive materials, a new sample environment has been developed for a time-of-flight small- and wide-angle neutron scattering instrument (TAIKAN), comprising a UV-Vis irradiation system, UV-Vis absorption measurement equipment and photodetector. Simultaneous measurement of small-angle neutron scattering and UV-Vis absorption was achieved. This system was used to demonstrate the in situ observation of UV-Vis irradiation-induced structural change of micelles formed by a light-responsive surfactant sample in an aqueous solution.
Wu, P.*; Murai, Naoki; Li, T.*; Kajimoto, Ryoichi; Nakamura, Mitsutaka; Kofu, Maiko; Nakajima, Kenji; Xia, K.*; Peng, K.*; Zhang, Y.*; et al.
New Journal of Physics (Internet), 25(1), p.013032_1 - 013032_11, 2023/01
Times Cited Count：0 Percentile：0(Physics, Multidisciplinary)Omasa, Yoshinori*; Takagi, Shigeyuki*; Toshima, Kento*; Yokoyama, Kaito*; Endo, Wataru*; Orimo, Shinichi*; Saito, Hiroyuki*; Yamada, Takeshi*; Kawakita, Yukinobu; Ikeda, Kazutaka*; et al.
Physical Review Research (Internet), 4(3), p.033215_1 - 033215_9, 2022/09
= 
quasikagome-lattice compound CeRh
Pd
Sn investigated using muon spin relaxation and neutron scatteringTripathi, R.*; Adroja, D. T.*; Ritter, C.*; Sharma, S.*; Yang, C.*; Hillier, A. D.*; Koza, M. M.*; Demmel, F.*; Sundaresan, A.*; Langridge, S.*; et al.
Physical Review B, 106(6), p.064436_1 - 064436_17, 2022/08
Times Cited Count：2 Percentile：34.67(Materials Science, Multidisciplinary)Arai, Yosuke*; Kuroda, Kenta*; Nomoto, Takuya*; Tin, Z. H.*; Sakuragi, Shunsuke*; Bareille, C.*; Akebi, Shuntaro*; Kurokawa, Kifu*; Kinoshita, Yuto*; Zhang, W.-L.*; et al.
Nature Materials, 21(4), p.410 - 415, 2022/04
Times Cited Count：7 Percentile：77.62(Chemistry, Physical)Hashimoto, Shunsuke*; Nakajima, Kenji; Kikuchi, Tatsuya*; Kamazawa, Kazuya*; Shibata, Kaoru; Yamada, Takeshi*
Journal of Molecular Liquids, 342, p.117580_1 - 117580_8, 2021/11
Times Cited Count：3 Percentile：27(Chemistry, Physical)Quasi-elastic neutron scattering (QENS) and pulsed-field-gradient nuclear magnetic resonance (PFGNMR) analyses of a nanofluid composed of silicon dioxide (SiO
) nanoparticles and a base fluid of ethylene glycol aqueous solution were performed. The aim was to elucidate the mechanism increase in the thermal conductivity of the nanofluid above its theoretical value. The obtained experimental results indicate that SiO particles may decrease the self-diffusion coefficient of the liquid molecules in the ethylene glycol aqueous solution because of their highly restricted motion around these nanoparticles. At a constant temperature, the thermal conductivity increases as the self-diffusion coefficient of the liquid molecules decreases in the SiO nanofluids.
Tominaga, Taiki*; Kobayashi, Makoto*; Yamada, Takeshi*; Matsuura, Masato*; Kawakita, Yukinobu; Kasai, Satoshi*
JPS Conference Proceedings (Internet), 33, p.011095_1 - 011095_5, 2021/03
A vertical movement type of sample changer for the neutron spectrometer BL02, J-PARC MLF was developed for our top-loading type cryostat. The sample changer, termed as "PEACE", can control reproducibility of the irradiated position using guides made of polyether ether ketone. The variation between the background scattering profiles of three sample positions was found to be less than plus minus 1.6%. This result is reasonable, considering the deviation of sample position of less than plus minus 0.3 mm from the vertical axis.
Tominaga, Taiki*; Kawakita, Yukinobu; Nakagawa, Hiroshi; Yamada, Takeshi*; Shibata, Kaoru
JPS Conference Proceedings (Internet), 33, p.011086_1 - 011086_5, 2021/03
We developed a quartz double cylindrical sample cell optimized for a backscattering neutron spectrometer, especially for BL02 (DNA), MLF in J-PARC. A quartz glass tube, with one end closed, is shaved to obtain a wall thickness of 0.55 mm. The inner tube is properly centered using a protrusion into the outer tube such that the interstice between the outer and inner tubes keeps constant. This quartz cell can be used for samples that should not be in contact with the aluminum surface. We verified cell's background effect between the quartz cell and Al cell by QENS measurements using DO buffer. The elastic intensity profiles of the buffer in a low Q region were identical between both quartz cell and Al cell (A1070). In a high Q region, however, the profiles were different caused by the first sharp diffraction peak of quartz glass. For this region the data should be analyzed by consideration of absorption correction and diffraction in individual thickness of quartz cell.
Gonzal
z, M. A.*; Borodin, O.*; Kofu, Maiko; Shibata, Kaoru; Yamada, Takeshi*; Yamamuro, Osamu*; Xu, K.*; Price, D. L.*; Saboungi, M.-L.*
Journal of Physical Chemistry Letters (Internet), 11(17), p.7279 - 7284, 2020/09
Times Cited Count：16 Percentile：77.33(Chemistry, Physical)Ichihara, Akira
JAEA-Review 2019-046, 36 Pages, 2020/03
JAEA-Review-2019-046.pdf:1.55MB
Toward the revision of JENDL-4.0, we conducted a literature survey on how to compute the cross section of thermal neutrons scattered by a liquid. This report summarizes the computational methods for evaluating thermal neutron cross sections with molecular dynamics simulations. The cross section can be expressed with a function called as scattering law. For light and heavy water, the scattering law data instead of the cross sections have been provided in nuclear databases. In this report we review the formulations of the scattering laws. The scattering laws can be derived from both the intermediate scattering function and the space-time correlation function. Features of the derived scattering laws are briefly explained. It is shown that the scattering law data can be evaluated using a molecular dynamics simulation of the liquid that is the target of thermal neutrons.
Fujiwara, Satoru*; Matsuo, Tatsuhito*; Sugimoto, Yasunobu*; Shibata, Kaoru
Journal of Physical Chemistry Letters (Internet), 10(23), p.7505 - 7509, 2019/12
Times Cited Count：4 Percentile：21.85(Chemistry, Physical)Characterization of the dynamics of disordered polypeptide chains is required to elucidate the behavior of intrinsically disordered proteins and proteins under non-native states related to the folding process. Here we develop a method using quasielastic neutron scattering, combined with small-angle X-ray scattering and dynamic light scattering, to evaluate segmental motions of proteins as well as diffusion of the entire molecules and local side-chain motions. We apply this method to RNase A under the unfolded and molten-globule (MG) states. The diffusion coefficients arising from the segmental motions are evaluated and found to be different between the unfolded and MG states. The values obtained here are consistent with those obtained using the fluorescence-based techniques. These results demonstrate not only feasibility of this method but also usefulness to characterize the behavior of proteins under various disordered states.
-synuclein related to propensity to amyloid fibril formationFujiwara, Satoru*; Kono, Fumiaki*; Matsuo, Tatsuhito*; Sugimoto, Yasunobu*; Matsumoto, Tomoharu*; Narita, Tetsuhiro*; Shibata, Kaoru
Journal of Molecular Biology, 431(17), p.3229 - 3245, 2019/08
Times Cited Count：12 Percentile：49.22(Biochemistry & Molecular Biology)-synuclein (Syn) is an intrinsically disordered protein (IDP) with unknown function. Syn is known to form amyloid fibrils, which are implicated with the pathogenesis of Parkinson's disease and other synucleinopathies. Elucidating the mechanism of fibril formation of Syn is therefore important for understanding the mechanism of the pathogenesis of these diseases. Here, using the quasielastic neutron scattering (QENS) and small-angle X-ray scattering (SAXS) techniques, we investigated the dynamic and structural properties of Syn. These results imply that fibril formation of Syn requires not only the enhanced local motions but also the segmental motions such that the proper inter-molecular interactions are possible.
Shamoto, Shinichi
Journal of the Physical Society of Japan, 88(8), p.081008_1 - 081008_11, 2019/08
Times Cited Count：1 Percentile：11.61(Physics, Multidisciplinary)Teshigawara, Makoto; Tsuchikawa, Yusuke*; Ichikawa, Go*; Takata, Shinichi; Mishima, Kenji*; Harada, Masahide; Oi, Motoki; Kawamura, Yukihiko*; Kai, Tetsuya; Kawamura, Seiko; et al.
Nuclear Instruments and Methods in Physics Research A, 929, p.113 - 120, 2019/06
Times Cited Count：16 Percentile：86.05(Instruments & Instrumentation)A nano-diamond is an attractive neutron reflection material below cold neutron energy. The total neutron cross section of a nano-diamond was derived from a neutron transmission measurement over the neutron energy range of 0.2 meV to 100 meV because total neutron cross section data were not available. The total cross section of a nano-diamond with particle size of approximately 5 nm increased with a decrease in neutron energy to 0.2 meV. It was approximately two orders of magnitude larger than that of graphite at 0.2 meV. The contribution of inelastic scattering to the total cross section was to be shown negligible small at neutron energies of 1.2, 1.5, 1.9, 2.6, and 5.9 meV in the inelastic neutron scattering measurement. Moreover, small-angle neutron scattering measurements of the nano-diamond showed a large scattering cross section in the forward direction for low neutron energies.
Kawamura, Seiko; Takahashi, Ryuta*; Ishikado, Motoyuki*; Yamauchi, Yasuhiro*; Nakamura, Masatoshi*; Ouchi, Keiichi*; Kira, Hiroshi*; Kambara, Wataru*; Aoyama, Kazuhiro*; Sakaguchi, Yoshifumi*; et al.
Journal of Neutron Research, 21(1-2), p.17 - 22, 2019/05
The Cryogenics and Magnets group in the Sample Environment team is responsible for operation of cryostats and magnets for user's experiments at the MLF in J-PARC. We have introduced a top-loading 
He cryostat, a bottom-loading 
He cryostat, a dilution refrigerator insert and a superconducting magnet. The frequency of use of them dramatically becomes higher in these two years, as the beam power and the number of proposal increase. To respond such situation, we have made efforts to enhance performance of these equipment as follows. The He cryostat originally involves an operation software for automatic initial cooling down to the base temperature and automatic re-charge of He. Recently we made an additional program for automatic temperature control with only the sorb heater. Last year, a new outer vacuum chamber of the magnet with an oscillating radial collimator (ORC) was fabricated. The data quality was drastically improved by introducing this ORC so that the magnet can be used even for the inelastic neutron scattering experiments.
Okuchi, Takuo*; Tomioka, Naotaka*; Purevjav, N.*; Shibata, Kaoru
Journal of Applied Crystallography, 51, p.1564 - 1570, 2018/12
Times Cited Count：2 Percentile：20.9(Chemistry, Multidisciplinary)It is demonstrated that quasielastic neutron scattering (QENS) is a novel and effective method to analyse atomic scale hydrogen transport processes occurring within a mineral crystal lattice. The method was previously characterized as sensitive for analysing the transport frequency and distance of highly diffusive hydrogen atoms or water molecules in condensed matter. Here are shown the results of its application to analyse the transport of much slower hydrogen atoms which are bonded into a crystal lattice as hydroxyls. Two types of hydrogen transport process were observed in brucite, Mg(OH) : a jump within a single two-dimensional layer of the hydrogen lattice and a jump into the next nearest layer of it. These transport processes observed within the prototypical structure of brucite have direct implications for hydrogen transport phenomena occurring within various types of oxides and minerals having layered structures.
