※ 半角英数字
 年 ~ 
検索結果: 8 件中 1件目~8件目を表示
  • 1


Initialising ...



Initialising ...


Initialising ...


Initialising ...


Initialising ...


Initialising ...


Initialising ...


Initialising ...



Nanoscale relaxation in "Water-in-Salt" and "Water-in-Bisalt" electrolytes

Gonzal$'e$z, M. A.*; Borodin, O.*; 古府 麻衣子; 柴田 薫; 山田 武*; 山室 修*; Xu, K.*; Price, D. L.*; Saboungi, M.-L.*

Journal of Physical Chemistry Letters (Internet), 11(17), p.7279 - 7284, 2020/09

 被引用回数:6 パーセンタイル:81.96(Chemistry, Physical)

"Water-in-salt" (WIS) and "water-in-bisalt" (WIBS) electrolytes have recently been developed for Li-ion batteries. We report Quasielastic Neutron Scattering (QENS) measurements on solutions of a WIS electrolyte at two concentrations, and a WIBS electrolyte at one concentration. The data were Fourier transformed to obtain experimental intermediate scattering functions (ISFs) and compared with corresponding quantities obtained from Molecular Dynamics (MD) simulations. Both QENS and MD ISFs could be fitted well by a single stretched exponential function to obtain apparent translational diffusion coefficients for the water molecules. The QENS values agree well with the MD simulations for the solutions of a WIS electrolyte at two concentrations, but MD simulations predict a slower relaxation of water compared to QENS for the WIBS electrolyte. Comparison of the incoherent and coherent scattering reveals much faster water dynamics compared with structural relaxation of the ionic framework.


Segmental motions of proteins under non-native states evaluated using quasielastic neutron scattering

藤原 悟*; 松尾 龍人*; 杉本 泰伸*; 柴田 薫

Journal of Physical Chemistry Letters (Internet), 10(23), p.7505 - 7509, 2019/12

 被引用回数:0 パーセンタイル:0.01(Chemistry, Physical)

無秩序なポリペプチド鎖のダイナミクスの特性評価は、本質的に無秩序状態なタンパク質およびフォールディングプロセスに関連する非ネイティブ状態下のタンパク質の挙動を解明するために必要である。本研究では、小角X線散乱測定データと動的光散乱測定データと組み合わせて準弾性中性子散乱測定データから、タンパク質のセグメント運動と分子全体の拡散および局所側鎖運動を評価する方法を独自に開発した。そしてこの方法を、非フォールディング状態およびメルトグロビュール(MG)状態のタンパク質RNase Aに適用し、セグメント運動から生じる拡散係数を評価し、非フォールディング状態とMG状態で異なる値をとることを明らかにした。またこの方法で得られた値は、蛍光現象を用いた別の測定技術を使用して得られた値と一致していることも確認できた。これらの研究成果は、この方法の、さまざまな無秩序状態でのタンパク質の挙動を特徴付ける実行可能性だけでなく、有用性も示している。


Dynamic properties of human $$alpha$$-synuclein related to propensity to amyloid fibril formation

藤原 悟*; 河野 史明*; 松尾 龍人*; 杉本 泰伸*; 松本 友治*; 成田 哲博*; 柴田 薫

Journal of Molecular Biology, 431(17), p.3229 - 3245, 2019/08

 被引用回数:3 パーセンタイル:27.91(Biochemistry & Molecular Biology)



Quasielastic neutron scattering of brucite to analyse hydrogen transport on the atomic scale

奥地 拓生*; 豊岡 尚敬*; Purevjav, N.*; 柴田 薫

Journal of Applied Crystallography, 51, p.1564 - 1570, 2018/12


 被引用回数:0 パーセンタイル:0.01(Chemistry, Multidisciplinary)

中性子準弾性散乱(QENS)は、鉱物結晶格子内で起こる原子スケール水素拡散プロセスを分析するための新規かつ有効な方法であることが実証されている。この方法は、凝縮体中の拡散性が高い水素原子または水分子の拡散頻度および距離を分析するために敏感であると以前から考えられていた。本論文では、水酸基として結晶格子に結合している非常に遅い運動の水素原子の拡散運動を分析する応用研究の結果が示されている。ブルーサイト鉱物( brucite)、Mg(OH)$$_{2}$$では、水素原子の単一の二次元層面内でのジャンプとそれに最も近い次の層へのジャンプの2種類の水素拡散プロセスが観察された。ブルーサイトの結晶構造内で観察されるこれらの拡散プロセスは、層状構造を有する様々な種類の酸化物およびミネラル内で起こる水素拡散現象にQENS測定が適用可能であることを示している。


Dynamic properties of nano-confined water in an ionic liquid

阿部 洋*; 山田 武*; 柴田 薫

Journal of Molecular Liquids, 264, p.54 - 57, 2018/08

 被引用回数:8 パーセンタイル:51.6(Chemistry, Physical)

Nano-confined water (a water pocket) was spontaneously formed using an ionic liquid (IL), 1-butyl-3-methylimidazolium nitrate ([C$$_{4}$$mim][NO$$_{3}$$]), in [C$$_{4}$$mim][NO$$_{3}$$]-H$$_{2}$$O and [C$$_{4}$$mim][NO$$_{3}$$]-D$$_{2}$$O mixtures. The static average size of the water pocket in [C$$_{4}$$mim][NO$$_{3}$$]-80 mol% D$$_{2}$$O has been estimated to be around 20${AA}$, determined via small-angle neutron scattering measurements. In this study, the dynamics of the water pocket in the IL were directly examined using incoherent quasielastic neutron scattering. Using the H-D difference of a neutron incoherent scattering cross section, the extent of the diffusion of the water molecules in the water pocket was determined. The water pocket could be characterized due to the slow dynamics of the water compared with those of bulk water.


Dynamical behavior of human $$alpha$$-synuclein studied by quasielastic neutron scattering

藤原 悟; 荒木 克哉*; 松尾 龍人; 八木 寿梓*; 山田 武*; 柴田 薫; 望月 秀樹*

PLOS ONE (Internet), 11(4), p.e0151447_1 - e0151447_17, 2016/04

 被引用回数:18 パーセンタイル:67.4(Multidisciplinary Sciences)

Filamentous aggregates (amyloid fibrils) of the protein $$alpha$$-synuclein ($$alpha$$-Syn) are related to the pathogenesis of Parkinson's disease. To understand the pathogenesis mechanism of this disease, the mechanism of the amyloid fibril formation of $$alpha$$-Syn must be elucidated. As a first step toward this ultimate goal, dynamical behavior of $$alpha$$-Syn in the monomeric and the fibril states was investigated using quasielastic neutron scattering (QENS). Analysis of the QENS spectra of solution samples of $$alpha$$-Syn shows that diffusive global motions are observed in the monomeric state but largely suppressed in the fibril state. However, the amplitude of the side chain motion is shown to be larger in the fibril state than in the monomeric state. This implies that significant solvent space exists within the fibrils, which is attributed to the $$alpha$$-Syn molecules within the fibrils having a distribution of conformations. The larger amplitude of the side chain motion in the fibril state than in the monomeric state implies that the fibril state is entropically favorable.


Direct observation of fast lithium-ion diffusion in a superionic conductor; Li$$_{7}$$P$$_{3}$$S$$_{11}$$ metastable crystal

森 一広*; 延壽寺 啓悟*; 村田 駿*; 柴田 薫; 川北 至信; 米村 雅雄*; 小野寺 陽平*; 福永 俊晴*

Physical Review Applied (Internet), 4(5), p.054008_1 - 054008_6, 2015/11

 被引用回数:22 パーセンタイル:72.73(Physics, Applied)



QENS study of tetrahedron dynamics in the Zn$$_{6}$$Sc 1/1 approximant to the quasicrystal

柴田 薫; 山田 庸公*; de Boissieu, M.*

no journal, , 

We present a detailed study of Quasielastic Neutron Scattering (QENS) due to the tetrahedron dynamic among the order-disorder phase transition occurring at about Tc = 160 K. The QENS measurements have been performed at around Q = 2.67 [1/A] near the (1/2, 11/2, 2) superstructure reflection and for temperatures ranging from 100 K (i.e. below Tc) to 400 K. The QENS experiments were conducted on the DNA time-of-flight type Si analyzer near backscattering spectrometer installed at the MLF, J-PARC. The spectrometer was operated in high-resolution dE mode and at high momentum transfer Q mode, with an instrumental resolution of dE = 12 micro eV using Si311 analyzer. In the measured QENS spectrum, we observed two relaxation processes, not only the fast process which is characterized several 100 micro eV at the full width at FWHM, but also the slow process which is characterized several 10 micro eV at FWHM.

8 件中 1件目~8件目を表示
  • 1