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Molecular Dynamics of the M intermediate of photoactive yellow protein in solution
Sakurai, Minoru,Shiozawa, Mariko,Arai, Shohei,Inoue, Yoshio,Kamiya, Narutoshi,Higo, Junichi Korean Society of Photoscience 2002 Journal of Photosciences Vol.9 No.2
PYP consists of a water-soluble apoprotein and 4-hydroxycinnamyl chromophore bound to Cys69 via thiolester linkage, Upon absorption of a photon, the photocycle is initiated, leading to formation of several photo-intermediates. Among them, M intermediate is important to understand the signal transduction mechanism of PYP, because it is a putative signaling state. As well known, the dynamics of a protein is closely correlated with the occurrence of its function. Here we report the results of IO ns molecular dynamics (MD) simulation for the M intermediate in aqueous solution and discuss the characteristic feature of this state from a viewpoint of structural fluctuation.
Nonlinear Susceptibilities of Gadolinium near Curie Temperature
Takashi Shirane,Shohei Sakurai 한국물리학회 2013 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.62 No.12
The ac linear (X0) and nonlinear (X2) susceptibilities of an elemental ferromagnetic gadoliniumhave been studied at temperatures near the Curie temperature TC to clarify the feature of themagnetic phase transition, with special emphasis on the behavior at temperatures below TC. Thetemperature dependence of X0 is in good agreement with an experimental result reported in severalreferences. The first observation for the critical behavior of X2 in gadolinium has been made atvarious field amplitudes. The behavior of nonlinear susceptibility is very sensitive to the field’samplitude. The temperature dependence of X2 at temperatures below TC is not in agreement withsome theoretical expectations and several experimental results for other ferromagnets.