Biomedical subjects

Hiroshi Fujisaki

Publications and source records attributed to Hiroshi Fujisaki.

6 recordsLinked to original sources

PubMed2006

Efforts toward developing direct probes of protein dynamics.

We report the first IR characterization of a single C-D bond within a protein, methyl-d1 Met80 of horse heart cytochrome c. A comparison was made to methyl-d1/d3 methionine as well as methyl-d3 Met80. We found that for methyl-d1 and the asymmetric stretches of methyl-d3, line widths/line shapes are dominated by inhomogeneous broadening, whereas the symmetric stretch of methyl-d3 has a significant homogeneous component. Vibrational energy relaxation calculations found that a significantly stronger Fermi resonance exists for the symmetric stretch than for the asymmetric stretches, thereby suggesting that a difference in intramolecular vibrational relaxation (IVR) causes the observed line width/line shape difference between the symmetric and asymmetric stretches.

Animals↗

PubMed2006

Time-dependent perturbation theory for vibrational energy relaxation and dephasing in peptides and proteins.

Without invoking the Markov approximation, we derive formulas for vibrational energy relaxation (VER) and dephasing for an anharmonic system oscillator using a time-dependent perturbation theory. The system-bath Hamiltonian contains more than the third order coupling terms since we take a normal mode picture as a zeroth order approximation. When we invoke the Markov approximation, our theory reduces to the Maradudin-Fein formula which is used to describe the VER properties of glass and proteins. When the system anharmonicity and the renormalization effect due to the environment vanishes, our formulas reduce to those derived by and Mikami and Okazaki [J. Chem. Phys. 121, 10052 (2004)] invoking the path-integral influence functional method with the second order cumulant expansion. We apply our formulas to VER of the amide I mode of a small amino-acid like molecule, N-methylacetamide, in heavy water.

Amides↗

PubMed2005

Vibrational energy relaxation in proteins.

An overview of theories related to vibrational energy relaxation (VER) in proteins is presented. VER of a selected mode in cytochrome c is studied by using two theoretical approaches. One approach is the equilibrium simulation approach with quantum correction factors, and the other is the reduced model approach, which describes the protein as an ensemble of normal modes interacting through nonlinear coupling elements. Both methods result in similar estimates of the VER time (subpicoseconds) for a CD stretching mode in the protein at room temperature. The theoretical predictions are in accord with previous experimental data. A perspective on directions for the detailed study of time scales and mechanisms of VER in proteins is presented.

Adenosine Triphosphate↗

PubMed2004

Quantum-"classical" correspondence in a nonadiabatic transition system.

A nonadiabatic transition system which exhibits "quantum chaotic" behavior [H. Fujisaki and K. Takatsuka, Phys. Rev. E 63, 066221 (2001)] is investigated from quasiclassical aspects. Since such a system does not have a naive classical limit, we take the mapping approach [Stock and Thoss, Phys. Rev. Lett. 78, 578 (1997)] to represent the quasiclassical dynamics of the system. We numerically show that there is a sound correspondence between the quantum chaos and classical chaos for the system.

Journal Article↗

PubMed2003

Dynamical aspects of quantum entanglement for weakly coupled kicked tops.

We investigate how the dynamical production of quantum entanglement for weakly coupled, composite quantum systems is influenced by the chaotic dynamics of the corresponding classical system, using coupled kicked tops. The linear entropy for the subsystem (a kicked top) is employed as a measure of entanglement. A perturbative formula for the entanglement production rate is derived. The formula contains a correlation function that can be evaluated only from the information of uncoupled tops. Using this expression and the assumption that the correlation function decays exponentially which is plausible for chaotic tops, it is shown that the increment in the strength of chaos does not enhance the production rate of entanglement when the coupling is weak enough and the subsystems (kicked tops) are strongly chaotic. The result is confirmed by numerical experiments. The perturbative approach is also applied to a weakly chaotic region, where tori and chaotic sea coexist in the corresponding classical phase space, to reexamine a recent numerical study that suggests an intimate relationship between the linear stability of the corresponding classical trajectory and the entanglement production rate.

Journal Article↗

PubMed2002

Saturation of the production of quantum entanglement between weakly coupled mapping systems in a strongly chaotic region.

The production of quantum entanglement between weakly coupled mapping systems, whose classical counterparts are both strongly chaotic, is investigated. In the weak-coupling regime, it is shown that time-correlation functions of the unperturbed systems determine the entanglement production. In particular, we elucidate that the increment of the nonlinear parameter of coupled kicked tops does not accelerate the entanglement production in the strongly chaotic region. An approach to the dynamical inhibition of entanglement is suggested.

Journal Article↗