Discretized hierarchical equations of motion in mixed Liouville-Wigner space for two-dimensional vibrational spectroscopies of liquid water

A model of a bulk water system describing the vibrational motion of intramolecular and intermolecular modes is constructed, enabling analysis of its linear and nonlinear vibrational spectra as well as the energy transfer processes between the vibrational modes. The model is described as a system of four interacting anharmonic oscillators nonlinearly coupled to their respective heat baths. To perform a rigorous numerical investigation of the non-Markovian and nonperturbative quantum dissipative dynamics of the model, we derive discretized hierarchical equations of motion in mixed Liouville–Wigner space, with Lagrange–Hermite mesh discretization being employed in the Liouville space of the intramolecular modes and Lagrange–Hermite mesh discretization and Hermite discretization in the Wigner space of the intermolecular modes. One-dimensional infrared and Raman spectra and two-dimensional terahertz–infrared–visible and infrared–infrared–Raman spectra are computed as demonstrations of the quantum dissipative description provided by our model

Open Quantum Dynamics Theory of Spin Relaxation: Application to μ\muSR and Low-Field NMR Spectroscopies

An open quantum system refers to a system, which is in turn coupled to an environment that can describe time irreversible dynamics through which the system evolves toward the thermal equilibrium state. We present a quantum mechanically rigorous theory in order to help an analysis of spectra obtained from the advanced nuclear magnetic resonance (NMR) and muon spin rotation, relaxation or resonance ($\mu$SR) techniques. Our approach is based on the numerically "exact" hierarchical equations of motion (HEOM) approach, which allows us to study the reduced system dynamics for non-perturbative and non-Markovian system-bath interactions at finite temperature even under strong time-dependent perturbations. We demonstrate the present theory to analyze $\mu$SR and low-field NMR spectra, as an extension of the Kubo-Toyabe theory focusing on the effects of temperature and anisotropy of a local magnetic field, to help further the development of these experimental means.Comment: 6 figure

アクセイ コクショクシュ ト ユウキョク サイボウガン ノ バイヨウ サイボウカブ ニオケル ケラチン センイ ノ メンエキ デンケン

Heretofore, epithelial cells have been considered to be the only source of keratin (K) polypeptides that assemble into 10-nm filaments to form an extensive cytoplasmic network in conjunction with nuclear and cytoplasmic membranes. However, K was recently found to be expressed also in cultured non-epithelial normal and tumor cells: melanocyte, fibroblast, endothelial cell, malignant melanoma, fibrosarcoma, and angiosarcoma. Nevertheless, electron microscopy was incapable of detecting the K filaments (Katagata et al., J Dermatol Sci, 30, 1-9, 2002, see ref. 11). That is, K may present as subunits in each of the cultured cells named above, not as a filament formation. We used squamous cell carcinoma observed with immunoelectron microscopy, a more precise and conclusive technique, to further confirm whether or not K filament is formed in those cultured cells. HaCaT, an immortalizd keratinocyte cell line used as a positive control, yielded elegant immunoelectron microscopic images. Considerable K filament formations existed in malignant melanoma using anti-K or anti-vimentin antibodies, as revealed by the presence of linear immune gold particles on high electron density substances. In the case of squamous cell carcinoma, the gold particles were fewer than those of malignant melanoma. By contrast, no K filaments were detected in the other non-epithelial normal and tumor cell lines: fibroblast, endothelial cell, fibrosarcoma and angiosarcoma. These results suggest that the formation of K filaments in malignant melanoma (and slight presence in squamous cell carcinoma) is a particular and cell-dependent characterization.　Key words: tumor cells, keratins, filament formation, immunoelectron microscop