Evolution of gold nanoparticle clusters in living cells studied by sectional dark-field optical microscopy and chromatic analysis.

The evolution of gold nanoparticle (Au NP) clusters in living cells are studied by using sectional dark-field optical microscopy and chromatic analysis approach. During endocytosis, Au NP clusters undergo fantastic color changes, from green to yellow-orange due to the plasmonic coupling effect. Analysis of brightness/hue values of the dark-field images helps estimate the numbers of Au NPs in the clusters.

K+ binding in the G-loop and water cavity facilitates Ba2+ movement in the Kir2.1 channel.

K+ are selectively coordinated in the selectivity filter and concerted K+ and water movements in this region ensure high conduction rates in K+ channels. In channels with long pores many K+ binding sites are located intracellular to the selectivity filter (inner vestibule), but their contribution to permeation has not been well studied. We investigated this phenomenon by slowing the ion permeation process via blocking inwardly rectifying Kir2.

Algorithmic decoherence time for decay-of-mixing non-Born-Oppenheimer dynamics.

The performance of an analytical expression for algorithmic decoherence time is investigated for non-Born-Oppenheimer molecular dynamics. There are two terms in the function that represents the dependence of the decoherence time on the system parameters; one represents decoherence due to the quantum time-energy uncertainty principle and the other represents a back reaction from the decoherent force on the classical trajectory. We particularly examine the question of whether the first term should dominate.

Theory of time-resolved sum-frequency generation and its applications to vibrational dynamics of water.

A molecular theory of time-resolved sum-frequency generation (SFG) has been developed. The theoretical framework is constructed using the coupled-oscillator model in the adiabatic approximation. This theory can treat not only the vibrational spectroscopy but also vibrational dynamics.

Calculation of the vibrationally non-relaxed photo-induced electron transfer rate constant in dye-sensitized solar cells.

In this paper we shall show how to calculate the single vibronic-level electron-transfer rate constant, which will be compared with the thermal averaged one. To apply the theoretical results to the dye-sensitized solar cells, we use a simple model to describe how we model the final state of the electron-transfer process. Numerical calculations will be performed to demonstrate the theoretical results.

Theoretical treatments of ultrafast electron transfer from adsorbed dye molecule to semiconductor nanocrystalline surface.

In studying ultrafast electron transfer from a dye molecule to a nanosized semiconductor particle, pump-probe experiments are commonly used. In this system the electron transfer (ET) rate is faster than vibrational relaxation so that the ET rate should be described by a single-level rate constant and the probing signal (often in the form of time-resolved spectra) contains the contribution from the dynamics of both population and coherence (i.e.

Free-energy analysis of solubilization in micelle.

A statistical-mechanical treatment of the solubilization in micelle is presented in combination with molecular simulation. The micellar solution is viewed as an inhomogeneous and partially finite, mixed solvent system, and the method of energy representation is employed to evaluate the free-energy change for insertion of a solute into the micelle inside with a realistic set of potential functions. Methane, benzene, and ethylbenzene are adopted as model hydrophobic solutes to analyze the solubilization in sodium dodecyl sulfate micelle.