Dynamical simulations of charged soliton transport in conjugated polymers with the inclusion of electron-electron interactions

We present numerical studies of the transport dynamics of a charged soliton in conjugated polymers under the influence of an external time-dependent electric field. All relevant electron-phonon and electron-electron interactions are nearly fully taken into account by simulating the monomer displacements with classical molecular dynamics (MD) and evolving the wavefunction for the $\pi$ electrons by virtue of the adaptive time-dependent density matrix renormalization group (TDDMRG) simultaneously and nonadiabatically. It is found that after a smooth turn-on of the external electric field the charged soliton is accelerated at first up to a stationary constant velocity as one entity consisting of both the charge and the lattice deformation. An ohmic region (6 mV/$\text{\AA}$ $\leq E_0\leq$ 12 mV/$\text{\AA}$) where the stationary velocity increases linearly with the electric field strength is observed. The relationship between electron-electron interactions and charged soliton transport is also investigated in detail. We find that the dependence of the stationary velocity of a charged soliton on the on-site Coulomb interactions $U$ and the nearest-neighbor interactions $V$ is due to the extent of delocalization of the charged soliton defect.Comment: 25 pages, 15 figure

Reexamining the "finite-size" effects in isobaric yield ratios using a statistical abrasion-ablation model

The "finite-size" effects in the isobaric yield ratio (IYR), which are shown in the standard grand-canonical and canonical statistical ensembles (SGC/CSE) method, is claimed to prevent obtaining the actual values of physical parameters. The conclusion of SGC/CSE maybe questionable for neutron-rich nucleus induced reaction. To investigate whether the IYR has "finite-size" effects, the IYR for the mirror nuclei [IYR(m)] are reexamined using a modified statistical abrasion-ablation (SAA) model. It is found when the projectile is not so neutron-rich, the IYR(m) depends on the isospin of projectile, but the size dependence can not be excluded. In reactions induced by the very neutron-rich projectiles, contrary results to those of the SGC/CSE models are obtained, i.e., the dependence of the IYR(m) on the size and the isospin of the projectile is weakened and disappears both in the SAA and the experimental results.Comment: 5 pages and 4 figure

Temperature changing process of the Hokkaido (Japan) earthquake on 25 September 2003

The paper introduced the model of the additive tectonics stress from celestial tide-generating force. The model can be used to explain the relationship between additive tectonics stress and seismic fault sliding. According to the periodic changes of the additive tectonics stress, the temperature is analyzes based on the temperature data of NCEP (National Centers for Environmental Prediction) which are gathered for a period of time before and after the Hokkaido, Japan earthquake (25 September 2003). It is found that the abnormal increasing of the temperature is significantly associated with the seismic deformation, even if the epicenter was covered by the clouds. The effect of the additive tectonics stress on activities of the fault is to trigger it at a time when the stress level has already reached an advanced stage as indicated by the temperature increase. Based on this model, it is possible to forewarn short-impending earthquakes

Estimating statistical distributions using an integral identity

We present an identity for an unbiased estimate of a general statistical distribution. The identity computes the distribution density from dividing a histogram sum over a local window by a correction factor from a mean-force integral, and the mean force can be evaluated as a configuration average. We show that the optimal window size is roughly the inverse of the local mean-force fluctuation. The new identity offers a more robust and precise estimate than a previous one by Adib and Jarzynski [J. Chem. Phys. 122, 014114, (2005)]. It also allows a straightforward generalization to an arbitrary ensemble and a joint distribution of multiple variables. Particularly we derive a mean-force enhanced version of the weighted histogram analysis method (WHAM). The method can be used to improve distributions computed from molecular simulations. We illustrate the use in computing a potential energy distribution, a volume distribution in a constant-pressure ensemble, a radial distribution function and a joint distribution of amino acid backbone dihedral angles.Comment: 45 pages, 7 figures, simplified derivation, a more general mean-force formula, add discussions to the window size, add extensions to WHAM, and 2d distribution

Time-Dependent Symmetries of Variable-Coefficient Evolution Equations and Graded Lie Algebras

Polynomial-in-time dependent symmetries are analysed for polynomial-in-time dependent evolution equations. Graded Lie algebras, especially Virasoro algebras, are used to construct nonlinear variable-coefficient evolution equations, both in 1+1 dimensions and in 2+1 dimensions, which possess higher-degree polynomial-in-time dependent symmetries. The theory also provides a kind of new realisation of graded Lie algebras. Some illustrative examples are given.Comment: 11 pages, latex, to appear in J. Phys. A: Math. Ge

Local anaesthetic bupivacaine induced ovarian and prostate cancer apoptotic cell death and underlying mechanisms in vitro

Retrospective studies indicate that the use of regional anesthesia can reduce cancer recurrence after surgery which could be due to ranging from immune function preservation to direct molecular mechanisms. This study was to investigate the effects of bupivacaine on ovarian and prostate cancer cell biology and the underlying molecular mechanisms. Cell viability, proliferation and migration of ovarian carcinoma (SKOV-3) and prostate carcinoma (PC-3) were examined following treatment with bupivacaine. Cleaved caspase 3, 8 and 9, and GSK-3β, pGSK-3β(tyr216) and pGSK-3β(ser9) expression were assessed by immunofluorescence. FAS ligand neutralization, caspase and GSK-3 inhibitors and GSK-3β siRNA were applied to further explore underlying mechanisms. Clinically relevant concentrations of bupivacaine reduced cell viability and inhibited cellular proliferation and migration in both cell lines. Caspase 8 and 9 inhibition generated partial cell death reversal in SKOV-3, whilst only caspase 9 was effective in PC-3. Bupivacaine increased the phosphorylation of GSK-3β(Tyr216) in SKOV-3 but without measurable effect in PC3. GSK-3β inhibition and siRNA gene knockdown decreased bupivacaine induced cell death in SKOV-3 but not in PC3. Our data suggests that bupivacaine has direct ‘anti-cancer’ properties through the activation of intrinsic and extrinsic apoptotic pathways in ovarian cancer but only the intrinsic pathway in prostate cancer

Broadband RCS Reduction of Microstrip Patch Antenna Using Bandstop Frequency Selective Surface

In this article, a simple and effective approach is presented to reduce the Radar Cross Section (RCS) of microstrip patch antenna in ultra broad frequency band. This approach substitutes a metallic ground plane of a conventional patch antenna with a hybrid ground consisting of bandstop Frequency Selective Surface (FSS) cells with partial metallic plane. To demonstrate the validity of the proposed approach, the influence of different ground planes on antenna’s performance is investigated. Thus, a patch antenna with miniaturized FSS cells is proposed. The results suggest that this antenna shows 3dB RCS reduction almost in the whole out-of operating band within 1-20GHz for wide incident angles when compared to conventional antenna, while its radiation characteristics are sustained simultaneously. The reasonable agreement between the measured and the simulated results verifies the efficiency of the proposed approach. Moreover, this approach doesn’t alter the lightweight, low-profile, easy conformal and easy manufacturing nature of the original antenna and can be extended to obtain low-RCS antennas with metallic planes in broadband that are quite suitable for the applications which are sensitive to the variation of frequencies