First-principles investigation of transient current of molecular devices by using complex absorbing potential

Based on the non-equilibrium Green's function (NEGF) coupled with density function theory (DFT), namely, NEGF-DFT quantum transport theory, we propose an efficient formalism to calculate the transient current of molecular devices under a step-like pulse from first principles. By combining NEGF-DFT with the complex absorbing potential (CAP), the computational complexity of our formalism (NEGF-DFT-CAP) is proportional to \emph{O}(N) where $N$ is the number of time steps in the time-dependent transient calculation. Compared with state-of-the-art algorithm of first principles time-dependent calculation that scales with at least $N^2$, this order N technique drastically reduces the computational burden making it possible to tackle realistic molecular devices. To ensure the accuracy of our method, we carry out the benchmark calculation compared with exact NEGF-TDDFT formalism and they agree well with each other. As an illustration, we investigate the transient current of molecular device Al-C$_3$-Al from first principles

PPM1D phosphatase, a target of p53 and RBM38 RNA-binding protein, inhibits p53 mRNA translation via dephosphorylation of RBM38.

PPM1D phosphatase, also called wild-type p53-induced phosphatase 1, promotes tumor development by inactivating the p53 tumor suppressor pathway. RBM38 RNA-binding protein, also called RNPC1 and a target of p53, inhibits p53 messenger RNA (mRNA) translation, which can be reversed by GSK3 protein kinase via phosphorylation of RBM38 at serine 195. Here we showed that ectopic expression of RBM38 increases, whereas knockdown of RBM38 inhibits, PPM1D mRNA translation. Consistent with this, we found that RBM38 directly binds to PPM1D 3'-untranslated region (3'-UTR) and promotes expression of a heterologous reporter gene that carries PPM1D 3'-UTR in a dose-dependent manner. Interestingly, we showed that PPM1D directly interacts with and dephosphorylates RBM38 at serine 195. Furthermore, we showed that PPM1D modulates p53 mRNA translation and p53-dependent growth suppression through dephosphorylation of RBM38. These findings provide evidence that the crosstalk between PPM1D and RBM38, both of which are targets and modulators of p53, has a critical role in p53 expression and activity

A general framework for stochastic traveling waves and patterns, with application to neural field equations

In this paper we present a general framework in which to rigorously study the effect of spatio-temporal noise on traveling waves and stationary patterns. In particular the framework can incorporate versions of the stochastic neural field equation that may exhibit traveling fronts, pulses or stationary patterns. To do this, we first formulate a local SDE that describes the position of the stochastic wave up until a discontinuity time, at which point the position of the wave may jump. We then study the local stability of this stochastic front, obtaining a result that recovers a well-known deterministic result in the small-noise limit. We finish with a study of the long-time behavior of the stochastic wave.Comment: 43 pages, 3 figure

Chiral geometry and rotational structure for 130^{130}Cs in the projected shell model

The projected shell model with configuration mixing for nuclear chirality is developed and applied to the observed rotational bands in the chiral nucleus $^{130}$Cs. For the chiral bands, the energy spectra and electromagnetic transition probabilities are well reproduced. The chiral geometry illustrated in the $K~plot$ and the $azithumal~plot$ is confirmed to be stable against the configuration mixing. The other rotational bands are also described in the same framework