The predicted crystal structure of Li_4C_6O_6, an organic cathode material for Li-ion batteries, from first-principles multi-level computational methods

In this communication, we use first-principles based multi-level computational methods to predict the crystal structure of Li_4C_6O_6, the key intermediate material that can be oxidized to Li_2C_6O_6 or reduced to Li_6C_6O_6. This predicted structure leads to an X-ray diffraction (XRD) pattern in good agreement with experiment, validating the predicted structure. With this structure in hand one can proceed to determine details for the electrochemical properties of these organic electrodes (chemical potential for Li ion as a function of loading and the mechanism for the lithiation/delithiation process) useful in designing optimum systems

Homeoprotein Hbx4 represses adhesion molecule governing cytokinesis and development

Homeobox genes encode proteins with a highly conserved DNA-binding motif and provoke morphological diversification of body segments by differentially controlling the expression of downstream targets. Here, we have identified _hbx4_, one of many homeobox genes in _Dictyostelium discoideum_ and investigated its role during growth and development. In suspension, Hbx4-overexpressing cells, Hbx4^OE^, showed defects in cytokinesis and growth rate. During development, Hbx4^OE^ and _hbx4_-disrupting cells, _hbx4¯_ made differences in shape of mound and slug, cell-type proportioning from wild type KAx3 cells. These phenotypes were similar to those of mutant defective in _cadA_ encoding Ca^2+^-dependent cell adhesion molecule so that we investigated the relationship between _hbx4_ and _cadA_. Overexpression of Hbx4 inhibited the expression of _cadA_ and cAMP also failed to stimulate _cadA_ in Hbx4^OE^. Furthermore, gel mobility shift assay showed the promoter of _cadA_ contained Hbx4-binding site, indicating Hbx4 negatively regulates the expression of _cadA_. Proteome analysis revealed that overexpression of Hbx4 repressed the _rdiA_ and _abpB_ encoding rho guanine nucleotide dissociation inhibitor1, RhoGDI1 and actin bundling protein 34, ABP34, respectively. And the overexpression of _cadA_ in Hbx4^OE^ cells rescued the defects and increased mRNA level of _rdiA_, _abpB_ and one of Rho GTPase, _rac1b_. These results suggested that Hbx4 can modulate cytokinesis, cell sorting and cell-type proportioning by repressing _cadA_ that regulates GTPase-dependent signaling pathway

[Benz­yl(2-pyridyl­methyl­idene)amine]­dichloridomercury(II)

The HgII ion in the title complex, [HgCl2(C13H12N2)], adopts a distorted tetra­hedral geometry being coordinated by two Cl anions and by two N atoms of the benz­yl(2-pyridyl­methyl­ene)amine ligand. The Cl—Hg—Cl plane is twisted at 70.1 (1)° from the mean plane of the chelate ring. In the crystal structure, inter­molecular π–π inter­actions [centroid–centroid distance = 3.793 (3) Å] between the aromatic rings link the mol­ecules into zigzag chains extending along [010]

Temperature-dependent evolutions of excitonic superfluid plasma frequency in a srong excitonic insulator candidate, Ta2_2NiSe5_5

We investigate an interesting anisotropic van der Waals material, Ta$_{2}$NiSe$_{5}$, using optical spectroscopy. Ta$_{2}$NiSe$_{5}$ has been known as one of the few excitonic insulators proposed over 50 years ago. Ta$_{2}$NiSe$_{5}$ has quasi-one dimensional chains along the $a$-axis. We have obtained anisotropic optical properties of a single crystal Ta$_{2}$NiSe$_{5}$ along the $a$- and $c$-axes. The measured $a$- and $c$-axis optical conductivities exhibit large anisotropic electronic and phononic properties. With regard to the $a$-axis optical conductivity, a sharp peak near 3050 cm$^{-1}$ at 9 K, with a well-defined optical gap ($\Delta^{EI} \simeq$ 1800 cm$^{-1}$) and a strong temperature-dependence, is observed. With an increase in temperature, this peak broadens and the optical energy gap closes around $\sim$325 K($T_c^{EI}$). The spectral weight redistribution with respect to the frequency and temperature indicates that the normalized optical energy gap ($\Delta^{EI}(T)/\Delta^{EI}(0)$) is $1-(T/T_c^{EI})^2$. The temperature-dependent superfluid plasma frequency of the excitonic condensation in Ta$_{2}$NiSe$_{5}$ has been determined from measured optical data. Our findings may be useful for future research on excitonic insulators.Comment: 17 pages, 5 figure

Andro-Simnet: Android Malware Family Classification Using Social Network Analysis

While the rapid adaptation of mobile devices changes our daily life more conveniently, the threat derived from malware is also increased. There are lots of research to detect malware to protect mobile devices, but most of them adopt only signature-based malware detection method that can be easily bypassed by polymorphic and metamorphic malware. To detect malware and its variants, it is essential to adopt behavior-based detection for efficient malware classification. This paper presents a system that classifies malware by using common behavioral characteristics along with malware families. We measure the similarity between malware families with carefully chosen features commonly appeared in the same family. With the proposed similarity measure, we can classify malware by malware's attack behavior pattern and tactical characteristics. Also, we apply a community detection algorithm to increase the modularity within each malware family network aggregation. To maintain high classification accuracy, we propose a process to derive the optimal weights of the selected features in the proposed similarity measure. During this process, we find out which features are significant for representing the similarity between malware samples. Finally, we provide an intuitive graph visualization of malware samples which is helpful to understand the distribution and likeness of the malware networks. In the experiment, the proposed system achieved 97% accuracy for malware classification and 95% accuracy for prediction by K-fold cross-validation using the real malware dataset.Comment: 13 pages, 11 figures, dataset link: http://ocslab.hksecurity.net/Datasets/andro-simnet , demo video: https://youtu.be/JmfS-ZtCbg4 , In Proceedings of the 16th Annual Conference on Privacy, Security and Trust (PST), 201