Molecular and Genetic Determinants of Glioma Cell Invasion.

A diffusely invasive nature is a major obstacle in treating a malignant brain tumor, "diffuse glioma", which prevents neurooncologists from surgically removing the tumor cells even in combination with chemotherapy and radiation. Recently updated classification of diffuse gliomas based on distinct genetic and epigenetic features has culminated in a multilayered diagnostic approach to combine histologic phenotypes and molecular genotypes in an integrated diagnosis. However, it is still a work in progress to decipher how the genetic aberrations contribute to the aggressive nature of gliomas including their highly invasive capacity. Here we depict a set of recent discoveries involving molecular genetic determinants of the infiltrating nature of glioma cells, especially focusing on genetic mutations in receptor tyrosine kinase pathways and metabolic reprogramming downstream of common cancer mutations. The specific biology of glioma cell invasion provides an opportunity to explore the genotype-phenotype correlation in cancer and develop novel glioma-specific therapeutic strategies for this devastating disease

Time domain Einstein-Podolsky-Rosen correlation

We experimentally demonstrate creation and characterization of Einstein-Podolsky-Rosen (EPR) correlation between optical beams in the time domain. The correlated beams are created with two independent continuous-wave optical parametric oscillators and a half beam splitter. We define temporal modes using a square temporal filter with duration $T$ and make time-resolved measurement on the generated state. We observe the correlations between the relevant conjugate variables in time domain which correspond to the EPR correlation. Our scheme is extendable to continuous variable quantum teleportation of a non-Gaussian state defined in the time domain such as a Schr\"odinger cat-like state.Comment: 4 pages, 4 figure

Photoisomerization of Stilbene: A Spin-Flip Density Functional Theory Approach

The photoisomerization process of 1,2-diphenylethylene (stilbene) is investigated using the spin-flip density functional theory (SFDFT), which has recently been shown to be a promising approach for locating conical intersection (CI) points (Minezawa, N.; Gordon, M. S. J. Phys. Chem. A2009, 113, 12749). The SFDFT method gives valuable insight into twisted stilbene to which the linear response time-dependent DFT approach cannot be applied. In contrast to the previous SFDFT study of ethylene, a distinct twisted minimum is found for stilbene. The optimized structure has a sizable pyramidalization angle and strong ionic character, indicating that a purely twisted geometry is not a true minimum. In addition, the SFDFT approach can successfully locate two CI points: the twisted-pyramidalized CI that is similar to the ethylene counterpart and another CI that possibly lies on the cyclization pathway of cis-stilbene. The mechanisms of the cis–trans isomerization reaction are discussed on the basis of the two-dimensional potential energy surface along the twisting and pyramidalization angles

Towards a realistic estimation of the powering performance of a ship with a gate rudder system

This paper presents an investigation on the scale effects associated with the powering performance of a Gate Rudder System (GRS) which was recently introduced as a novel energy-saving propulsion and maneuvring device. This new system was applied for the first time on a 2400 GT domestic container ship, and full-scale sea trials were conducted successfully in Japan, in 2017. The trials confirmed the superior powering and maneuvring performance of this novel system. However, a significant discrepancy was also noticed between the model test-based performance predictions and the full-scale measurements. The discrepancy was in the power-speed data and also in the maneuvring test data when these data were compared with the data of her sister container ship which was equipped with a conventional flap rudder. Twelve months after the delivery of the vessel with the gate rudder system, the voyage data revealed a surprisingly more significant difference in the powering performance based on the voyage data. The aim of this paper, therefore, is to take a further step towards an improved estimation of the powering performance of ships with a GRS with a specific emphasis on the scale effect issues associated with a GRS. More specifically, this study investigated the scale effects on the powering performance of a gate rudder system based on the analyses of the data from two tank tests and full-scale trials with the above-mentioned sister ships. The study focused on the corrections for the scale effects, which were believed to be associated with the drag and lift characteristics of the gate rudder blades due to the low Reynolds number experienced in model tests combined with the unique arrangement of this rudder and propulsion system. Based on the appropriate semi-empirical approaches that support model test and full-scale data, this study verified the scale effect phenomenon and presented the associated correction procedure. Also, this study presented an enhanced methodology for the powering performance prediction of a ship driven by a GRS implementing the proposed scale effect correction. The predicted powering performance of the subject container vessel with the GRS presented an excellent agreement with the full-scale trials data justifying the claimed scale effect and associated correction procedure, as well as the proposed enhanced methodology for the practical way of predicting the powering performance of a ship with the GRS

Optimizing Conical Intersections of Solvated Molecules: The Combined Spin-Flip Density Functional Theory/Effective Fragment Potential Method

Solvent effects on a potential energy surface crossing are investigated by optimizing a conical intersection (CI) in solution. To this end, the analytic energy gradient has been derived and implemented for the collinear spin-flip density functional theory (SFDFT) combined with the effective fragment potential (EFP) solvent model. The new method is applied to the azomethane-water cluster and the chromophore of green fluorescent protein in aqueous solution. These applications illustrate not only dramatic changes in the CI geometries but also strong stabilization of the CI in a polar solvent. Furthermore, the CI geometries obtained by the hybrid SFDFT/EFP scheme reproduce those by the full SFDFT, indicating that the SFDFT/EFP method is an efficient and promising approach for understanding nonadiabatic processes in solution

Excited-State Hydrogen Atom Transfer Reaction in Solvated 7-Hydroxy-4-methylcoumarin

Excited-state enol to keto tautomerization of 7-hydroxy-4-methylcoumarin (C456) with three water molecules (C456:3H2O), is theoretically investigated using time-dependent density functional theory (TDDFT) combined with the polarizable continuum model and 200 waters explicitly modeled with the effective fragment potential. The tautomerization of C456 in the presence of three water molecules is accompanied by an asynchronous quadruple hydrogen atom transfer reaction from the enol to the keto tautomer in the excited state. TDDFT with the PBE0 functional and the DH(d,p) basis set is used to calculate the excited-state reaction barrier height, absorption (excitation), and fluorescence (de-excitation) energies. These results are compared with the available experimental and theoretical data. In contrast to previous work, it is predicted here that the coumarin 456 system undergoes a hydrogen atom transfer, not a proton transfer. The calculated reaction barrier of the first excited state of C456:3H2O with 200 water molecules is found to be −0.23 kcal/mol without zero-point energy (−5.07 kcal/mol with zero point energy, i.e., the activation energy)