P-[N-(Diphenyl­phospho­rothio­yl)iso­propyl­amino]-N-isopropyl-P-phenyl­thio­phosphinic amide

The title compound, C24H30N2P2S2, was obtained by the reaction of Ph2PN(iPr)P(Ph)N(iPr)H with elemental sulfur in tetra­hydro­furan. In the solid state, intra­molecular N—H⋯S hydrogen bonding influences the mol­ecular conformation; a P—N—P—N torsion angle of 2.28 (9)° is observed. The two phenyl rings attached to one P atom form a dihedral angle of 74.02 (4)°

New launching method for steel bridges based on a self-supporting deck system: FEM and DOE analyses

This paper studies a new launching method for steel bridges based on a self-supporting deck system. This new and patent-protected procedure is able to launch bridges of a span length up to 150 m, in an economical and sustainable way. The use of the last span segments to reinforce the critical sections during launching replaces other conventional temporarymeans applied nowadays. The main objective of this research paper is to numerically analyse the best double deck configuration aswell as to define an approach to stiffener distribution in order to avoid the patch loading phenomenon in the slender webs. With this in mind, the pre-design of a triangular cell along the low flange of each web is presented. A three dimensional finite element model (FEM) is built and the design of experiments technique (DOE) is applied to obtain the best bridge configuration. This newconstructionmethod can be used togetherwith a continuous launching systemin order to increase the velocity of the whole operation and to improve safety during launching. Very good results have been obtained, in terms of deflection, patch loading resistance and vertical load on the pushing device. The comparisonwith other different construction systems and the application to a real case allows us to ensure the viability of the method described.the authors wish to acknowledge the financial support provided by the Spanish Ministry of Science and Innovation with funds from ALCANZA Research Project number IPT-380000-2010-12 and BIA-2012-31609. Both projects have been co-financed with FEDER funds (BIA-2012-31609 and IPT-380000-2010-12), “A Way of Making Europe”

Metabolomic Characterization of Knockout Mutants in Arabidopsis: Development of a Metabolite Profiling Database for Knockout Mutants in Arabidopsis

Despite recent intensive research efforts in functional genomics, the functions of only a limited number of Arabidopsis (Arabidopsis thaliana) genes have been determined experimentally, and improving gene annotation remains a major challenge in plant science. As metabolite profiling can characterize the metabolomic phenotype of a genetic perturbation in the plant metabolism, it provides clues to the function(s) of genes of interest. We chose 50 Arabidopsis mutants, including a set of characterized and uncharacterized mutants, that resemble wild-type plants. We performed metabolite profiling of the plants using gas chromatography-mass spectrometry. To make the data set available as an efficient public functional genomics tool for hypothesis generation, we developed the Metabolite Profiling Database for Knock-Out Mutants in Arabidopsis (MeKO). It allows the evaluation of whether a mutation affects metabolism during normal plant growth and contains images of mutants, data on differences in metabolite accumulation, and interactive analysis tools. Nonprocessed data, including chromatograms, mass spectra, and experimental metadata, follow the guidelines set by the Metabolomics Standards Initiative and are freely downloadable. Proof-of-concept analysis suggests that MeKO is highly useful for the generation of hypotheses for genes of interest and for improving gene annotation. MeKO is publicly available at http://prime.psc.riken.jp/meko/

Post-Franco Theatre

In the multiple realms and layers that comprise the contemporary Spanish theatrical landscape, “crisis” would seem to be the word that most often lingers in the air, as though it were a common mantra, ready to roll off the tongue of so many theatre professionals with such enormous ease, and even enthusiasm, that one is prompted to wonder whether it might indeed be a miracle that the contemporary technological revolution – coupled with perpetual quandaries concerning public and private funding for the arts – had not by now brought an end to the evolution of the oldest of live arts, or, at the very least, an end to drama as we know it

Outcomes from elective colorectal cancer surgery during the SARS-CoV-2 pandemic

This study aimed to describe the change in surgical practice and the impact of SARS-CoV-2 on mortality after surgical resection of colorectal cancer during the initial phases of the SARS-CoV-2 pandemic

Basis set superposition error in atomic cluster calculations

In this work, the basis set superposition error (BSSE) has been analyzed for the systems Cu2, Cu3, Cu6 and Cu13 as prototypes of metallic clusters. Various basis sets have been tested. In addition, pseudopotentials of 1- and 19-valence electrons have also been studied in relationship to the BSSE. The results are conclusive. At the present, it is almost impossible to do an all-electron calculation in transition-metal clusters without great error in basis set superposition, even for clusters of moderate size. The only solution seems to be using pseudopotentials with a carefully chosen basis set

Static dipole polarizabilities through density functional methods

Various density functionals have been tested in calculating atomic and molecular dipole polarizabilities. For atoms, it has been found that the results are not competitive with more sophisticated ab initio methods. Exchange and correlation effects have been analyzed separately to show that the main cause of errors lies in the exchange functional models. Strong numerical evidence is given to support the idea that a right asymptotic behavior of the exchange potential is essential to obtain reliable values for the dipole polarizabilities. In this sense, the hybrid method proposed by Becke (J. Chem. Phys. 1993, 98, 5648) and the phenomenological exchange potential proposed by van Leeuwen and Baerends (Phys. Rev. 1994, A49, 2421), performed much better. For molecules, the comparison is more difficult because of the scarcity of reliable experimental values as well as ab initio calculations including correlation effects. The results have however shown that the bonding effects predominate ove