Understanding thio-effects in simple phosphoryl systems : role of solvent effects and nucleophile charge.

Recent experimental work (J. Org. Chem., 2012, 77, 5829) demonstrated pronounced differences in measured thio-effects for the hydrolysis of (thio)phosphodichloridates by water and hydroxide nucleophiles. In the present work, we have performed detailed quantum chemical calculations of these reactions, with the aim of rationalizing the molecular bases for this discrimination. The calculations highlight the interplay between nucleophile charge and transition state solvation in SN2(P) mechanisms as the basis of these differences, rather than a change in mechanism

Endometriosis: A Rare Cause of Large Bowel Obstruction.

Large bowel obstruction can result in significant morbidity and mortality, especially in cases of acute complete obstruction. There are many possible causes, the most common in adults being colorectal cancer. Endometriosis is a benign disease, and the most affected extragenital location is the bowel, especially the rectosigmoid junction. However, transmural involvement and acute occlusion are very rare events. We report an exceptional case of acute large bowel obstruction as the initial presentation of endometriosis. The differential diagnosis of colorectal carcinoma may be challenging, and this case emphasizes the need to consider intestinal endometriosis in females at a fertile age presenting with gastrointestinal symptoms and an intestinal mass causing complete large bowel obstruction.info:eu-repo/semantics/publishedVersio

Number-Phase Wigner Representation for Efficient Stochastic Simulations

Phase-space representations based on coherent states (P, Q, Wigner) have been successful in the creation of stochastic differential equations (SDEs) for the efficient stochastic simulation of high dimensional quantum systems. However many problems using these techniques remain intractable over long integrations times. We present a number-phase Wigner representation that can be unraveled into SDEs. We demonstrate convergence to the correct solution for an anharmonic oscillator with small dampening for significantly longer than other phase space representations. This process requires an effective sampling of a non-classical probability distribution. We describe and demonstrate a method of achieving this sampling using stochastic weights.Comment: 7 pages, 1 figur

Thermal treatment of superconductor thin film of the BSCCO system using domestic microwave oven

In this work, we report the preparation of a superconductor thin film of the BSCCO system using a good quality powder with nominal composition Bi_{1.8}Pb_{0.4}Sr_2CaCu_2O_x which was thermally treated using a domestic microwave oven (2.45 GHz, 800 W). This film was grew on a single crystal of LaAlO_3(100) substrate and exhibited a crystalline structure with the c-axis perpendicular to the plane of the substrate. An onset superconducting transition temperature was measured at 80 K.Comment: 4 pages, 5 figure

Comment on Bress et al. Effect of Intensive Versus Standard Blood Pressure Treatment According to Baseline Prediabetes Status: A Post Hoc Analysis of a Randomized Trial. Diabetes Care 2017;40:1401-1408.

info:eu-repo/semantics/publishedVersio

The Two-Component Virial Theorem and the Physical Properties of Stellar Systems

Motivated by present indirect evidences that galaxies are surrounded by dark matter halos, we investigate whether their physical properties can be described by a formulation of the virial theorem which explicitly takes into account the gravitational potential term representing the interaction of the dark halo with the barionic or luminous component. Our analysis shows that the application of such a ``two-component virial theorem'' not only accounts for the scaling relations displayed, in particular, by elliptical galaxies, but also for the observed properties of all virialized stellar systems, ranging from globular clusters to galaxy clusters.Comment: 13 pages, 2 figures, LaTeX, corrected few typos. This version matches the published versio