Catalytic Enantioselective Cyclopropylalkynylation of Aldimines Generated In Situ from α-Amido Sulfones

A convenient procedure of synthesis of N-carbamoyl-protected propargylic amines substituted with a cyclopropyl group from α-amido sulfones and cyclopropylacetylene is described. The reaction is catalyzed by a chiral BINOL-type zinc complex and provides the corresponding products in good yields and enantioselectivities.     

Effects of Two Natural Bisbenzylisoquinolines,Curine and Guattegaumerine,Extracted from Isolona hexaloba on Rhodamine Efflux by Abcb1b from Rat Glycocholic-Acid-Resistant Hepatocarcinoma Cells

To develop new therapeutic molecules, it is essential to understand the biological effects and targets of clinically relevant compounds. In this article, we describe the extraction and characterization of two alkaloids from the roots of Isolona hexaloba—curine and guattegaumerine. The effect of these alkaloids on the multidrug efflux pump ABCB1 (MDR1/P-Glycoprotein) and their antiproliferative properties were studied. Compared to verapamil, a widely used inhibitor of P-gp, curine and guattegaumerine were found to be weak inhibitors of MDR1/P-Glycoprotein. The highest inhibition of efflux produced by verapamil disappeared in the presence of curine or guattegaumerine as competitors, and the most pronounced effect was achieved with curine. Altogether, this work has provided new insights into the biological effects of these alkaloids on the rat Mdr1b P-gp efflux mechanism and would be beneficial in the design of potent P-gp inhibitors.     

Simplified model for mass diffusivity estimation based on dynamic pendant drop volume analysis

We present a simplified correlation for calculating the dissolved gas moles in a pendant drop during the diffusion time, for several drop shapes. After this correlation is determined, the Yang and Gu (Ind Eng Chem Res 44:4474–4483, 2005) dynamic pendant drop volume analysis (DPDVA) method for calculation of mass diffusivity from the pendant drop volume variation against time can be used. We solved the differential equation in cylindrical coordinates for the mass transfer model of the gas diffusion into the liquid inside the pendant drop, using a different characteristic length (L_C), instead of the outer radius of the syringe needle (r_n) used in Yang and Gu (Ind Eng Chem Res 44:4474–4483, 2005) for defining the dimensionless variables. L_C is the relationship between the pendant drop volume and its mass transfer surface area at the initial conditions. The generalized correlation saves time, simplifies the method application and the deviations in the diffusion coefficient calculation respect to the complete Yang and Gu model are below 6%.     

Models for the modern power grid

This article reviews different kinds of models for the electric power grid that can be used to understand the modern power system, the smart grid. From the physical network to abstract energy markets, we identify in the literature different aspects that co-determine the spatio-temporal multilayer dynamics of power system. We start our review by showing how the generation, transmission and distribution characteristics of the traditional power grids are already subject to complex behaviour appearing as a result of the the interplay between dynamics of the nodes and topology, namely synchronisation and cascade effects. When dealing with smart grids, the system complexity increases even more: on top of the physical network of power lines and controllable sources of electricity, the modernisation brings information networks, renewable intermittent generation, market liberalisation, prosumers, among other aspects. In this case, we forecast a dynamical co-evolution of the smart grid and other kind of networked systems that cannot be understood isolated. This review compiles recent results that model electric power grids as complex systems, going beyond pure technological aspects. From this perspective, we then indicate possible ways to incorporate the diverse co-evolving systems into the smart grid model using, for example, network theory and multi-agent simulation.     

Rovibrational dynamics of the RbCs molecule in static electric fields. Classical study

We study the classical dynamics of the RbCs molecule in the presence of a static electric field. Under the Born–Oppenheimer approximation, we perform a rovibrational investigation which includes the interaction of the field with the molecular polarizability. The stability of the equilibrium points and the phase space structure of the system are explored in detail. We find that, for strong electric fields or for energies close to the dissociation threshold, the molecular polarizability causes relevant effects on the system dynamics.