Block Copolymers From Living Emulsion Polymerization: Reactor Operating Strategies and Blocking Efficiency

Diblock copolymers are generated using xanthate‐based RAFT agents in conjunction with emulsion polymerization via stage‐wise operations. First, emulsion polymerization is conducted for styrene, methyl acrylate, and butyl acrylate monomers to obtain polymers of specified molar mass. At the second stage, polymers undergo chain extension to produce block copolymers. Linear growth of molecular weight with respect to conversion establishes the living characteristics of the process. Under batch conditions, partly homopolymers are produced. Semi‐batch operation produces copolymers of higher purity with low polydispersity. The choice of blocking sequence is crucial for reducing the influence of the terminated chains on the distribution sequence of copolymers produced.

     

Parallel implementation of a Monte Carlo molecular stimulation program

Molecular simulation methods such as molecular dynamics and Monte Carlo are fundamental for the theoretical calculation of macroscopic and microscopic properties of chemical and biochemical systems. These methods often rely on heavy computations, and one sometimes feels the need to run them in powerful massively parallel machines. For moderate problem sizes, however, a not so powerful and less expensive solution based on a network of workstations may be quite satisfactory. In the present work, the strategy adopted in the development of a parallel version is outlined, using the message passing model, of a molecular simulation code to be used in a network of workstations. This parallel code is the adaptation of an older sequential code using the Metropolis Monte Carlo method. In this case, the message passing interface was used as the interprocess communications library, although the code could be easily adapted for other message passing systems such as the parallel virtual machine. For simple systems it is shown that speedups of 2 can be achieved for four processes with this cheap solution. For bigger and more complex simulated systems, even better speedups might be obtained, which indicates that the presented approach is appropriate for the efficient use of a network of workstations in parallel processing.     

Fermions on deformed thick branes

In this work we investigate the issue of fermion localization and resonances in (4,1)-deformed branes constructed with one scalar field coupled with gravity. Such models provide us branes with internal structures that turns the gravitational interaction more effective for fermions aside the brane, increasing their lifetime. The coupling between the scalar field and spinors is a necessary condition for fermions to be localized on such branes. After performing a chiral decomposition of the five-dimensional spinor we found resonances with both chiralities. The correspondence between the spectra for left and right chirality is guaranteed and Dirac fermions are realized on the brane.     

1H and 13C NMR analysis of 2‐acetamido‐3‐mercapto‐3‐methyl‐N‐aryl‐butanamides and 2‐acetamido‐3‐methyl‐3‐nitrososulfanyl‐N‐aryl‐butanamide derivatives

The complete assignment of the ¹H and ¹³C NMR spectra of various 2‐acetamido‐3‐mercapto‐3‐methyl‐N‐aryl‐butanamides and 2‐acetamide‐3‐methyl‐3‐nitrososulfanyl‐N‐aryl‐butanamides with p‐methoxy, o‐chloro and m‐chloro substituents is reported. Copyright © 2013 John Wiley & Sons, Ltd.     

Immobilized ruthenium complexes and aspects of their reactivity

Methodologies for the immobilization and characterization of ruthenium complexes into/onto functionalized silica gel, zeolites, polymers, dendrimers, sol–gel, nano and microparticles are described. The corresponding spectroscopic, electrochemical, and photochemical properties as well as chemical reactivities are used for their characterization and study. Comparison between the reactivities of immobilized and in solution species is presented. Some biological applications are also described.     

Performance of textile and building materials for a particular evaporative cooling purpose

High energy demand associated to the massive use of air conditioning systems requires careful consideration of passive cooling strategies, with evaporative cooling being recognized as a useful possibility for that purpose. One important factor that influences the performance of evaporative cooling systems is the media material that supports water evaporation process. In this work evaporative cooling capabilities of different building and textile materials were experimentally determined. The major purpose of the study was to select an evaporative cooling material to be used in a more complex passive cooling unit under research development. A test tunnel was constructed for this particular work and the behavior of several samples was analyzed. Results show that among the studied materials a polyester spacer fabric with honeycomb structure presents best performance.     

Differentiation of strawberry varieties through purge-and-trap HRGC-MS,HRGC-FTIR and principal component analysis

The aroma composition of three different Fragaria anannassa cul-tivars Selva, Chandler, and Osso Grande) is studied by purge-and-trap HRGC and the components identified by MRGC-MS and HRGC-FTIR. The chromatographic aroma profiles from four different maturation stages in each variety are compared and the similarities accessed by principal component analysis (PCA). The contents in n-hexanal and hex-2(Z)-enal are characteristic features of the green stage in the three varieties where the content differences in methyl, ethyl, and butyl acetates act as typifying variables among varieties. Ethyl acetate acts as an important differentiation variable for the Selva variety. In the mature stage, the three cultivars may be distinguished from each other through their relative contents of methyl and ethyl 2-methylbutyrate (Selva), methyl 2-methyl-butyrate, methyl butyrate (Chandler), methyl and ethyl butyrates, and methyl caproate (Osso Grande).     

Bounded rational expectations and the stability of interest rate policy

The New Keynesian model has recently been subject to two serious criticisms: the model cannot produce plausible inflation and output dynamics following a monetary shock, and the stability of its dynamics suffers from indeterminacy. The procedures that have been proposed to eliminate these two shortcomings fall into two categories: the introduction of some sort of backward price indexation into the standard model and/or other forms of stickiness (like sticky information); and the adoption of some form of policy rule that completely offsets the effects of forward looking dynamics in the optimization process. In this paper we do not eradicate forward looking behavior from the dynamics of the New Keynesian model, neither do we impose some form of backward price indexation. We assume that private economic agents have forward looking behavior and that they do try to optimize with all available information; the only novelty is that they are allowed to make small mistakes near the rational expectations equilibrium, in a fully deterministic setup. These “near rational” or “bounded rational” expectations show that the dynamics of the model with active interest rate rules is much richer than the simple problem of local indeterminacy as is usually found in the literature.     

An efficient synthesis of 3‐hydroxychromone using niobium pentachloride

A new and efficient 2‐step synthesis of 3‐hydroxychromone is described. Commercially available chromone is converted to the corresponding epoxide which is rearranged with niobium pentachloride to 3‐hydroxychromone in 61% overall yield.