Flexible aliphatic poly(isocyanurate–oxazolidone) resins based on poly(ethylene glycol) diglycidyl ether and 4,4′‐methylene dicyclohexyl diisocyanate

New flexible aliphatic oxazolidone‐isocyanurate networks (AISOX) are obtained by reacting a low molecular weight diisocyanate (4,4′‐methylene dicyclohexyl diisocyanate, H₁₂MDI) and a macro‐diepoxyde (poly(ethylene glycol) diglycidyl ether, M_n = 526, PEGDGE) in different molar ratio. The curing reaction, carried out from 25 °C to 200 °C, is studied by using DSC and FTIR. The effect of the molar ratio of the two monomers on thermal and mechanical properties of AISOX resins is investigated by DSC, thermogravimetric analysis, stress?strain measurements and optical microscopy. Independently from the feed composition, it is observed that the reaction steps are: (i) partial hydrolysis of isocyanate caused by water traces, (ii) incomplete trimerization of isocyanate to give isocyanurate, and (iii) formation of oxazolidone and complete conversion of isocyanate. At the highest concentration of the soft macrodiepoxyde (PEGDGE), the AISOX resin is in the rubbery state at room temperature and shows an elastomeric behavior. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016 , 133, 43404.     

Selenocarbamates As a Prodrug-Based Approach to Carbonic Anhydrase Inhibition

A study on the activity of selenocarbamates as a novel chemotype acting as carbonic anhydrase (CA, EC 4.2.1.1) inhibitors is reported. Undergoing CA-mediated hydrolysis, selenocarbamates release selenolates behaving as zinc binding groups and effectively inhibiting CAs. A series of selenocarbamates characterised by high molecular diversity and complexity have been studied against different human CA isoforms such as hCA I, II, IX and XII. Selenocarbamates behave as masked selenols with potential biological applications as prodrugs for CAs inhibition-based strategies. X-ray studies provided insights into the binding mode of this novel class of CA inhibitors.     

Computational Studies of Smell and Taste Receptors

Smell and taste are among the basic senses with which we perceive the world around us. In addition to enabling recognition of chemical moieties that provide social or nutritional clues, taste and smell receptors are expressed in many extraoral tissues, including the gastrointestinal, respiratory, and reproductive systems. It is, therefore, likely that taste and smell receptors have additional physiological roles, which are currently under intensive study. Most of the taste modalities, as well as olfaction, are mediated by G-protein coupled receptors (GPCRs). Recent breakthroughs in crystallography and signaling studies of GPCRs (celebrated by the 2012 Nobel Prize in Chemistry to Robert Lefkowitz and Brian Kobilka) provide excellent opportunities for applying this information towards furthering our understanding of taste and smell signaling. No crystal structures of odorant or taste receptors are currently available. However, computational techniques, many of which stem from the pioneering contributions of the 2013 Nobel Prize in Chemistry laureates, Martin Karplus, Michael Levitt, and Arieh Warshel, can shed light on the function of taste and olfactory GPCRs. In this review, we highlight examples of iterative combinations of simulation and experiment that were successfully applied toward delineating binding modes of tastants and odorants and toward predicting additional ligands. Further studies are required in order to answer remaining questions regarding receptor promiscuity versus selectivity, the details of receptor coupling to G-proteins, and the roles of oligomerization and of allosteric modulation in taste and smell transduction.     

Sustainable Bioactive Packaging Based on Thermoplastic Starch and Microalgae

This study combines the use of corn starch and Tetradesmus obliquus microalgae for the production of antioxidant starch films as flexible packaging material. Starch was plasticized with glycerol and blended with 1 w% polyallylamine chosen as an agent to modify the film physical properties. The addition of polyallylamine improved film water stability and water vapor transmission rate as well as mechanical stiffness and tenacity. The dried Tetradesmus obliquus microalgae, which showed an EC₅₀ value of 2.8 mg/mg DPPH (2.2-Diphenyl-1-picrylhydrazyl radical), was then used as antioxidant filler. The addition of microalgae provided the films with good antioxidant activity, which increased with microalgae content increasing. To our knowledge, this is the first study reporting the development of sustainable bioactive packaging films composed of almost 100% starch, and follows the European union’s goals on plastics strategy concerning the promotion of bio-based, compostable plastics and the setting up of approaches to prevent food waste with a simple plastic packaging.     

Fining white wine with plant proteins: effects of fining on proanthocyanidins and aroma components

Plant-derived insoluble proteins (wheat gluten, and isolates from pea, lentil, and soybean) were used as fining agents in model white wine (made from Catalanesca grapes) after cold stabilization. Plant proteins were effective in giving a fast and remarkable decrease in turbidity. GC/MS and HPLC/MS approaches indicated that individual proteins had a different impact on the levels of compounds relevant to wine stability. Protein stability of wine was not affected by fining with plant proteins. Lentil proteins and gluten gave the best removal of monomeric and dimeric flavonol. Both caused a decrease in the total content of fermentative aroma compounds, such as ethyl esters, acetate esters, and alcohols. Lentil proteins had the highest impact on the aroma components, giving a marked decrease in aroma components. Gluten may thus be regarded as giving the best balance between fining efficacy and retention of aroma compounds. Also, gluten in the treated wines remained well below the suggested threshold for gluten-free foods. This study provides a methodological frame for thorough characterization of the impact of specific interventions on key wine components.     

A3M: an agent architecture for automated manufacturing

This paper proposes a software architecture based on mobile agents for distributed process control applications. A set of agents is employed to handle, in a single manufacturing cell, automatic assignment of control tasks to controllers, monitoring of cell functionalities and dynamic cell reconfiguration. The agents operate in a two‐layered structure: at the highest level, the planning agents analyse the inputs of the system designer and automatically create the field agents, which operate at the lowest level and embed the control tasks to be executed. Field agents, which are mobile, are able to reach autonomously the controllers of the cell, in order to perform the control activity there. Exploiting the mobility enables a field agent to change its running device when the variation of the design parameters or a system fault requires a new task distribution. A load‐balancing algorithm is introduced, with the objective of assigning each field agent to a controller of the manufacturing cell in order to fairly distribute the computation load. The algorithm uses a branch‐and‐bound technique to explore all possible solutions and applies two heuristics to throw away non‐feasible solutions and select the best branch to analyse. The algorithm is designed to run on‐line in order to allow a fast task redistribution when a fault condition occurs in the process control environment. Copyright © 2008 John Wiley & Sons, Ltd.     

A neutronic evaluation of the (Pu–U) and (Am–Pu–U) insertion in a typical fuel of Angra-I

The goal is to evaluate the neutronic behavior when (Pu–U) and (Am–Pu–U) mixed oxide are inserted in a typical cell of a Pressurized Water Reactor (PWR) such as Angra-I. Four types of fuels were studied: (1) MOX fuel enriched at 3.1% and V_m/V_f = 1.15; (2) MOX fuel enriched at 4.5% and V_m/V_f = 1.15; (3) MOX fuel enriched at 4.5% and V_m/V_f = 2.0 and (4) MOX fuel enriched at 4.5%, with 1% of Americium insertion in its composition (62.8% of Am²⁴¹, 0.1% of Am^242m and 37.1% of Am²⁴³) and with V_m/V_f = 2.0. The first case represents the standard state of Angra I, but with Pu. The second case is similar to the first but the enrichment is increased. To evaluate the Americium insertion, a study of the V_m/V_f was made and better results were obtained with V_m/V_f = 2.0 and to compare, this case was too evaluated to (Pu–U) in the third and fourth cases. The idea is to verify the possibility of using these fuels in Angra-I analyzing neutronic parameters such as infinite multiplication factor, hardening spectrum, Boron worth and reactivity temperature coefficients. The results show that it is possible to use all the studied fuels in Angra-I as well as to burn Am inserted in the MOX fuel by a considerable quantity during PWR operation. The WIMS-D5 code was used to perform a simplified neutronic and burnup simulations to evaluate this possibility.     

Cultural variations in virtual spaces design

This paper reports two studies investigating the role of culture on the design and personalisation of virtual spaces. The first study was a systematic analysis of 60 MSN virtual spaces belonging to British and Chinese students. The analysis concentrated on design patterns and communication style. The second study was an on-line survey designed to compare the relative importance of cultural values and personality traits on self-reported behaviour with, and preferences for, virtual space design. Results highlighted the importance of culture on design and communication in virtual spaces. Implications for interaction design are discussed.