Arrangements on Parametric Surfaces II: Concretizations and Applications

We describe the algorithms and implementation details involved in the concretizations of a generic framework that enables exact construction, maintenance, and manipulation of arrangements embedded on certain two-dimensional orientable parametric surfaces in three-dimensional space. The fundamentals of the framework are described in a companion paper. Our work covers arrangements embedded on elliptic quadrics and cyclides induced by intersections with other algebraic surfaces, and a specialized case of arrangements induced by arcs of great circles embedded on the sphere. We also demonstrate how such arrangements can be used to accomplish various geometric tasks efficiently, such as computing the Minkowski sums of polytopes, the envelope of surfaces, and Voronoi diagrams embedded on parametric surfaces. We do not assume general position. Namely, we handle degenerate input, and produce exact results in all cases. Our implementation is realized using Cgal and, in particular, the package that provides the underlying framework. We have conducted experiments on various data sets, and documented the practical efficiency of our approach.     

Properties of the generalized master equation: Green's functions and probability density functions in the path representation

The Green's function for the master equation and the generalized master equation in path representation is an infinite sum over the length of path probability density functions (PDFs). In this paper, the properties of path PDFs are studied both qualitatively and quantitatively. The results are used in building efficient approximations for Green's function in 1D, and are relevant in modeling and in data analysis.     

Selective bromination of perylene diimides under mild conditions

A novel method for the bromination of perylene diimides, PDI (1), under mild conditions is reported. Variation of the reaction conditions allows mono- and dibromination of PDIs to afford 2 and 3 (these can be separated through standard procedures) or exclusive dibromination to afford 3. Pure 1,7 regioisomers are obtained through repetitive crystallization. The structure of 1,7-3b was elucidated by a single-crystal X-ray analysis. The facility of the bromination reaction, which decreases in the order 1a > 1b > 1c, depends on PDI aggregation propensities. Monobrominated PDIs were utilized for the syntheses of novel unsymmetrical piperidinyl (4a and 4b) and trimethylsilylethynyl derivatives (5a and 5b). Computational studies (DFT) on imide substituent rotation in PDIs reveal that in the case of bulky groups there is a restricted rotation leading to isomers, in agreement with our experimental results. An aromatic core twist in PDIs bearing one and two bromine substituents was also investigated by DFT.     

Multiphase thermoplastic hybrid for controlled release of antimicrobial essential oils in active packaging film

Active packaging, a new technology concept in the field of food packaging, has been introduced in recent years in order to provide quality and safety, as well as extend the shelf life of food products. Antimicrobial (AM) agents can be incorporated directly into the active packaging and migrate in a controlled manner to the headspace between the food and the package, inhibiting bacteria growth on the food surface. Naturally derived AM agent, such as essential oils (EOs), has received considerable attention for food preservation purposes, because of their effective AM activity against various bacteria and fungi. In the present study, AM active film systems based on polypropylene/polyamide blends, montmorillonite nanoclays, and thymol EO were produced to investigate the feasibility of controlling the release rate of thymol from food packaging systems. Selective localization of thymol in a specific phase in the system that derives from thermodynamic affinity was assumed to be useful in controlling its migration rate from the film to the headspace. EO retention in the film under two different time conditions was measured by spectroscopic analysis. The release rate of EO was determined using Gas chromatography technique and analyzed by diffusion model approach. Inhibition of bacterial growth was periodically tested for Listeria and Escherichia coli bacteria. This study confirms the thermodynamic affinity of polyamide phase with thymol that has a positive effect in retaining the EO. Results show controlled AM behavior of the active packaging films, based on various blend compositions. Copyright © 2016 John Wiley & Sons, Ltd.     

Thermal analysis characterization of isosorbide-containing thermosets

Sugar-based new monomers, polymers, and low molar mass additives have emerged as an exciting topic on green chemistry research, due to the worldwide focus on sustainable material. Isosorbide and its isomers, as ??Generally Recognized as Safe?? GRAS materials, possess unique stereochemistry and molecular geometry suitable for making cost-effective chemicals and polymers. With growing awareness of bisphenol A (BPA) as a xenoestrogen, isosorbide and its isomers holding the remarkable chemical properties and attractive price can be attached to glycidyl ether to make crosslinkable epoxy resin monomers with similar properties to BPA diglycidyl ether. By adding the hydrophobic functional group into the backbone of isosorbide epoxy or adjusting the amount and type of crosslinker, the mechanical properties and the water uptake ratios (from <1 to >50?wt%) of the isosorbide-derived epoxies could be optimized for different applications. The high water uptake epoxy with controllable biodegradation rate could be used as a drug delivery system or extracellular matrix for biomedical applications while the low water uptake epoxy with strong mechanical properties could be used for can coatings, bone cements, and other industrial additives and adhesives. The chemical structures and properties of the synthesized epoxy monomers and polymers were characterized by DSC, TG, and ¹H NMR.     

Antimicrobial active packaging combining essential oils mixture: Migration and odor control study

Thymol is an essential oil (EO), known to have excellent antimicrobial (AM) properties and can potentially be used as an active agent in AM food packages. Mixing Thymol with other EOs may help to reduce the organoleptic impact of its strong odor. In the present study, the effect of thymol, carvacrol, citral, and eugenol binary mixtures on the AM activity, migration over time, and sensory properties of polypropylene (PP)/polyamide (PA)/nanoclays composite blends active package (AP) films was examined. The release of different EOs from the polymer film was found to have a direct correlation with the odor perception of thymol. Varied EOs bearing films have shown different capacity to inhibit bacterial growth over time (Escherichia coli). Lastly, the inhibition of fungal growth on food sample using EO‐loaded films was obtained for over 50 days, indicating the potential use of the developed films as active food packaging.     

Activation of nitrous oxide and selective epoxidation of alkenes catalyzed by the manganese-substituted polyoxometalate, [Mn(III)2ZnW(Zn2W9O34)2]10-

A manganese(III)-substituted polyoxometalate of the "sandwich" structure, [MnIII2ZnW(ZnW9O34)2]10-, catalyzed the highly selective (>99.9%) epoxidation of alkenes, such as 1-octene, 2-octene, and cyclohexene with nitrous oxide. Reactions occurred in homogeneous media at 150 degrees C under 1 atm N2O. The epoxidation had a linear reaction profile; turnover frequencies of 0.5-1.4 h-1 were measured. The reactions were also stereoselective; for example, cis-stilbene gave cis-stilbene oxide. From ESR spectroscopy, it was shown that a Mn(II) octahedral species is reversibly formed by reaction between the original Mn(III) polyoxometalate and N2O. Therefore, it would appear that a Mn(V)-oxo active species is not formed; it is possible that the activation of nitrous oxide was by its oxidation by the Mn(III) polyoxometalate.