N‐Oligo(3‐hydroxybutyrate)‐functionalized polypyrroles: towards bio‐erodible conducting copolymers

New copolymer materials have been prepared by chemical grafting of oligomeric 3‐hydroxybutyric acid (OHB) onto polypyrrole (PPy) derivatives. The influence of grafting density and molecular weight of OHB brushes on the physicochemical properties of prepared copolymers was investigated. PPy substrates were prepared by FeCl₃‐driven oxidative homopolymerization of N‐(2‐carboxyethyl)pyrrole or its copolymerization with pyrrole. The grafting method employed involved controlled anionic polymerization of β‐butyrolactone on pyrrole‐tethered potassium carboxylate active sites. Obtained PPy‐g‐OHB copolymers of varying grafting density and pendant polyester chain length were characterized and the observed structure–property relationships discussed. The impact of real time exposure to phosphate‐buffered saline environment was investigated and the residue products were characterized. Cross‐correlation of spectroscopic, thermal, electrical and elemental analysis data afforded comprehensive evaluation of the structure of prepared materials and their behaviour in hydrolytic medium. Erosion and degradation pathways have been identified, indicating ways to consciously tailor the physicochemical properties of these new biomimetic materials. © 2016 Society of Chemical Industry     

Photoluminescence and energy transfer in transparent glass-ceramics based on GdF3:RE3+ (RE = Tb,Eu) nanocrystals

In the present work,the transparent oxyfluoride glass-ceramic samples containing GdF_3:RE~(3+)(RE=Tb,Eu) nanocrystals(nGCs) were fabricated via controlled heat-treatment of precursor xerogels prepared using a sol-gel method.The formation of GdF_3 nanocrystalline phase from gadolinium(III) trifluoroacetate was verified based on XRD measurements.The average crystal sizes calculated from Scherrer formula were estimated to～10 nm as well as～6 nm for Tb~(3+)-and Eu~(3+)-doped samples,respectively.The optical behavior of prepared sol-gel samples was evaluated based on photoluminescence excitation(PLE) and emission spectra(PL) as well as luminescence decay analysis.Obtained samples exhibit the ~5D_4→~7F_J(J=6-3,Tb~(3+))and the ~5D_0→~7F_J(J=0-4,Eu~(3+)) emission bands recorded within the visible spectral area under excitation at near-UV(393 nm(Eu~(3+)),351,369,378 nm(Tb~(3+))) as well as middle-UV illumination(273 nm(Gd~(3+))).Additionally,based on recorded decay curves,the luminescence lifetimes(τ_m) for the ~5D_4(Tb3+) and the ~5D_0(Eu~(3+))excited states were also evaluated.In general,recorded luminescence spectra and double-exponential character of decay curves for nGCs indicate a successful migration of Tb~(3+) and Eu~(3+) dopant ions from amorphous silicate framework to lowphonon energy GdF_3 nanocrystal phase.     

Biodegradability evaluation of wastewaters from malt and beer production

This study reports results of respirometric measurements of activated sludge biodegrading the substrate in wastewater originating from the following brewery plant production departments: malt house, brewhouse, fermentation house and racking house. The process was conducted at two temperatures: 10 and 20°C with activated sludge adapted to brewery wastewaters. The loading of activated sludge reached 0.25 g chemical oxygen demand per gram dry matter per day, which assured complete degradation of organic matter. The physicochemical characteristics of the wastewaters are provided. The study demonstrates a correlation between the site of wastewater generation, the specific character of a unitary technological process and the quality of the wastewater discharged to the sewage system, including biodegradability. Despite significant differences in the quality of the wastewaters, they were characterized by high biodegradability at a temperature of 10 and 20°C and by the C:N:P ratio being beneficial for biological treatment, irrespective of their source of origin. Copyright © 2013 The Institute of Brewing & Distilling     

Monte Carlo Methods for Volumetric Light Transport Simulation

The wide adoption of path‐tracing algorithms in high‐end realistic rendering has stimulated many diverse research initiatives. In this paper we present a coherent survey of methods that utilize Monte Carlo integration for estimating light transport in scenes containing participating media. Our work complements the volume‐rendering state‐of‐the‐art report by Cerezo et al. [ CPP*05 ]; we review publications accumulated since its publication over a decade ago, and include earlier methods that are key for building light transport paths in a stochastic manner. We begin by describing analog and non‐analog procedures for free‐path sampling and discuss various expected‐value, collision, and track‐length estimators for computing transmittance. We then review the various rendering algorithms that employ these as building blocks for path sampling. Special attention is devoted to null‐collision methods that utilize fictitious matter to handle spatially varying densities; we import two “next‐flight” estimators originally developed in nuclear sciences. Whenever possible, we draw connections between image‐synthesis techniques and methods from particle physics and neutron transport to provide the reader with a broader context.     

Cationic Peptides and Their Cu(II) and Ni(II) Complexes: Coordination and Biological Characteristics

Antimicrobial peptides are a promising group of compounds used for the treatment of infections. In some cases, metal ions are essential to activate these molecules. Examples of metalloantibiotics are, for instance, bleomycin and dermcidin. This study is focused on three new pseudopeptides with potential biological activity. The coordination behavior of all ligands with Cu(II) and Ni(II) ions has been examined. Various analytical methods such as potentiometric titration, UV-Vis and CD spectroscopies, and mass spectrometry were used. All compounds are convenient chelators for metal ion-binding. Two of the ligands tested have histidine residues. Surprisingly, imidazole nitrogen is not involved in the coordination of the metal ion. The N-terminal amino group, Dab side chains, and amide nitrogen atoms of the peptide bonds coordinated Cu(II) and Ni(II) in all the complexes formed. The cytotoxicity of three pseudopeptides and their complexes was evaluated. Moreover, their other model allowed for assessing the attenuation of LPS-induced cytotoxicity and anti-inflammatory activities were also evaluated, the results of which revealed to be very promising.     

Nanoengineered biocomposite tricomponent polymer based matrices for bone tissue engineering

Nanoengineered biodegradable constructs based on synthetic and natural polymers enriched with hydroxyapatite (HA) nanoparticles have been found to mimic the extracellular matrix of bone tissue. The main objective of this study was to create biocomposite nanostructured scaffolds by incorporating collagen and HA nanoparticles into poly(L-lactic acid)-co-poly(?-caprolactone) by electrospinning. The fiber diameter of the composite PLCL/Col and PLCL/Col/HA fibers was smaller compared to PLCL. In vitro biocompatibility of the scaffolds studied using human fetal osteoblasts and EDX analysis showed high deposition of calcium on PLCL/Col/HA. The results shows that PLCL/Col/HA nanofibrous constructs have huge potential as substrates for bone regeneration.     

Extruded tellurite glass optical fiber preforms

The extrusion behavior of tellurite glass in the supercooled liquid region was investigated. Good extrusion formability was observed under low strain rates at various temperatures in the glass transformation region investigated. Tube and holey fiber (HF) preforms were fabricated from tellurite glass billets using a laboratory press. In particular, the results for three-spoke HF design and round tube preforms with composition 75TeO₂·20ZnO·5Na₂O (TZN) are presented. The extruded preforms with precise geometrical features, an excellent surface quality and no crystallization were achieved in the temperatures range from 344 to 360 °C and at ram speeds ranging from 0.002 to 0.01 mm/s. Discrete shear bands were observed in the preforms, increasing in number and/or becoming better defined with increasing load and ram speed. Fewer shear bands were present when increasing the extrusion temperature from 344 to 360 °C. Thus, subsequent extrudates were successfully fabricated free of shear bands, providing good optical homogeneity that yielded solid and holey fibers that could provide much improved optical performance.     

Methods for constraint violation suppression in the numerical simulation of constrained multibody systems – A comparative study

Multibody systems are frequently modeled as constrained systems, and the arising governing equations incorporate the closing constraint equations at the acceleration level. One consequence of accumulation of integration truncation errors is the phenomenon of violation of the lower-order constraint equations by the numerical solutions to the governing equations. The constraint drift usually tends to increase in time and may spoil reliability of the simulation results. In this paper a comparative study of three methods for constraint violation suppression is presented: the popular Baumgarte’s constraint violation stabilization method, a projective scheme for constraint violation elimination, and a novel scheme patterned after that proposed recently by Braun and Goldfarb [D.J. Braun, M. Goldfarb, Eliminating constraint drift in the numerical simulation of constrained dynamical systems, Comput. Meth. Appl. Mech. Engrg., 198 (2009) 3151–3160]. The methods are confronted with respect to simplicity in applications, numerical effectiveness and influence on accuracy of the constraint-consistent motion.     

Surface grain structure evolution in hot rolling of 6061 aluminum alloy

During hot deformation of Al–Mg–Si alloys, a non-uniform microstructure is developed due to differences in localized strain. Physical simulations were performed to examine the effects of processing parameters such as deformation temperature, total reduction, rolling schedule and alloying additions on the grain structure evolution. Overall, the kinetics of recrystallization followed the traditional trends predicted by JMAK kinetics. Electron backscatter diffraction (EBSD) was used to quantify the difference in recrystallization kinetics at the sample surface and mid-thickness. The results showed that the surface showed elevated kinetics when compared to the sample mid-thickness.     

Wetting Behavior and Reactivity of Molten Silicon with h-BN Substrate at Ultrahigh Temperatures up to 1750 °C

For a successful implementation of newly proposed silicon-based latent heat thermal energy storage systems, proper ceramic materials that could withstand a contact heating with molten silicon at temperatures much higher than its melting point need to be developed. In this regard, a non-wetting behavior and low reactivity are the main criteria determining the applicability of ceramic as a potential crucible material for long-term ultrahigh temperature contact with molten silicon. In this work, the wetting of hexagonal boron nitride (h-BN) by molten silicon was examined for the first time at temperatures up to 1750 °C. For this purpose, the sessile drop technique combined with contact heating procedure under static argon was used. The reactivity in Si/h-BN system under proposed conditions was evaluated by SEM/EDS examinations of the solidified couple. It was demonstrated that increase in temperature improves wetting, and consequently, non-wetting-to-wetting transition takes place at around 1650 °C. The contact angle of 90° ± 5° is maintained at temperatures up to 1750 °C. The results of structural characterization supported by a thermodynamic modeling indicate that the wetting behavior of the Si/h-BN couple during heating to and cooling from ultrahigh temperature of 1750 °C is mainly controlled by the substrate dissolution/reprecipitation mechanism.