Computational screening of metal‐organic frameworks for xenon/krypton separation

A variety of metal‐organic frameworks (MOFs) with varying linkers, topologies, pore sizes, and metal atoms were screened for xenon/krypton separation using grand canonical Monte Carlo (GCMC) simulations. The results indicate that small pores with strong adsorption sites are desired to preferentially adsorb xenon over krypton in multicomponent adsorption. However, if the pore size is too small, it can significantly limit overall gas uptake, which is undesirable. Based on our simulations, MOF‐505 was identified as a promising material due to its increased xenon selectivity over a wider pressure range compared with other MOFs investigated. © 2010 American Institute of Chemical Engineers AIChE J, 2011     

Cellular polypropylene‐based piezoelectric films

Cellular polypropylene‐calcium carbonate based piezoelectric films were obtained using biaxial stretching and gas‐mediated inflation followed by a corona discharge treatment using home‐made devices. The obtained results revealed a cellular structure that develops at the interface between the solid particles and the polymer matrix and the final piezoelectric coefficient was found to depend both on the gas pressure profile and on time. The inflation step gives better results when the gas pressure is increased in stepwise manner allowing the gas to adequately intrude the cavities and maintain the required pressure. The overall results are discussed in terms of processing conditions and in terms of the developed microstructure. POLYM. ENG. SCI., 2012. © 2012 Society of Plastics Engineers     

Thermophysical properties of foliated graphite/nickel reinforced polyvinyl chloride nanocomposites

A novel, polymer‐based foliated graphite/nickel nanocomposites with high thermal conductivity, mechanical properties, and low dielectric constant was developed. The network structure of polyvinyl chloride (PVC) reinforced foliate graphite and nickel nanoparticles (GN) were tested in terms of X‐ray diffraction (XRD), scanning electron microscope (SEM), energy dispersive x‐ray analysis (EDX), and thermal‐gravimetric analyses (TGA). Thermogravimetric analysis revealed a large improvement in the thermal stability of PVC/GN nanocomposites. Thermal conductivity and diffusivity of the composites increased with increasing GN content and temperature. The obtained experimental thermal conductivity result are compared with the existing theoretical models. The measured values of thermal conductivity were in excellent agreement with those calculated from the Agari model. In addition, specific heat, coefficient of thermal expansion (TEC), micro porosity, and crosslinking density (CLD) of composites were investigated. The mechanical properties such as tensile strength, tensile modulus, hardness, and elongation at break of the nanocomposites were improved with inclusion GN which is proportional to GN content. Finally, the dielectric properties of PVC/GN nanocomposites as a function of frequency have been investigated in details. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012     

A cathode support structure for use in a magnetron oscillator experiment

A low temperature co-fired ceramic (LTCC) material system has been used to develop a protype field emission cathode structure for use in an experimental magnetron oscillator. The structure is designed for used with 30 gated field emission array (GFEA) die electrically connected through silver metal traces and electrical vias. To approximate a cylinder, the cathode structure (48 mm long and 13.7 mm in diameter) is comprised of 10 faceted plates which cover the GFEA dies. Slits in the facet plates allow electron injection. The GFEA die (3 mm × 8 mm) are placed in axial columns of 3 and spaced azimuthally around a cylindrical support structure in a staggered configuration resulting in 10 azimuthal locations. LTCC manufacturing techniques were developed in order to fabricate the newly designed cathode with seven layers wrapped to form the cylinder with electrical traces and vias. Two different cathode wrapping techniques and two different via filling techniques were studied and compared. Two different facet plate manufacturing techniques were studied. Finally, four different support stand configurations for firing the cylindrical structure were also compared with a square post stand having the best circularity and linearity measurements of the fired structure.     

Reduced Dendritic Cells Expressing CD200R1 in Children with Inflammatory Bowel Disease: Correlation with Th17 and Regulatory T Cells

Loss of tolerance of the adaptive immune system towards indigenous flora contributes to the development of inflammatory bowel diseases (IBD). Defects in dendritic cell (DC)-mediated innate and adoptive immune responses are conceivable. The aim of this study was to investigate the expression of the inhibitory molecules CD200R1 and their ligand CD200 on DCs, to clarify the role of the DCs in the pathogenesis of IBD. Thirty-seven pediatric IBD patients (23 with Crohn’s disease (CD) and 14 with ulcerative colitis (UC)) with mean age 13.25 ± 2.9 years were included. Fourteen age-matched healthy pediatric volunteers (five males and nine females) served as a control group (HC). The percentage of CD11c⁺ myeloid dendritic cells (mDCs) and CD123⁺ plasmacytoid DCs (pDCs) expressing CD200R1 and CD200 were evaluated in peripheral blood using flow cytometry and were correlated with routine biochemical, serological markers, serum levels of cytokines and with the percentages of circulating regulatory T cells (Treg) and CD4⁺ producing IL-17 (Th17). IBD patients showed a significant decrease in the percentage of pDCs and mDCs expressing CD200R1 compared to that of HC. Patients with UC showed increased expressions of the CD200 molecule on pDCs as compared to HC. DCs expressing CD200R1 were found to be correlated positively with Treg and negatively with TH17 and erythrocyte sedimentation rate (ESR). Our findings suggest that IBD is associated with dysregulation in the CD200R1/CD200 axis and that the decrease in DCs expressing CD200R1 may contribute to the imbalance of Th17 and Treg cells and in the pathogenesis of IBD.     

Semiconducting polyurethane/polypyrrole/polyaniline for microorganism immobilization and wastewater treatment in anaerobic/aerobic sequential packed bed reactors

The development of new materials for microorganism immobilization is very important in wastewater treatment. In this work polyurethane (PU) foams were modified polymerizing pyrrole and aniline onto their surface by chemical oxidization to obtain polyurethane/polypyrrole (PU/PPy), polyurethane/polyaniline (PU/PANI), and PU/(PPy‐co‐PANI) supports which were used to immobilize microorganisms for municipal wastewater treatment in batch mode and continuous flow using two sequential (anaerobic/aerobic) packed bed reactors (PBR) varying the total hydraulic retention time (HRT). The supports were characterized by Fourier Transform Infrared (FTIR) spectroscopy and Scanning Electron Microscopy (SEM) and tested in chemical oxygen demand (COD) removal during treatment of a municipal wastewater. It was observed from SEM analysis that globular nanostructures of PPy and PPy‐co‐PANI were formed onto the PU surface with average diameters between 100 and 300 nm, which are typical of aqueous polymerization of pyrrole monomer; however irregular nanostructures were observed when PANI was homopolymerized onto the PU foam. Batch wastewater treatment after 14 days showed COD removal efficiencies of 77%, 69%, 78%, and 80% for PU foam, PU/PPy, PU/PANI, and PU/(PPy‐co‐PANI), respectively; which was explained as a function of polymers morphology deposited onto the PU foam surface. Also it was observed from the sequential PBR that for 24 h and 36 h of HRT, 80 and 90% of COD removal can be achieved; respectively.© 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 42242.     

Structural Characteristics and Electrical Conductivity of Spark Plasma Sintered Ytterbia Co‐doped Scandia Stabilized Zirconia

The effect of replacing Sc₂O₃ with Yb₂O₃ on the structural and electrical properties of xYb₂O₃–(12–x)Sc₂O₃–88ZrO₂ has been investigated. Spark plasma sintering technique is employed to fabricate dense bulk samples from the nano‐sized powders. X‐ray diffraction and transmission electron microscopy performed on pellets indicate the existence of cubic and rhombohedral phases in 12ScSZ, and a single cubic phase in all the co‐doped compositions. However, Raman spectroscopic studies suggest the presence of a metastable tetragonal t″‐phase along with rhombohedral phases in 12ScSZ, whereas a single cubic phase in all the co‐doped compositions. Significant enhancement in the conductivity of grain and grain boundary is observed on replacing Sc₂O₃ with Yb₂O₃. In the intermediate temperature range, 1Yb11ScSZ exhibits the highest, while 12ScSZ shows the lowest conductivity values, which is attributed to corresponding phases present in that range. Through co‐doping with >1 mol% Yb₂O₃ leads to conductivity decrease, but the value remains higher than that of 12ScSZ. A sharp conductivity change is observed in 12ScSZ and 1Yb11ScSZ samples, which is attributed to partial phase transition as well to the formation of cation‐vacancy complexes. In this work, the beneficial effect of Yb₂O₃ co‐doping in 12ScSZ on the phase and conductivity has been highlighted.     

Explaining the Difference Between Real Part and Virtual Design of 3D Printed Porous Polymer at the Microstructural Level

The combination of experimental and numerical approaches is attempted to shed more light on 3D microstructural imperfections and mechanical performance of 3D printed acrylonitrile butadiene styrene parts. The starting point is the virtual building of airy structures using a reverse engineering approach. This approach combines microstructure generator, finite element model, and optimization strategy to propose virtual airy structures satisfying structural and mechanical criteria up to a desired porosity content of 60%. Optimal structures are printed using fused deposition modeling and X‐ray microtomography is used to assess all microstructural defects. Compression testing is performed for load levels above 50% of reduction in sample height. The main outcome of this work is the demonstration of small amount of process induced porosity inducing high pore connectivity. The interdependence of process induced and desired porosity reveals genuine microstructural effects that are only characteristics of 3D printed materials.

     

Solvent and Extraction Conditions Control the Assayable Phenolic Content and Antioxidant Activities of Seeds of Black Beans,Canola and Millet

The effects of extraction solvent and conditions on the total phenolic content (TPC) and antioxidant activity of black beans, canola and foxtail millet were investigated. The antioxidant activity was assayed using 2,2‐diphenyl‐1‐picrylhydrazyl radical scavenging activity (DRSA) and oxygen radical absorbance capacity (ORAC). Four solvent systems, namely 70 % acetone, 80 % ethanol, 80 % methanol and a mixture of acetone/methanol/water (7:7:6, v/v/v) were used. The extraction methods adopted in this study included refluxing, homogenization, cold extraction and sonication. The TPC as measured using the Folin Ciocalteu's method were 12.35–28.39, 2.43–16.73, and 1.78–5.06 µmol catechin equivalents/g dry matter (dm) for canola, black beans and foxtail millet, respectively. Aqueous acetone afforded the highest TPC for black beans and canola. Within the same solvent system used, the TPC, DRSA and ORAC obtained from different extraction techniques differed for black beans, canola and foxtail millet. The results demonstrated that the solvent system as well as method influenced the extraction of phenolic compounds and their antioxidant activities, depending on the type of matrix in which phenolics were embedded.     

Structural Diversity and Defensive Properties of Norditerpenoid Alkaloids

We have tested the insect antifeedant and toxic activity of 43 norditerpenoid alkaloids on Spodoptera littoralis and Leptinotarsa decemlineata including eserine (physostigmine), anabasine, and atropine. Antifeedant effects of the test compounds were structure- and species-dependent. The most active antifeedants to L. decemlineata were 1,14-diacetylcardiopetaline (9) and 18-hydroxy- 14-O-methylgadesine (33), followed by 8-O-methylconsolarine (12), 14-O-acetyldelectinine (27), karakoline (7), cardiopetaline (8), 18-O-demethylpubescenine (13), 14-O-acetyldeltatsine (18), takaosamine (21), ajadine (24), and 8-O-methylcolumbianine (6) (EC50 < 1 microg/cm2). This insect showed a moderate response to atropine. S. littoralis had the strongest antifeedant response to 24, 18, 14-O-acetyldelcosine (19), and delphatine (29) (EC50 < 3 microg/cm2). None of the model substances affected the feeding behavior of this insect. The most toxic compound to L. decemlineata was aconitine (1), followed by cardiopetalidine (10) (% mortality > 60), 14-deacetylpubescenine (14), 18-O-benzoyl-18-O-demethyl-14-O-deacetylpubescenine (17), 14-O-acetyldelcosine (19), 14-deacetylajadine (25) and methyllycaconitine (30) (% mortality > 45). Orally injected S. littoralis larvae were negatively affected by 1, cardiopetaline (8), 10, 1,14-O-acetylcardiopetalidina (11), 12, 14, 1,18-O-diacetyl-19-oxo-gigactonine (41), olivimine (43), and eserine in varying degrees. Their antifeedant or insecticidal potencies did not parallel their reported nAChR binding activity, but did correlate with the agonist/antagonist insecticidal/antifeedant model proposed for nicotininc insecticides. A few compounds [14, tuguaconitine (38), 14-demethyldelboxine (40), 19, dehydrodelsoline (36), 18-O-demethylpubescenine (13), 41, 9, and delcosine (23)] had selective cytotoxic effects to ward insect-derived Sf9 cells. None were cytotoxic to mammalian CHO cells and none increased Trypanosoma cruzi mortality. The selective cytotoxic effects of some structures indicate that they can act on biological targets other than neuroreceptors.