bluuebunny/crossref_metadata_2025 huggingface dataset:
Magnetic Anisotropy in Pentacoordinate NiII and CoII Complexes: Unraveling Electronic and Geometrical Contributions
Authors: Cahier Benjamin , Perfetti Mauro , Zakhia Georges , Naoufal Daoud , El‐Khatib Fatima , Guillot Régis , Rivière Eric , Sessoli Roberta , Barra Anne‐Laure , Guihéry Nathalie , Mallah Talal
Published: December 2016

The magnetic properties of the pentacoordinate [MII(Me4cyclam)N3]+ (Me4cyclam=tetramethylcyclam; N3=azido; M=Ni, Co) complexes were investigated. Magnetization and EPR studies indicate that they have an easy plane of magnetization with axial anisotropy parameters D close to 22 and greater than 30 cm−1 for the Ni and Co complexes, respectively. Ab initio calculations reproduced the experimental values of the zero‐field splitting parameters and allowed the orientation of the anisotropy tensor axes with respect to the molecular frame to be determined. For M=Ni, the principal anisotropy axis lies along the Ni−Nazido direction perpendicular to the Ni(Me4cyclam) mean plane, whereas for M=Co it lies in the Co(Me4cyclam) mean plane and thus perpendicular to the Co−Nazido direction. These orientations match one of the possible solutions experimentally provided by single‐crystal cantilever torque magnetometry. To rationalize the geometry and its impact on the orientation of the anisotropy tensor axis, calculations were carried out on model complexes [NiII(NCH)5]2+ and [CoII(NCH)5]2+ by varying the geometry between square pyramidal and trigonal bipyramidal. The geometry of the complexes was found to be the result of a compromise between the electronic configuration of the metal ion and the structure‐orienting effect of the Me4cyclam macrocycle. Moreover, the orientation of the anisotropy axes is mainly dependent on the geometry of the complexes.
A Fluorescence‐Lifetime‐Based Binding Assay for Class IIa Histone Deacetylases
Authors: Meyners Christian , Mertens Monique , Wessig Pablo , Meyer‐Almes Franz‐Josef
Published: December 2016

Class IIa histone deacetylases (HDACs) show extremely low enzymatic activity and no commonly accepted endogenous substrate is known today. Increasing evidence suggests that these enzymes exert their effect rather through molecular recognition of acetylated proteins and recruiting other proteins like HDAC3 to the desired target location. Accordingly, class IIa HDACs like bromodomains have been suggested to act as “Readers” of acetyl marks, whereas enzymatically active HDACs of class I or IIb are called “Erasers” to highlight their capability to remove acetyl groups from acetylated histones or other proteins. Small‐molecule ligands of class IIa histone deacetylases (HDACs) have gained tremendous attention during the last decade and have been suggested as pharmaceutical targets in several indication areas such as cancer, Huntington's disease and muscular atrophy. Up to now, only enzyme activity assays with artificial chemically activated trifluoroacetylated substrates are in use for the identification and characterization of new active compounds against class IIa HDACs. Here, we describe the first binding assay for this class of HDAC enzymes that involves a simple mix‐and‐measure procedure and an extraordinarily robust fluorescence lifetime readout based on [1,3]dioxolo[4,5‐f]benzodioxole‐based ligand probes. The principle of the assay is generic and can also be transferred to class I HDAC8.
A Metal–Organic Framework Impregnated with a Binary Ionic Liquid for Safe Proton Conduction above 100 °C
Authors: Sun Xiao‐Li , Deng Wei‐Hua , Chen Hui , Han Hong‐Liang , Taylor Jared M. , Wan Chong‐Qing , Xu Gang
Published: December 2016

To develop proton‐conducting materials under low‐humidity conditions and at moderate working temperature still remains challenging for fuel‐cell technology. Here, a new type of proton‐conducting material, EIMS‐HTFSA@MIL, which was prepared by impregnating the binary ionic liquid, EIMS‐HTFSA (EIMS=1‐(1‐ethyl‐3‐imidazolium)propane‐3‐sulfonate; HTFSA=N,N‐bis(trifluoromethanesulfonyl)amide), into a mesoporous metal–organic framework, MIL‐101 ([Cr3F(H2O)2O(BDC)3⋅n H2O] (n≈0.25, BDC=1,4‐benzenedicarboxylate)) is reported. By taking advantage of the ionic‐liquid properties, such as high thermal stability, non‐volatility, non‐flammability, and low corrosivity, EIMS‐HTFSA@MIL shows potential application as a safe electrolyte in proton conduction above 100 °C.
Direct Access to Chiral β‐Fluoroamines with Quaternary Stereogenic Center through Cooperative Cation‐Binding Catalysis
Authors: Vaithiyanathan Venkataramasubramanian , Kim Mun Jong , Liu Yidong , Yan Hailong , Song Choong Eui
Published: December 2016

A direct route to chiral β‐fluoroamines with tetrasubstituted C−F centers through the organocatalytic Mannich reaction of α‐fluoro cyclic ketones and α‐amidosulfones by using a chiral oligoethylene glycol as a cation‐binding catalyst and KF as a base is reported. For most substrates, nearly perfect enantioselectivities were achieved even at very high temperatures (>80 °C). The salient features of this process include a) a transition‐metal‐free and operationally simple procedure, b) direct use of α‐amidosulfones as bench‐stable precursors of sensitive imines, c) direct enolization of racemic α‐fluoro cyclic ketones, and d) excellent stereoselectivity up to 99 % enantiomeric excess and >20:1 diastereoselectivity (anti/syn). Thus, this protocol is easily scalable and provides a new approach for the synthesis of biologically relevant products with tetrasubstituted C−F centers. Furthermore, this protocol was also successfully extended to generate C−Cl and C−Br quaternary stereogenic centers.
Measurement of Fluid Dynamics in Random Packings Using High‐Resolution Computed Tomography
Authors: Schug Sebastian , Arlt Wolfgang
Published: December 2016

Durch Aufnahme computertomographischer Bilder über die Höhe einer Füllkörperkolonne sind lokale und integrale Werte für den Holdup, die benetzte Füllkörperoberfläche und die Stoffaustauschfläche bestimmt worden. Hierfür sind der Raschig Super‐Ring, RMSR und Raflux‐Ring über einen weiten Betriebsbereich untersucht worden. Die Ergebnisse zeigen große Unterschiede zwischen den drei Füllkörpertypen und lassen sich aufgrund der hohen räumlichen Auflösung der Messtechnik quantifizieren. Die Resultate der integralen Werte sind weitgehend unabhängig von der Füllkörperschüttung und auch nach Neuschüttung der Füllkörper reproduzierbar.
Investigation of the minimum miscibility pressure for injection of two different gases into two Iranian oil reservoirs: Experimental and theory
Authors: Moosazadeh Mohammad , Keshavarzi Behnam , Ghotbi Cyrus
Published: December 2016

The results of the minimum miscibility pressure (MMP) determination for miscible injection of two gases (CO2 and an associated gas of one of Iranian gas reservoirs) into two different oil samples from two Iranian oil reservoirs using a slim tube apparatus are presented in this work. For efficient determination of MMP, prior to slim tube experimentation, cell‐to‐cell simulation of the slim tube experiment was performed using a tuned Peng Robinson equation of state as a pre‐experiment and the results were used as initial estimates of MMP to select the pressure steps for the slim tube experiment. Finally, a comparison between the measured MMP values obtained by the slim tube experiments and those calculated by cell‐to‐cell simulation was made. It was shown that the cell‐to‐cell slim tube simulation predicts the results of slim tube experiments with a relative error of less than 6 %. This low error value shows that cell‐to‐cell simulation can replace the slim tube test in the cases where time is a major concern. Moreover, since the slim tube is an expensive and time‐consuming experiment and selecting the pressures to run the test is very important, cell‐to‐cell simulation can help us select the pressures for performing a slim tube experiment.
How do ions enhance the transfer during nanofiltration of saccharides? Experimental assessment of the dehydration assumption
Authors: Boy Virginie , Roux‐de Balmann Hélène , Galier Sylvain
Published: December 2016

The aim of the work was to improve the understanding of the role of ion hydration on the transfer during nanofiltration of saccharides. More precisely, it consisted in evaluating the physical relevance of the dehydration assumption to explain the increased transfer of saccharides in presence of electrolytes. Experiments were carried out using saccharides (xylose, glucose) and electrolytes containing ions of different hydration levels (NaCl, Na2SO4). The Filmtec NF membrane (previously referred to as NF45) was used. Unlike saccharide/NaCl solutions, Na2SO4 had a weak influence on the saccharide transfer. This means that the impact of the electrolyte on the transfer of saccharide was strongly affected by the ions retention. Indeed, SO42‐ ions were much more often retained than Cl‐. Thus, an enhanced saccharide transfer was expected as the electrolyte concentration in the permeate was high. The physical relevance of the assumed dehydration was evaluated. The decrease of the saccharide radius was determined from the mass transfer modelling. It was shown that the decrease was physically relevant with the dehydration phenomenon since this decrease corresponded to a fraction of the water molecule (2–3 %). Next, the increased transfer was compared with the variation of the apparent molar volume, characterizing the hydration state of solutes, to better understand the mechanisms involved. For a given electrolyte, the transfer increased continuously with saccharide dehydration. This result could confirm that the increase of the transfer could be attributed to the saccharide dehydration caused by the electrolyte.
Bed diameter effect on the hydrodynamics of gas‐solid fluidized beds via radioactive particle tracking (RPT) technique
Authors: Efhaima Abdelsalam , Al‐Dahhan Muthanna H.
Published: December 2016

The hydrodynamics observed in large‐scale gas‐solid fluidized bed reactors are different from those observed in smaller scale beds. In this study, the effect of bed diameter on the hydrodynamics of gas‐solid fluidized bed reactors has been investigated in two bubbling fluidized beds of 44 cm and 14 cm in diameter using an advanced non‐invasive radioactive particle tracking (RPT) technique. Compressed air at room temperature was used as the gas phase, and the solid was glass beads with a particle size of 210 μm (Geldart‐B) and density of 2.5 g · cm−3. Particle velocity field, Reynolds stresses, normal stresses, turbulent kinetic energy, and axial and radial eddy diffusivities were measured in two beds at gas velocities of 1.5 , 2 , and 3 . Experimental results showed that the bed scales have a significant effect on some of these hydrodynamic parameters where the magnitude of solids velocity is much higher in the larger bed and the solids mixing and diffusion of particles are increased by increasing the column diameter.
Numerical modelling and simulation of hydrogen production via four different chemical reforming processes: Process performance and energy requirements
Authors: Sánchez Rafael A. , Riboldi Luca , Jakobsen Hugo A.
Published: December 2016

Methane reforming operated in fluidized bed reactors is modelled and simulated for four different chemical processes: Steam Methane Reforming (SMR) process and the both non‐commercially available Sorption‐Enhanced Steam Methane Reforming (SE‐SMR) process and Chemical Looping Reforming process for non‐autothermal (naCLR) as well as autothermal (aCLR) operation. These processes are operated at relevant operating conditions. The results from the reforming simulations are used as input in a Pressure Swing Adsorption model, where the hydrogen is further purified to about 99.99 % and delivered at 2500 kPa (25 bar) of pressure and 25 °C. The energy consumption for hydrogen production on a mole basis is calculated for each chemical process with and without heat recuperation, with heat recuperation referring in this context to the utilization of the thermal energy available from the cooling of certain fluid streams to power other parts of the process.
Effect of Li2CO3 on formation temperature of hBN by modified O'Connor model
Authors: Oz Muhammed , Saritekin Namik Kemal , Bozkurt Cetin , Budak Erhan , Yildirim Gurcan
Published: December 2016

This study is interested in the effect of lithium carbonate on the formation of hexagonal boron nitride (hBN) by means of the available experimental methods including TGA, XRD, FTIR, SEM and HR‐TEM. hBN samples were synthesized at the 1450 °C with different molar ratios of lithium carbonate by modified O'Connor routine. The crystalline hBN formation tended to improve with the increment of the Li2CO3 concentration level (especially after more 20 %). The dopant quantity decreased the residual stresses due to the presence of possible relaxation mechanisms along with the nanocrystal structure, even favored by XRD experimental findings regarding the enhancement of crystal plane alignments, crystallite sizes and lattice parameters. As for the FTIR surveys, the Li2CO3 foreign impurities strengthened more and more the covalent bonds between boron and nitrogen atoms. At the same time, the samples with 40 % lithium carbonate were annealed at the varied temperatures of 1000, 1150, 1300 and 1450 °C to determine the optimum annealing temperature. The XRD+FTIR investigations indicated that the degree of hexagonality improved with the increased annealing temperature. Similarly, the surface morphology confirmed not only the formation of regularity and flaky hexagonal BN structures, but also the strengthening of covalent bonds between the atoms.
Origin of the Excellent Performance of Ru on Nitrogen‐Doped Carbon Nanofibers for CO2 Hydrogenation to CH4
Authors: Roldán Laura , Marco Yanila , García‐Bordejé Enrique
Published: December 2016

Carbon materials have rarely been used as support for CO2 methanation, which is usually carried out using catalysts supported on metal oxides. Here, it is shown that Ru nanoparticles supported on nitrogen‐doped carbon nanofibers (NCNF) provide competitive CH4 production rate and stability compared to Al2O3‐supported catalysts. Contrary to the general belief about the inert nature of carbon supports, it is demonstrated that NCNF is a non‐innocent spectator in CO2 methanation due to its ability to store a high amount of COad reaction intermediates. This explains the excellent catalytic behaviour afforded by this unconventional catalyst support.
Aluminum‐Mediated Formation of Cyclic Carbonates: Benchmarking Catalytic Performance Metrics
Authors: Rintjema Jeroen , Kleij Arjan W.
Published: December 2016

We report a comparative study on the activity of a series of fifteen binary catalysts derived from various reported aluminum‐based complexes. A benchmarking of their initial rates in the coupling of various terminal and internal epoxides in the presence of three different nucleophilic additives was carried out, providing for the first time a useful comparison of activity metrics in the area of cyclic organic carbonate formation. These investigations provide a useful framework for how to realistically valorize relative reactivities and which features are important when considering the ideal operational window of each binary catalyst system.
Virtual cell imaging: A review on simulation methods employed in image cytometry
Authors: Ulman Vladimír , Svoboda David , Nykter Matti , Kozubek Michal , Ruusuvuori Pekka
Published: December 2016

The simulations of cells and microscope images thereof have been used to facilitate the development, selection, and validation of image analysis algorithms employed in cytometry as well as for modeling and understanding cell structure and dynamics beyond what is visible in the eyepiece. The simulation approaches vary from simple parametric models of specific cell components—especially shapes of cells and cell nuclei—to learning‐based synthesis and multi‐stage simulation models for complex scenes that simultaneously visualize multiple object types and incorporate various properties of the imaged objects and laws of image formation. This review covers advances in artificial digital cell generation at scales ranging from particles up to tissue synthesis and microscope image simulation methods, provides examples of the use of simulated images for various purposes ranging from subcellular object detection to cell tracking, and discusses how such simulators have been validated. Finally, the future possibilities and limitations of simulation‐based validation are considered. © 2016 International Society for Advancement of Cytometry
Hampered Subcomponent Self‐Assembly Leads to an Aminal Ligand: Reactivity with Silver(I) and Copper(II)
Authors: Tessarolo Jacopo , Venzo Alfonso , Bottaro Gregorio , Armelao Lidia , Rancan Marzio
Published: December 2016

Insight into the ineffectiveness of a subcomponent self‐assembly procedure between 4‐aminopyridine (4‐apy) and pyridine‐2‐carbaldehyde (2‐pyA) led to a new aminal ligand (L). The combination of L with AgI gave a 2D luminescent network, in which the silver ions have a distorted triangular‐pyramidal coordination geometry. The aminal is stable in acetonitrile and DMSO but decomposes in alcohol solvents. Moreover, we found that CuII also induced the decomposition of L, which led to Cu(pic)2, {[Cu(4‐apy)4](ClO4)2}, and an unprecedented {[Cu4(pic)4(OH)2(H2O)6](ClO4)2} tetramer based on CuII ions and picolinic acid (Hpic) generated in situ. The decomposition pathway of L was clarified by a combination of single‐crystal XRD analysis, NMR spectroscopy, and ESI‐MS.
Ternary Layered Double Hydroxides (LDHs) Based on Co‐, Cu‐Substituted ZnAl for the Design of Efficient Photocatalysts
Authors: Kim Sanghoon , Fahel Jean , Durand Pierrick , André Erwan , Carteret Cédric
Published: December 2016

Co‐, Cu‐substituted ZnAl ternary layered double hydroxides (LDHs) were synthesized and explored as efficient photocatalysts for dye degradation. LDH materials were fully characterized with various methods including elemental analysis, X‐ray diffraction, infrared spectroscopy, Raman spectroscopy, and transmission electron microscopy, which revealed that LDH materials were well crystallized without any amorphous phase as impurity. In addition, the plates of LDH were well dispersed, one plate being easily distinguished from another plate, and their size could also be controlled by varying the Co, Cu substitution ratio. As an application, the adsorption characteristics and photocatalytic degradation of orange II, a model pollutant, were investigated. In particular, Co‐substituted LDHs exhibit an excellent photocatalytic activity with the optimal Co/Zn substitution ratio of 1:3. Interestingly, LDH materials having a higher ratio didn't show any improvement of the photocatalytic activity, suggesting that the amount of Zn is the crucial factor. Furthermore, the photocatalytic performance of Zn1.5Co0.5Al1 (Co/Zn = 1:3) was compared with other materials such as metal oxides prepared by heat or microwave treatment, and the result could prove the efficiency of LDH materials of this work. Therefore, Co, Cu substitution in ZnAl ternary LDHs could be a straightforward approach for designing efficient photocatalysts with various potential applications such as the remediation of wastewater.
Formulation and characterization of food grade water‐in‐oil emulsions encapsulating mixture of essential amino acids
Authors: Bhatti Hamzah Shahbaz , Khalid Nauman , Uemura Kunihiko , Nakajima Mitsutoshi , Kobayashi Isao
Published: December 2016

The present study was conducted to study the encapsulation properties of a mixture of four amino acids (AAs) in the disperse phase of water‐in‐oil (W/O) emulsions. Four different AAs (methionine, lysine, threonine, and tryptophan) at 1% (w/w) each AA concentration was used in dispersed phase, while the continuous phase constitutes vegetable oils with 5% (w/w) tetraglycerin monolaurate condensed ricinoleic acid esters as an emulsifier. The optimized conditions include homogenization at 7000 rpm for 5 min using soybean oil as a continuous phase medium. The average droplet diameter of the W/O emulsions ranged between 4 and 5 μm with a coefficient of variation between 20 and 23%. The W/O emulsions were found to be stable over a period of 30 days at 4°C with slight phase separation at 25°C after 30 days of storage. The W/O emulsions retain about 10.5 mg/mL (encapsulation efficiency 79.8%) of amino acids after 30 days of storage at 4 and 25°C. The methionine and lysine have encapsulation efficiency of over 80% in comparison to threonine (79%) and tryptophan (60%) after 30 days of storage at 4 and 25°C.

Practical applications: Multiple studies have emphasized the benefits to human health of including amino acids in the diet and as special nutrient formula for sport persons. For this reason, the study was proposed to formulate a stable emulsion system that could later be able to formulate high energy food or energy drinks. The optimization of formulation parameters is necessary for industrial production and the methodology pointed in this research is far easily to apply and helps in designing new nutraceuticals and functional foods.

Successful encapsulation of mixture of amino acids (methionine, lysine, threonine, and tryptophan) at (4% (w/w)) in the W/O emulsions. The W/O emulsions have encapsulation efficiency over 70% after 1 month of storage.
Encapsulation of cholecalciferol and ergocalciferol in oil‐in‐water emulsions by different homogenization techniques
Authors: Khalid Nauman , Kobayashi Isao , Neves Marcos A. , Uemura Kunihiko , Nakajima Mitsutoshi , Nabetani Hiroshi
Published: December 2016

Ergocalciferol (VD2) and cholecalciferol (VD3) are bioactive compounds with reduced bioavailability. Soybean oil, olive oil, or medium chain triglyceride containing 0.5% w/w VD2 and VD3, was used as a dispersed phase, while phosphate buffer containing 1% w/w Tween 20 served as a continuous phase. The two phases were emulsified with a rotor‐stator homogenizer (RSH) at 5000–20 000 rpm for 5 min or with high pressure homogenization (HPH) at 100 MPa after RSH at 7000 rpm for 5 min. The volume mean diameter (d4,3) of the formulated oil‐in‐water (O/W) emulsions gradually decreased with increasing the rotation speed of RSH. The O/W emulsions formulated under appropriate homogenization conditions remained stable over 30 days of storage period. There was no prominent difference in d4,3 of the O/W emulsions formulated with the HPH, differing from d4,3 of the O/W emulsions formulated with the RSH during 30 days of storage period. There was little effect of homogenization types on release profile of the VD2 and VD3 loaded emulsions. The encapsulation efficiencies of VD2 and VD3 were less than 70% after 10 days of storage, followed by sharp decline to 10% after 30 days at 4°C.

Practical applications: Multiple studies have emphasized the benefits to human health of including vitamins in the diet and as special nutrient formula for athletes. For this reason, our study was proposed to formulate a stable emulsion system that could later be added to formulate high energy food or energy drinks.

A mixture of cholecalciferol (VD2) and ergocalciferol (VD3) is successfully encapsulated in the O/W emulsions. The different homogenization conditions have no significant effect on the encapsulation efficiencies. There is sharp decline in encapsulation efficiencies of VD2 and VD3 after 15 days of storage.
Mechanochemical Synthesis of Dipeptides Using Mg‐Al Hydrotalcite as Activating Agent under Solvent‐Free Reaction Conditions
Authors: Landeros José M. , Juaristi Eusebio
Published: December 2016

Given the high demand for green and sustainable synthetic methods for the formation of amides and peptidic bonds, herein we report the efficient, solvent‐free mechanochemical synthesis of dipeptides from N‐protected amino acids and amino acid methyl ester hydrochlorides in the presence of 1‐hydroxybenzotriazole (HOBt) and N‐ethyl‐N′‐[3‐(dimethylamino)propyl]carbodiimide hydrochloride (EDC) as coupling reagents, and using Mg‐Al hydrotalcite‐like minerals as green activating agent. From commercial Mg‐Al hydrotalcite (HT‐S), we obtained its calcined (HT‐C) and reconstructed (HT‐R) modifications, which were evaluated as activating heterogeneous bases in amidation reactions, replacing commonly used toxic and/or corrosive bases (e.g., NEt3, iPr2NEt and NaOH). As a practical application of this strategy, various α,α‐, α,β‐ and β,β‐dipeptides were prepared in good to excellent yields. Under optimized reaction conditions (vibrating mill at 25 Hz for 75 min) HT‐S and HT‐R showed higher activity (89 % yield of the desired peptide) compared with HT‐C (57 % yield). The present protocol offers several advantages, including the use of readily available reagents and inexpensive materials, easy workup, simple recovery and recyclability of the hydrotalcite activator, and short reaction times.
An intelligent bioreactor system for the cultivation of a bioartificial vascular graft
Authors: Maschhoff Paul , Heene Sebastian , Lavrentieva Antonina , Hentrop Thorleif , Leibold Christian , Wahalla Marc‐Nils , Stanislawski Nils , Blume Holger , Scheper Thomas , Blume Cornelia
Published: December 2016

Cardiovascular disease is the most common cause of death, accounting for 31% of deaths worldwide. As purely synthetic grafts implicate concomitant anticoagulation and autologous veins are rare, tissue‐engineered vascular grafts are urgently needed. For successful in vitro cultivation of a bioartificial vascular graft, the suitable bioreactor should provide conditions comparable to vasculogenesis in the body. Such a system has been developed and characterized under continuous and pulsatile flow, and a variety of sensors has been integrated into the bioreactor to control parameters such as temperature, pressure up to 500 mbar, glucose up to 4.5 g/L, lactate, oxygen up to 150 mbar, and flow rate. Wireless data transfer (using the ZigBee specification based on the IEEE 802.15.4 standard) and multiple corresponding sensor signal processing platforms have been implemented as well. Ultrasound is used for touchless monitoring of the growing vascular structure as a quality control before implantation (maximally achieved ultrasound resolution 65 μm at 15 MHz). To withstand the harsh conditions of steam sterilization (120°C for 20 min), all electronics were encapsulated. With such a comprehensive physiologically conditioning, sensing, and imaging bioreactor system, all the requirements for a successful cultivation of vascular grafts are available now.
Uniform hazard floor acceleration spectra for linear structures
Authors: Lucchini Andrea , Franchin Paolo , Mollaioli Fabrizio
Published: December 2016

This paper presents a practical method to compute uniform hazard floor acceleration spectra for linear oscillators attached to a linear structure. The method builds on a probabilistic seismic demand model that relates the acceleration response of the oscillator with that of the generic mode of vibration of the supporting structure. Interaction between oscillator and structure is ignored. Independency of the model on the specific characteristics of seismic hazard at the site is shown. By using the method floor spectra are determined through a closed‐form expression, given the mean annual frequency of interest, the damping ratio of the oscillators, the modal properties of the structure, and three uniform hazard spectra representing seismic hazard at the site. Copyright © 2016 John Wiley & Sons, Ltd.
Expanding the Explanations for the Return–Volatility Relation
Authors: Talukdar Bakhtear , Daigler Robert T. , Parhizgari A. M.
Published: December 2016

We examine the return–volatility relation using three of the CBOE's recent indices. We employ more robust estimation techniques that account for the asymmetric relation between return and volatility. Our findings indicate that contributions of these indices to R2 are surprisingly large (7.45–35.54%) when the observations are divided into deciles groups. The results further indicate that behavioral theories explain the return–volatility relation better than the fundamental theories. We use daily and high frequency data. The results are consistent across all data, though the high frequency data seem to provide more support for the behavioral theories. © 2016 Wiley Periodicals, Inc. Jrl Fut Mark 37:689–716, 2017
Hypobaric Hypoxia Regulates Brain Iron Homeostasis in Rats
Authors: Li Yaru , Yu Peng , Chang Shi‐Yang , Wu Qiong , Yu Panpan , Xie Congcong , Wu Wenyue , Zhao Baolu , Gao Guofen , Chang Yan‐Zhong
Published: December 2016

Disruption of iron homeostasis in brain has been found to be closely involved in several neurodegenerative diseases. Recent studies have reported that appropriate intermittent hypobaric hypoxia played a protective role in brain injury caused by acute hypoxia. However, the mechanisms of this protective effect have not been fully understood. In this study, Sprague‐Dawley (SD) rat models were developed by hypobaric hypoxia treatment in an altitude chamber, and the iron level and iron related protein levels were determined in rat brain after 4 weeks of treatment. We found that the iron levels significantly decreased in the cortex and hippocampus of rat brain as compared to that of the control rats without hypobaric hypoxia treatment. The expression levels of iron storage protein L‐ferritin and iron transport proteins, including transferrin receptor‐1 (TfR1), divalent metal transporter 1 (DMT1), and ferroportin1 (FPN1), were also altered. Further studies found that the iron regulatory protein 2 (IRP2) played a dominant regulatory role in the changes of iron hemostasis, whereas iron regulatory protein 1 (IRP1) mainly acted as cis‐aconitase. These results, for the first time, showed the alteration of iron metabolism during hypobaric hypoxia in rat models, which link the potential neuroprotective role of hypobaric hypoxia treatment to the decreased iron level in brain. This may provide insight into the treatment of iron‐overloaded neurodegenerative diseases. J. Cell. Biochem. 118: 1596–1605, 2017. © 2016 Wiley Periodicals, Inc.
Population Pharmacokinetics of Ceritinib in Adult Patients With Tumors Characterized by Genetic Abnormalities in Anaplastic Lymphoma Kinase
Authors: Hong Ying , Passos Vanessa Q. , Huang Pai‐Hsi , Lau Yvonne Y.
Published: December 2016

Ceritinib is a second‐generation selective and potent oral anaplastic lymphoma kinase (ALK) inhibitor approved for ALK‐positive advanced non–small cell lung cancer previously treated with crizotinib. Population pharmacokinetic (PK) analysis was performed to describe the PK of ceritinib and was used to evaluate the covariate effects on systemic exposure at its label dose (750 mg orally once daily). Ceritinib concentration–time data from 4 clinical studies were described by a 1‐compartment model with delayed first‐order absorption and time‐dependent elimination. The apparent clearance at steady state (CL/Fss) was determined to increase with body weight and albumin but decrease with an increase in alanine aminotransferase. Japanese ethnicity appeared to significantly influence the apparent fractional turnover rate of the inhibited metabolic enzyme (kout). No dose adjustment was necessary in patients with lower body weight or with preexisting mild hepatic impairment. The ceritinib steady‐state exposure (AUCss) at 750 mg increased by 8% (90% prediction interval [PI], 2–16) in non‐Japanese Asians and 31% (90%PI, 17–44) in Japanese patients compared with that in white patients. Other covariates including sex, age, baseline Eastern Cooperative Oncology Group performance status, baseline total bilirubin, baseline estimated glomerular filtration rate, prior crizotinib treatment, and concomitant use of proton pump inhibitors had no statistically significant effect on ceritinib PK parameters. In conclusion, the nonlinear PK of ceritinib was described using a population‐based approach in patients with ALK‐positive tumors. None of the covariates assessed in this study were considered clinically relevant and therefore do not warrant dose adjustment.
Unexpected effect of the vehicle (grain ethanol) of homeopathic FSH on the in vitro survival and development of isolated ovine preantral follicles
Authors: Lima Lartiza F. , Rocha Rebeca M. P. , Duarte Ana Beatriz G. , Brito Ivina R. , Silva Gerlane M. , Rodrigues Giovanna Q. , Nunes‐Pinheiro Diana C. S. , Sales Antônia D. , Moura Arlindo A. , Wheeler Matthew B. , Rodrigues Ana Paula R. , Campello Cláudio C. , Figueiredo José Ricardo
Published: December 2016

The aims of this study were to investigate the effects of medium replacement system (experiment I) and of FSH presentations (homeopathic – FSH 6cH and allopathic FSH – rFSH; experiment II) on the in vitro development, hormone production and gene expression of isolated ovine preantral follicles cultured for 6 days. In experiment I, secondary follicles were cultured in the α‐MEM+ supplemented with FSH 6cH (0.05 fg/ml) or recombinant bovine FSH (100 ng/ml) without/with daily medium addition. The homeopathic FSH treatments with/without medium addition improved (p < .05) follicular development compared to rFSH100 treatment without addition. FSH 6cH with addition showed the highest (p < .05) estradiol production. To verify whether the effects of homeopathic FSH were not due to its vehicle, experiment II was performed. The α‐MEM+ was supplemented or not with alcohol (0.2% grain ethanol, v/v), FSH 6cH or rFSH100 with daily medium addition. Surprisingly, we found that all treatments improved follicular development compared to the α‐MEM+ (p < .05). Moreover, homeopathic FSH was similar to the other treatments including its vehicle. In conclusion, its vehicle (ethanol) causes the effect of homeopathic FSH on in vitro development of isolated ovine preantral follicles.
Variability in the performance characteristics of IgG anti‐HEV assays and its impact on reliability of seroprevalence rates of hepatitis E
Authors: Kodani Maja , Kamili Nourine A. , Tejada‐Strop Alexandra , Poe Amanda , Denniston Maxine M. , Drobeniuc Jan , Kamili Saleem
Published: December 2016

Hepatitis E is a major public health problem in developing countries and is increasingly being recognized as a cause of substantial sporadic viral hepatitis infections in industrialized countries. Variable rates of hepatitis E seroprevalence have been reported from the same geographic regions depending on the assay used. In this study, we evaluated the performance characteristics of four assays which included two commercial assays, Wantai HEV‐IgG ELISA kit (Wantai, China), and DS‐EIA‐ANTI‐HEV‐G kit (DSI, Italy), one NIH‐developed immunoassay (NIH‐55 K, Kuniholm et al. [2009] Journal of Infectious Diseases 200:48‐56), previously used in several major seroprevalence studies and one in‐house Western blot assay (CDC‐WB). The limit of detection of IgG anti‐HEV is 100 mIU/mL for Wantai assay, 200 mIU/mL for CDC‐WB assay, 1000 mIU/mL for DSI assay, and 40 mIU/mL for NIH‐55 K assay. Pairwise concordance between the four assays ranged from 56% to 87%. The concordance among all four assays was observed in 52% of the samples, while the concordance among three assays was observed in 37% of the samples. These data show a wide discordance between various IgG anti‐HEV assays and warrant a comprehensive evaluation of all the assays using well characterized global serum reference panels.
Novel corrosion inhibitors for acidizing oil wells
Authors: Abdel Ghany N. A. , Shehata M. F. , Saleh R. M. , El Hosary A. A.
Published: December 2016

Acidizing is a common job in both new and old oil and gas wells. In new wells, acids are forced into the pore spaces of the rock formation, dissolving them, enlarging the existing flow channels, and open new ones to the wellbore. In old wells, it is used for the removal of scale deposits which cause plugging the porosity of the formation containing oil and/or gas, and decreasing the production of the wells. Formation of deposits on production equipments is also a major problem, causes corrosion, flow restriction, and production decline. The majority of acidizing treatments utilize HCl at high concentrations and high temperatures. To avoid the acid attack on the metallic surface, highly effective corrosion inhibitors are needed for this process. In this paper, tow inhibitor formulations have been investigated for the inhibition of mild steel in 15 and 20% HCl solutions at 65 and 90 °C. One of these formulations is composed mainly of coal–tar distillation products [CTDP] and the second from the aqueous extract of ginger. The corrosion inhibition effectiveness was measured by the weight loss of the steel coupons after immersing in the acid solution for 6 h. The results showed decrease of corrosion rate [CR] and increase of inhibition efficiency [Inh. Eff.] with increasing the concentration of the two inhibitors. In 15% HCl, the lowest CR values given by CTDP are 1.867 and 22.75 g/m2h, respectively, at 65 and 90 °C. The corresponding blank CR values are 136.03 and 233.667 g/m2h, and the maximum Inh. Eff. values are 98.6 and 90.3%. Ginger extract formulation achieved 99.3 and 96%, respectively at 65 and 95 °C. No significant change in the efficiency of the two formulations has been obtained with increasing the HCl concentration to 20%. The results have been compared with those obtained with currently used commercial inhibitors and it is found that the two formulations are more effective.
Fabrication and Physical Properties of Poly(ε‐Caprolactone)/Modified Graphene Nanocomposite
Authors: Hua Lei , Chen Qixian , Yin Jing , Zhang Chunqiu , Wang Xiaoli , Yin Jiandao , Feng Xin , Yang Jinjun
Published: December 2016

A chemical strategy is attempted to modify graphene for its facilitated dispersion in poly(ε‐caprolactone) (PCL) matrix. Herein, graphite oxide is subjected to sequential treatment with phenyl isocyanate and vitamin C (VC) to yield graphene nanosheets (iG‐VC). It is noteworthy that following the reduction treatment, iG‐VC graphene sheets exfoliate within the PCL matrix and show appreciable interfacial compatibility with PCL matrix in organic solvent by virtue of improved polarity from isocyanate treatment. The tensile yield strength and Young's modulus of the PCL/iG‐VC composite exhibit pronounced enhancement as compared to neat PCL, despite of mere composition of graphene sheets. The tensile yield stress of composite is increased notably to reach 18.6 MPa at 3 wt% graphene sheets as compared to neat PCL. Likewise, Young's modulus of composite is observed to increase from 370 to 470 MPa at 5 wt% graphene sheets. Moreover, the crystallization temperature (Tc) and crystallinity of PCL increase significantly upon incorporation of small amount of iG‐VC. Ultimately, functional role of iG‐VC graphene sheets is demonstrated in enhancing electrical conductivity of PCL‐based nanocomposites. The plausible mechanisms are also proposed to explain the increasedTc, improved mechanical property, and improved electrical conductivity of PCL/iG‐VC composite.

image
UV‐Patterning of Anti‐Biofouling Zwitterionic Copolymer Layer with an Aromatic Anchor Group
Authors: Li Lifu , Nakaji‐Hirabayashi Tadashi , Tokuwa Ken‐ichi , Kitano Hiromi , Ohno Kohji , Usui Yuki , Kishioka Takahiro
Published: December 2016

A thin layer (around 2 nm in thickness) composed of a random copolymer of zwitterionic carboxymethyl betaine (CMB) and p‐trimethoxysilylstyrene (STMS) (9:1) is constructed on a glass substrate or a silicon wafer. The copolymer layer is highly resistant against nonspecific adsorption of bovine serum albumin (BSA). However, on UV irradiation at 193 nm, the layer becomes hydrophobic and BSA is significantly adsorbed on the substrate. Upon UV irradiation through a photomask, a patterning of the fluorophore‐labeled protein with a resolution of about 1 µm can be clearly observed. On the other hand, the copolymer layer of CMB and 3‐methacryloxypropyltrimethoxysilane (MPTMS) (9:1) without an aromatic group exhibit less distinct pattern. Further, the poly(CMB‐r‐STMS) layer decomposes more quickly compared with the poly(CMB‐r‐MPTMS) layer at low irradiation dose. The zwitterionic polymer layer with an aromatic anchor group will be used at the modification of substrates applicable to sensing devices.

image
Modulation of VEGF signaling in a mouse model of diabetes by xanthohumol and 8‐prenylnaringenin: Unveiling the angiogenic paradox and metabolism interplay
Authors: Costa Raquel , Rodrigues Ilda , Guardão Luísa , Lima Joana Quelhas , Sousa Emília , Soares Raquel , Negrão Rita
Published: December 2016

Scope

Imbalance in kidney and heart neovascularization is common in type2 diabetes (T2DM) patients. Nevertheless, the mechanisms governing this angiogenic paradox have not been elucidated. Xanthohumol (XN) and 8‐prenylnaringenin (8PN) beer polyphenols modulate angiogenesis, being thus targets for T2DM‐related complications. Our work examined whether polyphenols consumption affects angiogenic paradox and metabolism in a T2DM mouse model.

Methods and results

An increase in kidney and a reduction in left ventricle (LV) microvessels of diabetic C57Bl/6 mice were observed. XN consumption reduced angiogenesis, VEGFR‐2 expression/activity, VEGF‐A and phosphofructokinase‐2/fructose‐2,6‐bisphosphatase‐3 enzyme expression, a metabolic marker present in endothelial tip cells in T2DM mice kidney. 8PN had opposite effects in T2DM mice LV. These XN and 8PN effects were dependent on VEGF levels as revealed by in vitro assays. These findings were accompanied by tissue and plasma reduced expression levels of VEGF‐B and its receptors, VEGFR1 and neuropilin‐1, by both polyphenols.

Conclusion

Beer polyphenols modulate T2DM angiogenic paradox in a tissue‐dependent manner. We also show for the first time that both polyphenols decreased VEGF‐B pathway, which is implicated in endothelial‐to‐tissue lipid metabolism. Altogether, the effects of these polyphenols in the crosstalk between angiogenesis and metabolism render them potent agents for novel diabetic therapeutic interventions.
Consumption of the total Western diet differentially affects the response to green tea in rodent models of chronic disease compared to the AIN93G diet
Authors: Ward Robert E. , Benninghoff Abby D. , Healy Brett J. , Li Minghao , Vagu Bharath , Hintze Korry J.
Published: December 2016

Scope

In pre‐clinical studies investigating bioactive components, the efficacy of the bioactive is likely influenced by the basal diet provided to rodents. In this study, we hypothesized that a model bioactive, green tea extract (GTE), would have different effects on colon carcinogenesis, body composition, and lipid metabolism in mice fed a basal diet formulated to promote animal health and growth (AIN93G) as compared to a Western diet that emulates typical American intakes of micro‐ and macronutrients, the total Western diet (TWD).

Methods and results

Mice were fed either AIN93G or TWD, with or without GTE added to drinking water for 18 weeks. Aberrant crypt foci (ACF) in azoxymethane‐initiated mice was nearly three times greater in mice fed TWD compared to AIN93G. Consumption of GTE suppressed ACF development only in mice fed the TWD. Similarly, supplementation with GTE suppressed weight gain and fasted glucose only in mice fed TWD, while GTE suppressed fat mass in mice fed either diet. Irrespective of diet, GTE supplementation increased cecum weight and decreased cecal SCFA concentration.

Conclusion

Collectively, these observations indicate that the TWD influences the bioactivity of GTE in rodent models of obesity, metabolism, and carcinogenesis.
A woven fabric for interconnecting back‐contact solar cells
Authors: Borgers Tom , Govaerts Jonathan , Voroshazi Eszter , Jambaldinni Shruti , O'Sullivan Barry , Singh Sukhvinder , Debucquoy Maarten , Szlufcik Jozef , Poortmans Jef
Published: December 2016

This paper reports on a novel and highly innovative technology to interconnect back‐contact cells. First, a background section explains the currently developed interconnection technologies. Then, our novel concept is introduced: interconnection of the cells is achieved with a woven fabric, combining both conductive wires, needed for the interconnection, and insulating wires, crucial to avoid shunting between both polarities at the backside of the cell. Weaving also allows out‐of‐plane stress relief features. In the third section, we explain that our technology combines the advantages of multi‐wire interconnection such as low‐stress and reduced resistive losses with known and low‐cost materials of traditional module assembly. Additional to previous publications, we demonstrate that the technology can be tuned broadly in terms of costs and resistive losses using an optimized interconnection pattern. These resistive loss simulations are also validated with the measured additional resistance in IBC test samples. We also present a preliminary thermal cycling test with promising results. Finally, first functional demonstrators IBC cells are fabricated, disclosing the process flow and initial technology developments. These results clearly demonstrate the proof‐of‐concept of the woven interconnection fabric, and based on electrical characterization we provide suggestions for improvements. Copyright © 2016 John Wiley & Sons, Ltd.
Examination of the Transferability of Technological key Features of Paperboard Deep Drawing Towards the Application in Fast‐Running Packaging Machines
Authors: Hauptmann Marek , Kustermann Thomas , Schmalholz Manfred , Haug Hans , Majschak Jens‐Peter
Published: December 2016

The deep‐drawing process of paperboard has experienced essential improvement in the recent past; however, the technological advancements have not been transferred to packaging machines yet. Two of the most important issues with regard to the reliable production of high quality 3D shapes are the use of elevated moisture and defined blank holder force profiles. This paper examines a roll preparation method for applying additional water to the paperboard and analyses a spring‐loaded blank holder solution with regard to its achieved accuracy and reliability of the force characteristics. A two‐sided roll application of water on the paperboard using a sponge rubber cover on one of the rolls produces a water intake of up to 12%. The effect of moisture applied by roll preparation is higher compared to conditioning under controlled climate conditions, and the preparation time is reduced to a few seconds. The spring‐loaded blank holder introduced in the paper completely works in position control and avoids the switch over to force control as well as the problem of small position steps, which were necessary during force control. A harmonic oscillation of the blank holder while the material is drawn out of it could not be observed up to an output of 150 cycles per minute. An application of a roll‐based moisturization unit and a spring‐loaded blank holder force in modern packaging machines appears feasible and favourable according to the results of this paper and maintains the capabilities of this 3D forming technology to a large part. Copyright © 2016 John Wiley & Sons, Ltd.