bluuebunny/crossref_metadata_2025 huggingface dataset:
Optimal coordination method of opportunistic array radars for multi‐target‐tracking‐based radio frequency stealth in clutter
Authors: Zhang Zhenkai , Salous Sana , Li Hailin , Tian Yubo
Published: October 2015

Opportunistic array radar is a new radar system that can improve the modern radar performance effectively. In order to improve its radio frequency stealth ability, a novel coordination method of opportunistic array radars in the network for target tracking in clutter is presented. First, the database of radar cross section for targets is built, then the signal‐to‐noise ratio for netted radars is computed according to the radar cross section and range of target. Then the joint probabilistic data association algorithm of tracking is improved with consideration of emitted power of the opportunistic array radar, which has a main impact on detection probability for tracking in clutter. Finally, with the help of grey relational grade and covariance control, the opportunistic array radar with the minimum radiated power will be selected for better radio frequency stealth performance. Simulation results show that the proposed algorithm not only has excellent tracking accuracy in clutter but also saves much more radiated power comparing with other methods.
High‐Performance, Air‐Stable, Top‐Gate, p‐Channel WSe2 Field‐Effect Transistor with Fluoropolymer Buffer Layer
Authors: Shokouh Seyed Hossein Hosseini , Jeon Pyo Jin , Pezeshki Atiye , Choi Kyunghee , Lee Hee Sung , Kim Jin Sung , Park Eun Young , Im Seongil
Published: October 2015

High‐performance, air‐stable, p‐channel WSe2 top‐gate field‐effect transistors (FETs) using a bilayer gate dielectric composed of high‐ and low‐k dielectrics are reported. Using only a high‐k Al2O3 as the top‐gate dielectric generally degrades the electrical properties of p‐channel WSe2, therefore, a thin fluoropolymer (Cytop) as a buffer layer to protect the 2D channel from high‐k oxide forming is deposited. As a result, a top‐gate‐patterned 2D WSe2 FET is realized. The top‐gate p‐channel WSe2 FET demonstrates a high hole mobility of 100 cm2­ V−1 s−1 and a ION/IOFF ratio > 107 at low gate voltages (VGS ca. −4 V) and a drain voltage (VDS) of −1 V on a glass substrate. Furthermore, the top‐gate FET shows a very good stability in ambient air with a relative humidity of 45% for 7 days after device fabrication. Our approach of creating a high‐k oxide/low‐k organic bilayer dielectric is advantageous over single‐layer high‐k dielectrics for top‐gate p‐channel WSe2 FETs, which will lead the way toward future electronic nanodevices and their integration.
Differential relationships between chronic hormone profiles in pregnancy and maternal investment in rhesus monkey mothers with hair loss in the neonatal period
Authors: Dettmer Amanda M. , Rosenberg Kendra , Menard Mark T. , El‐Mallah Saif N. , Woodward Ruth A. , Suomi Stephen J. , Meyer Jerrold S.
Published: October 2015

Hair loss is commonly used as an indicator of well being in primate facilities, yet it has been shown to also occur in otherwise healthy pregnant and postpartum females. There is significant variability in the incidence of hair loss during these important developmental periods, reasons for which remain unclear. We studied female rhesus monkeys (Macaca mulatta, n = 47) with and without hair loss in pregnancy/postpartum. We hypothesized that, similar to previously published reports, pregnancy would result in an increased likelihood of hair loss, and that hair loss would be correlated with higher hair cortisol concentrations (HCCs). We further hypothesized that hair loss among pregnant females is related to differential maternal investment. We studied a subset of monkeys (n = 26) from mid‐to‐late pregnancy through peak lactation, some of which exhibited hair loss in the perinatal period (n = 15), and some of which did not (n = 11). We examined fetal measurements, infant birth weight, infant growth rate, and milk yield volume (MYV) in the first 30 days as indices of investment. We found that pregnant monkeys showed a greater incidence of hair loss across the study year (χ2(2) = 6.55, P = 0.038), and that mothers with hair loss had significantly higher HCCs in pregnancy than those without (F(2,28) = 3.8, P = 0.017, ηp2 = 0.21). HCCs in pregnancy were correlated with severity of hair loss in the neonatal period (r(37) = 0.42, P = 0.008). Moreover, HCCs in pregnancy were positively correlated with infant birth weight (r(12) = 0.56, P = 0.038), infant growth rate (r(12) = 0.64, P = 0.014), and MYV (r(11) = 0.85, P < 0.001) for alopecic but not non‐alopecic mothers. These mothers did not differ in fetal measurements, infant birth weight/growth rate, or MYV. Our results suggest that hair loss in some monkeys, especially during the birthing season, may be a signal of greater physiological stress during pregnancy and differential investment by mothers to their offspring. Am. J. Primatol. 79:e22489, 2017. © 2015 Wiley Periodicals, Inc.
A General Strategy for the Separation of Immiscible Organic Liquids by Manipulating the Surface Tensions of Nanofibrous Membranes
Authors: Wang Li , Zhao Yong , Tian Ye , Jiang Lei
Published: October 2015

Oil/water separation membranes with different wettability towards water are attractive for their economic efficiency and convenience. The key factor for the separation process is the roughness‐enhanced wettability of membranes based on the intrinsic wetting threshold (IWT) of water, that is, the limitation of the wettability caused by hydrophobicity and hydrophilicity. However, the separation of organic liquids (OLs) remains a challenge. Herein, we manipulate the surface tensions of nanofibrous membranes to lie between the IWTs of the two OLs to be separated so that the nanofibrous membranes can be endowed with superlyophobicity and superlyophilicity for the two liquids, and thus lead to successful separation. Our investigations provide a general strategy to separate any immiscible liquids efficiently, and may lead to the development of membranes with a large capacity, high flux, and high selectivity for organic reactions or liquid extraction in chemical engineering.
Cuprous Oxide Catalyzed Oxidative CC Bond Cleavage for CN Bond Formation: Synthesis of Cyclic Imides from Ketones and Amines
Authors: Wang Min , Lu Jianmin , Ma Jiping , Zhang Zhe , Wang Feng
Published: October 2015

Selective oxidative cleavage of a CC bond offers a straightforward method to functionalize organic skeletons. Reported herein is the oxidative CC bond cleavage of ketone for CN bond formation over a cuprous oxide catalyst with molecular oxygen as the oxidant. A wide range of ketones and amines are converted into cyclic imides with moderate to excellent yields. In‐depth studies show that both α‐CH and β‐CH bonds adjacent to the carbonyl groups are indispensable for the CC bond cleavage. DFT calculations indicate the reaction is initiated with the oxidation of the α‐CH bond. Amines lower the activation energy of the CC bond cleavage, and thus promote the reaction. New insight into the CC bond cleavage mechanism is presented.
Splitting a Substrate into Three Parts: Gold‐Catalyzed Nitrogenation of Alkynes by CC and CC Bond Cleavage
Authors: Qin Chong , Su Yijin , Shen Tao , Shi Xiaodong , Jiao Ning
Published: October 2015

A gold‐catalyzed nitrogenation of alkynes for the synthesis of carbamides and amino tetrazoles through CC and CC bond cleavages is described. A diverse set of functionalized carbamide and amino tetrazole derivatives were selectively constructed under mild conditions. The chemoselectivity can be easily switched by the selection of the acid additives. The reaction is characterized by its broad substrate scope, direct construction of high value products, easy operation under air, and mild conditions at room temperature. This chemistry provides a way to transform alkynes by splitting the substrate into three parts.
Total Synthesis of (+)‐MPC1001B
Authors: Kurogi Taichi , Okaya Shun , Fujiwara Hideto , Okano Kentaro , Tokuyama Hidetoshi
Published: October 2015

The first total synthesis of an epidithiodiketopiperazine alkaloid, (+)‐MPC1001B, was accomplished. This synthesis features a tetra‐n‐butylammonium fluoride mediated intramolecular aldol reaction for forming the 15‐membered macrolactone ring, and the construction of an epidithiodiketopiperazine substructure through a stepwise sulfenylation reaction involving a novel trityl trisulfide (TrSSS)‐group transfer.
Regioselective Synthesis and Characterization of Multinuclear Convex‐Bound Ruthenium‐[n]Cycloparaphenylene (n=5 and 6) Complexes
Authors: Kayahara Eiichi , Patel Vijay Kumar , Mercier Audrey , Kündig E. Peter , Yamago Shigeru
Published: October 2015

Mono‐ and multinuclear complexes of ruthenium and [n]cycloparaphenylene (CPP, n=5 and 6) were synthesized in excellent yields through ligand exchange of the cationic complex [(Cp)Ru(CH3CN)3](PF6) with CPP. In the multinuclear complexes, ruthenium selectively coordinated to alternate paraphenylene units to give bis‐ and tris‐coordinated Ru complexes for [5] and [6]CPPs, respectively. Single‐crystal X‐ray analysis revealed the Ru was coordinated with η6‐hapticity on the convex surface of CPP.
Immobilization of enzymes using non‐ionic colloidal liquid aphrons (CLAs): Activity kinetics, conformation, and energetics
Authors: Ward Keeran , Xi Jingshu , Stuckey David C.
Published: October 2015

This study seeks to examine the ability of non‐ionic/non‐polar Colloidial Liquid Aphrons (CLAs) to preserve enzyme functionality upon immobilization and release. CLAs consisting of micron‐sized oil droplets surrounded by a thin aqueous layer stabilized by a mixture of surfactants, were formulated by direct addition (pre‐manufacture addition) using 1% Tween 80/mineral oil and 1% Tween 20 and the enzymes lipase, aprotinin and α‐chymotrypsin. The results of activity assays for both lipase and α‐chymotrypsin showed that kinetic activity increased upon immobilization by factors of 7 and 5.5, respectively, while aprotinin retained approximately 85% of its native activity. The conformation of the enzymes released through desorption showed no significant alterations compared to their native state. Changes in pH and temperature showed that optimum conditions did not change after immobilization, while analysis of activation energy for the immobilized enzyme showed an increase in activity at higher temperatures. Furthermore, the effect of bound water within the aphron structure allowed for some degree of enzyme hydration, and this hydration was needed for an active conformation with results showing a decrease in ΔH* for the immobilized system compared to its native counterpart. Biotechnol. Bioeng. 2016;113: 970–978. © 2015 Wiley Periodicals, Inc.
Synthesis of Nickel Nanoparticles with N‐Doped Graphene Shells for Catalytic Reduction Reactions
Authors: Pisiewicz Sabine , Formenti Dario , Surkus Annette‐Enrica , Pohl Marga‐Martina , Radnik Jörg , Junge Kathrin , Topf Christoph , Bachmann Stephan , Scalone Michelangelo , Beller Matthias
Published: October 2015

The synthesis of novel nanoparticles is of general importance for the development of efficient heterogeneous catalysts. Herein, the preparation of carbon‐supported nickel‐based nanoparticles (NPs), modified by nitrogen‐doped graphene layers, is reported for the first time. The resulting materials were characterized in detail by TEM, X‐ray photoelectron spectroscopy (XPS), XRD, elemental analysis (EA), electron paramagnetic resonance (EPR), temperature‐programmed reduction (TPR), BET, and Raman analysis. Initial catalytic tests revealed the potential of this class of compounds in hydrogenation reactions.
Mesomeric Effects of Graphene Modified with Diazonium Salts: Substituent Type and Position Influence its Properties
Authors: Bouša Daniel , Jankovský Ondřej , Sedmidubský David , Luxa Jan , Šturala Jiří , Pumera Martin , Sofer Zdeněk
Published: October 2015

In the last decade, graphene and graphene derivatives have become some of the most intensively studied materials. Tuning of the electronic and electrochemical properties of graphene is of paramount importance. In this study, six diazonium‐modified graphenes containing different functional groups according to the diazonium salt precursor were investigated. These diazonium moieties have a strong mesomeric (resonance) effect and act as either electron‐donating or ‐withdrawing species. Different graphene precursors, such as thermally and chemically reduced graphenes were studied. All the products were characterized in detail by elemental combustion analysis, FTIR spectroscopy, Raman spectroscopy, high‐resolution X‐ray photoelectron spectroscopy (XPS), and cyclic voltammetry. Resistivity and zeta potential measurements were consistent with theoretical (DFT) calculations. The results show that chemical modification of graphene by diazotation strongly influences its properties, creating a huge application potential in microelectronics, energy storage and conversion devices, and electrocatalysis.
Chiral Lithiated Allylic α‐Sulfonyl Carbanions: Experimental and Computational Study of Their Structure, Configurational Stability, and Enantioselective Synthesis
Authors: Gerhards Frank , Griebel Nicole , Runsink Jan , Raabe Gerhard , Gais Hans‐Joachim
Published: October 2015

X‐ray crystal structure analysis of the lithiated allylic α‐sulfonyl carbanions [CH2CHC(Me)SO2Ph]Li⋅diglyme, [cC6H8SO2tBu]Li⋅PMDETA and [cC7H10SO2tBu]Li⋅PMDETA showed dimeric and monomeric CIPs, having nearly planar anionic C atoms, only OLi bonds, almost planar allylic units with strong CC bond length alternation and the s‐trans conformation around C1C2. They adopt a C1S conformation, which is similar to the one generally found for alkyl and aryl substituted α‐sulfonyl carbanions. Cryoscopy of [EtCHCHC(Et)SO2tBu]Li in THF at 164 K revealed an equilibrium between monomers and dimers in a ratio of 83:17, which is similar to the one found by low temperature NMR spectroscopy. According to NMR spectroscopy the lone‐pair orbital at C1 strongly interacts with the CC double bond. Low temperature 6Li,1H NOE experiments of [EtCHCHC(Et)SO2tBu]Li in THF point to an equilibrium between monomeric CIPs having only OLi bonds and CIPs having both OLi and C1Li bonds. Ab initio calculation of [MeCHCHC(Me)SO2Me]Li⋅(Me2O)2 gave three isomeric CIPs having the s‐trans conformation and three isomeric CIPs having the s‐cis conformation around the C1C2 bond. All s‐trans isomers are more stable than the s‐cis isomers. At all levels of theory the s‐trans isomer having OLi and C1Li bonds is the most stable one followed by the isomer which has two OLi bonds. The allylic unit of the C,O,Li isomer shows strong bond length alternation and the C1 atom is in contrast to the O,Li isomer significantly pyramidalized. According to NBO analysis of the s‐trans and s‐cis isomers, the interaction of the lone pair at C1 with the π* orbital of the CC double bond is energetically much more favorable than that with the “empty” orbitals at the Li atom. The C1S and C1C2 conformations are determined by the stereoelectronic effects nC–σSR* interaction and allylic conjugation. 1H DNMR spectroscopy of racemic [EtCHCHC(Et)SO2tBu]Li, [iPrCHCHC(iPr)SO2tBu]Li and [EtCHC(Me)C(Et)SO2tBu]Li in [D8]THF gave estimated barriers of enantiomerization of ΔG≠=13.2 kcal mol−1 (270 K), 14.2 kcal mol−1 (291 K) and 14.2 kcal mol−1 (295 K), respectively. Deprotonation of sulfone (R)‐EtCHCHCH(Et)SO2tBu (94 % ee) with nBuLi in THF at −105 °C occurred with a calculated enantioselectivity of 93 % ee and gave carbanion (M)‐[EtCHCHC(Et)SO2tBu]Li, the deuteration and alkylation of which with CF3CO2D and MeOCH2I, respectively, proceeded with high enantioselectivities. Time‐dependent deuteration of the enantioenriched carbanion (M)‐[EtCHCHC(Et)SO2tBu]Li in THF gave a racemization barrier of ΔG≠=12.5 kcal mol−1 (168 K), which translates to a calculated half‐time of racemization of t1/2=12 min at −105 °C.
Intramolecular OH⋅⋅⋅Fluorine Hydrogen Bonding in Saturated, Acyclic Fluorohydrins: The γ‐Fluoropropanol Motif
Authors: Linclau Bruno , Peron Florent , Bogdan Elena , Wells Neil , Wang Zhong , Compain Guillaume , Fontenelle Clement Q. , Galland Nicolas , Le Questel Jean‐Yves , Graton Jérôme
Published: October 2015

Fluorination is commonly exercised in compound property optimization. However, the influence of fluorination on hydrogen‐bond (HB) properties of adjacent functional groups, as well as the HB‐accepting capacity of fluorine itself, is still not completely understood. Although the formation of OH⋅⋅⋅F intramolecular HBs (IMHBs) has been established for conformationally restricted fluorohydrins, such interaction in flexible compounds remained questionable. Herein is demonstrated for the first time—and in contrast to earlier reports—the occurrence of OH⋅⋅⋅F IMHBs in acyclic saturated γ‐fluorohydrins, even for the parent 3‐fluoropropan‐1‐ol. The relative stereochemistry is shown to have a crucial influence on the corresponding h1JOH⋅⋅⋅F values, as illustrated by syn‐ and anti‐4‐fluoropentan‐2‐ol (6.6 and 1.9 Hz). The magnitude of OH⋅⋅⋅F IMHBs and their strong dependence on the overall molecular conformational profile, fluorination motif, and alkyl substitution level, is rationalized by quantum chemical calculations. For a given alkyl chain, the “rule of shielding” applies to OH⋅⋅⋅F IMHB energies. Surprisingly, the predicted OH⋅⋅⋅F IMHB energies are only moderately weaker than these of the corresponding OH⋅⋅⋅OMe. These results provide new insights of the impact of fluorination of aliphatic alcohols, with attractive perspectives for rational drug design.
The Renaissance of an Old Problem: Highly Regioselective Carboxylation of 2‐Alkynyl Bromides with Carbon Dioxide
Authors: Miao Bukeyan , Li Gen , Ma Shengming
Published: October 2015

A steric effect‐controlled, zinc‐mediated carboxylation of different 2‐alkynyl bromides under an atmospheric pressure of CO2 has been developed by careful tuning of different reaction parameters, including the metal, solvent, temperature, and additive. 2‐Substituted 2,3‐allenoic acids were afforded from primary 2‐alkynyl bromides, whereas the carboxylation of secondary 2‐alkynyl bromides yielded 3‐alkynoic acids in decent yields. A rationale for the observed regioselectivity has been proposed.
Unique Separation Behavior of a C60 Fullerene‐Bonded Silica Monolith Prepared by an Effective Thermal Coupling Agent
Authors: Kubo Takuya , Murakami Yoshiki , Tsuzuki Madoka , Kobayashi Hiroshi , Naito Toyohiro , Sano Tomoharu , Yan Mingdi , Otsuka Koji
Published: October 2015

Herein, we report a newly developed C60 fullerene‐bonded silica monolith in a capillary with unique retention behavior due to the structure of C60 fullerene. N‐Hydroxysuccinimide (NHS)‐conjugated C60 fullerene was successfully synthesized by a thermal coupling agent, perfluorophenyl azide (PFPA), and assigned by spectroscopic analyses. Then, NHS‐PFPA‐C60 fullerene was attached onto the surface of a silica monolith in a capillary. The capillary provided specific separation ability for polycyclic aromatic hydrocarbons in liquid chromatography by an effective π–π interaction. Furthermore, corannulene, which has a hemispherical structure, was selectively retained in the capillary based on the specific structural recognition due to the spherical C60 fullerene. This is the first report revealing the spherical recognition ability by C60 fullerene in liquid chromatographic separation.
Synthesis and Evaluation of Hybrid Structures Composed of Two Glucosylceramide Synthase Inhibitors
Authors: van den Berg Richard J. B. H. N. , van Rijssel Erwin R. , Ferraz Maria Joao , Houben Judith , Strijland Anneke , Donker‐Koopman Wilma E. , Wennekes Tom , Bonger Kimberly M. , Ghisaidoobe Amar B. T. , Hoogendoorn Sascha , van der Marel Gijsbert A. , Codée Jeroen D. C. , Overkleeft Herman S. , Aerts Johannes M. F. G.
Published: October 2015

Glucosylceramide metabolism and the enzymes involved have attracted significant interest in medicinal chemistry, because aberrations in the levels of glycolipids that are derived from glucosylceramide are causative in a range of human diseases including lysosomal storage disorders, type 2 diabetes, and neurodegenerative diseases. Selective modulation of one of the glycoprocessing enzymes involved in glucosylceramide metabolism—glucosylceramide synthase (GCS), acid glucosylceramidase (GBA1), or neutral glucosylceramidase (GBA2)—is therefore an attractive research objective. In this study we took two established GCS inhibitors, one based on deoxynojirimycin and the other a ceramide analogue, and merged characteristic features to obtain hybrid compounds. The resulting 39‐compound library does not contain new GCS inhibitors; however, a potent (200 nm) GBA1 inhibitor was identified that has little activity toward GBA2 and might therefore serve as a lead for further biomedical development as a selective GBA1 modulator.
Vector data flow analysis for SIMD optimizations on OpenCL programs
Authors: Lin Yu‐Te , Lee Jenq‐Kuen
Published: October 2015

Multi‐core systems equipped with micro processing units and accelerators such as digital signal processors (DSPs) and graphics processing units (GPUs) have become a major trend in processor design in recent years in attempts to meet ever‐increasing application performance requirements. Open Computing Language (OpenCL) is one of the programming languages that include new extensions proposed to exploit the computing power of these kinds of processors. Among the newly extended language features, the single‐instruction multiple‐data (SIMD) linguistics and vector types are added to OpenCL to exploit hardware features of the accelerators. The addition makes it necessary to consider how traditional compiler data flow analysis can be adopted to meet the optimization requirements of vector linguistics. In this paper, we propose a calculus framework to support the data flow analysis of vector constructs for OpenCL programs that compilers can use to perform SIMD optimizations. We model OpenCL vector operations as data access functions in the style of mathematical functions. We then show that the data flow analysis for OpenCL vector linguistics can be performed based on the data access functions. Based on the information gathered from data flow analysis, we illustrate a set of SIMD optimizations on OpenCL programs. The experimental results incorporating our calculus and our proposed compiler optimizations show that the proposed SIMD optimizations can provide average performance improvements of 22% on x86 CPUs and 4% on advanced micro devices GPUs. For the selected 15 benchmarks, 11 of them are improved on x86 CPUs, and six of them are improved on advanced micro devices GPUs. The proposed framework has the potential to be used to construct other SIMD optimizations on OpenCL programs. Copyright © 2015 John Wiley & Sons, Ltd.
Non‐Oxidative Dehydrogenation Pathways for the Conversion of C2–C4 Alcohols to Carbonyl Compounds
Authors: Shylesh Sankaranarayanapillai , Kim Daeyoup , Ho Christopher R. , Johnson Gregory R. , Wu Jason , Bell Alexis T.
Published: October 2015

Gold nanoparticles (NPs) supported on hydrotalcite (Au/HT) are highly active and selective catalysts for the continuous, gas‐phase, non‐oxidative dehydrogenation of bioderived C2–C4 alcohols. A sharp increase in turn over frequency (TOF) is noted when the size of Au NPs is less than 5 nm relating to the strong synergy between metallic Au NPs and the acid–base groups on the support surface. It is shown that catalytic activity depends critically on Au NP size, support composition, and support pretreatments. A reaction pathway elucidated from kinetic isotope effects suggests that the abstraction of β‐H by Au NPs (C−H activation) is the rate‐determining step in the dehydrogenation of bioderived C2–C4 alcohols.
Swimming through sand: connectivity of aquatic fauna in deserts
Authors: Murphy Ashley L. , Pavlova Alexandra , Thompson Ross , Davis Jenny , Sunnucks Paul
Published: October 2015

Freshwater ecosystems in arid regions range from highly fragmented to highly connected, and connectivity has been assumed to be a major factor in the persistence of aquatic biota in arid environments. This review sought to synthesize existing research on genetic estimation of population connectivity in desert freshwaters, identify knowledge gaps, and set priorities for future studies of connectivity in these environments. From an extensive literature search, we synthesized the approaches applied, systems studied, and conclusions about connectivity reached in population genetic research concerning desert freshwater connectivity globally. We restrict our scope to obligate aquatic fauna that disperse largely via freshwaters and exclude those with active aerial dispersal abilities. We examined 92 papers, comprising 133 studies, published from 1987 to 2014. Most described studies of fishes and invertebrates in the deserts of Australia and North America. Connectivity declined with increasing scale, but did not differ significantly among arid regions or taxonomic classes. There were significant differences in connectivity patterns between species with different dispersal abilities, and between spring and riverine habitats at local scales. Population connectivity in desert freshwaters is typically most influenced by the ecology of the species concerned and hydrological connectivity. Most studies did not assess predefined models of connectivity, but described gene flow and/or genetic structure. Climate change and anthropogenic impacts worldwide are likely to increase the incidence and impact of habitat fragmentation in already threatened desert freshwaters. To reduce this risk, biodiversity conservation and environmental management must address connectivity, but often the required information does not exist. Researchers can provide this by explicitly considering the effects of hydrology and species’ ecology on connectivity, and incorporating these into connectivity models, which are vital for understanding connectivity in desert freshwaters.
Insertion of a [FeII(pyimH)3]2+ [pyimH = 2‐(1H‐Imidazol‐2‐yl)pyridine] Spin‐Crossover Complex Inside a Ferromagnetic Lattice Based on a Chiral 3D Bimetallic Ox­alate Network
Authors: López‐Jordà Maurici , Giménez‐Marqués Mónica , Desplanches Cédric , Mínguez Espallargas Guillermo , Clemente‐León Miguel , Coronado Eugenio
Published: October 2015

The insertion of the [FeII(pyimH)3]2+ [pyimH = 2‐(1H‐imidazol‐2‐yl)pyridine] spin‐crossover complex into a ferromagnetic bimetallic oxalate network affords the hybrid compound [FeII(pyimH)3][MnIICrIII(ox)3]2·X (ox = C2O42–). This spin‐crossover complex templates the growth of crystals formed by a chiral 3D oxalate network. The magnetic properties of this hybrid magnet show the coexistence of long‐range ferromagnetic ordering at 4.5 K and a spin crossover of the intercalated [FeII(pyimH)3]2+ complex above 250 K. The compound presents a light‐induced excited spin‐state trapping (LIESST) effect below 60 K although with limited photoconversion (less than 8 %).
Voltammetric Detection of Captopril on Graphite Screen Printed Electrodes
Authors: Areias Madalena C. C. , Toh Her Shuang , Lee Patricia T. , Compton Richard G.
Published: October 2015

We report the electrochemical detection of captopril on commercially available screen printed electrodes (GSPE); it exploits the silver residue left behind on a GSPE during its manufacturing process and involves the catalytic formation of the silver thiol complex (Ag++RSH→AgSR+H+) at potentials corresponding to the oxidation of silver. The oxidation of the silver thiol complex was found to vary linearly with the captopril concentration up to 0.8 mM. A sensitivity of 13.34±0.58 μA mM−1 is reported with a limit of detection of 4.27±0.18 μM.
The Chemical Aquatic Fate and Effects database (CAFE), a tool that supports assessments of chemical spills in aquatic environments
Authors: Bejarano Adriana C. , Farr James K. , Jenne Polly , Chu Valerie , Hielscher Al
Published: October 2015

The Chemical Aquatic Fate and Effects (CAFE) database is a centralized repository that allows for rapid and unrestricted access to data. Information in CAFE is integrated into a user-friendly tool with modules containing fate and effects data for 32 377 and 4498 chemicals, respectively. Toxicity data are summarized in the form of species sensitivity distributions (SSDs) with associated 1st and 5th percentile hazard concentrations (HCs). An assessment of data availability relative to reported chemical incidents showed that CAFE had fate and toxicity data for 32 and 20 chemicals, respectively, of 55 chemicals reported in the US National Response Center database (2000–2014), and fate and toxicity data for 86 and 103, respectively, of 205 chemicals reported by the National Oceanic and Atmospheric Administration (2003–2014). Modeled environmental concentrations of 2 hypothetical spills (acrylonitrile, 625 barrels; and denatured ethanol, 857 barrels) were used to demonstrate CAFE's practical application. Most species in the 24-h SSD could be potentially impacted by acrylonitrile and denatured ethanol during the first 35 min and 15 h post spill, respectively, with concentrations falling below their HC5s (17 mg/L and 2676 mg/L) at 45 min and 60 h post spill, respectively. Comparisons of CAFE-based versus published HC5 values for 100 chemicals showed that nearly half of values were within a 2-fold difference, with a relatively small number of comparisons exceeding a 10-fold difference. The development of CAFE facilitates access to relevant environmental information, with potential uses likely expanding beyond those related to assessment of spills in aquatic environments. Environ Toxicol Chem 2016;35:1576–1586. © 2015 SETAC
An embedded approach for immiscible multi‐fluid problems
Authors: Ryzhakov P. B. , Jarauta A.
Published: October 2015

An embedded formulation for the simulation of immiscible multi‐fluid problems is proposed. The method is particularly designed for handling gas–liquid systems. Gas and liquid are modeled using the Eulerian and the Lagrangian formulation, respectively. The Lagrangian domain (liquid) moves on top of the fixed Eulerian mesh. The location of the material interface is exactly defined by the position of the boundary mesh of the Lagrangian domain. The individual fluid problems are solved in a partitioned fashion and are coupled using a Dirichlet–Neumann algorithm. Representation of the pressure discontinuity across the interface does not require any additional techniques being an intrinsic feature of the method. The proposed formulation is validated, and its potential applications are shown. Copyright © 2015 John Wiley & Sons, Ltd.
Genetic characterization of T‐PLL reveals two major biologic subgroups and JAK3 mutations as prognostic marker
Authors: Stengel Anna , Kern Wolfgang , Zenger Melanie , Perglerová Karolína , Schnittger Susanne , Haferlach Torsten , Haferlach Claudia
Published: October 2015

T‐cell prolymphocytic leukemia (T‐PLL) is a rare post‐thymic T‐cell neoplasm with aggressive clinical course and short overall survival. So far, due to the rareness of this disease, genetic data are available only from individual cases or small cohorts. In our study, we aimed at performing a comprehensive cytogenetic and molecular genetic characterization of T‐PLL comprising the largest cohort of patients with T‐PLL analyzed so far, including correlations between the respective markers and their impact on prognosis. Genetic abnormalities were found in all 51 cases with T‐PLL, most frequently involving the TCRA/D locus (86%). Deletions were detected for ATM (69%) and TP53 (31%), whereas i(8)(q10) was observed in 61% of cases. Mutations in ATM, TP53, JAK1, and JAK3 were detected in 73, 14, 6, and 21% of patients, respectively. Additionally, BCOR mutations were observed for the first time in a lymphoid malignancy (8%). Two distinct genetic subgroups of T‐PLL were identified: A large subset (86% of patients) showed abnormalities involving the TCRA/D locus activating the proto‐oncogenes TCL1 or MTCP1, while the second group was characterized by a high frequency of TP53 mutations (4/7 cases). Further, analyses of overall survival identified JAK3 mutations as important prognostic marker, showing a significant negative impact. © 2015 Wiley Periodicals, Inc.
Mutations in genes encoding PI3K‐AKT and MAPK signaling define anogenital papillary hidradenoma
Authors: Pfarr Nicole , Sinn Hans‐Peter , Klauschen Frederick , Flechtenmacher Christa , Bockmayr Michael , Ridinger Kathrin , von Winterfeld Moritz , Warth Arne , Lorenz Katja , Budczies Jan , Penzel Roland , Lennerz Jochen K. , Endris Volker , Weichert Wilko , Stenzinger Albrecht
Published: October 2015

Papillary hidradenoma (a.k.a. hidradenoma papilliferum) is a benign tumor of the anogenital region that almost exclusively arises in middle‐aged Caucasian women. These tumors may recur and rare cases of malignant development have been reported. The genetic basis of papillary hidradenoma is currently unknown. Hence, we employed targeted high‐coverage next generation sequencing interrogating 50 cancer‐related genes and conventional Sanger sequencing to investigate the mutational landscape in a cohort of 15 cases. Additionally, we analyzed the HPV status of these tumors. Thirteen cases (87%) harbored mutations in cancer‐related genes. Recurrent mutations in PIK3CA and AKT1 were present in 10 of the cases (67%). One PIK3CA mutated case had a concomitant STK11 mutation. Three cases harbored mutually exclusive mutations in BRAF, APC and ERBB4. The remaining two cases showed no mutations. None of the cases harbored DNA of human papilloma virus. Our results also provide evidence that –just as BRAF V600E mutations in hyperplastic polyps and benign nevi‐ a mutated driver gene does not imply malignant behavior per se but may set the basis for malignant transformation. The latter point may explain why rare cases of papillary hidradenoma have been reported to take a malignant course. Lastly, our genetic data may suggest treatment avenues beyond conventional surgery for some of these tumors. © 2015 Wiley Periodicals, Inc.
Polymeric scaffolds in tissue engineering: a literature review
Authors: Jafari Maissa , Paknejad Zahrasadat , Rad Maryam Rezai , Motamedian Saeed Reza , Eghbal Mohammad Jafar , Nadjmi Nasser , Khojasteh Arash
Published: October 2015

The tissue engineering scaffold acts as an extracellular matrix that interacts to the cells prior to forming new tissues. The chemical and structural characteristics of scaffolds are major concerns in fabricating of ideal three‐dimensional structure for tissue engineering applications. The polymer scaffolds used for tissue engineering should possess proper architecture and mechanical properties in addition to supporting cell adhesion, proliferation, and differentiation. Much research has been done on the topic of polymeric scaffold properties such as surface topographic features (roughness and hydrophilicity) and scaffold microstructures (pore size, porosity, pore interconnectivity, and pore and fiber architectures) that influence the cell–scaffold interactions. In this review, efforts were given to evaluate the effect of both chemical and structural characteristics of scaffolds on cell behaviors such as adhesion, proliferation, migration, and differentiation. This review would provide the fundamental information which would be beneficial for scaffold design in future. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 431–459, 2017.
A Meta-Analysis of Trabecular Bone Score in Fracture Risk Prediction and Its Relationship to FRAX
Authors: McCloskey Eugene V , Odén Anders , Harvey Nicholas C , Leslie William D , Hans Didier , Johansson Helena , Barkmann Reinhard , Boutroy Stephanie , Brown Jacques , Chapurlat Roland , Elders Petra JM , Fujita Yuki , Glüer Claus-C , Goltzman David , Iki Masayuki , Karlsson Magnus , Kindmark Andreas , Kotowicz Mark , Kurumatani Norio , Kwok Timothy , Lamy Oliver , Leung Jason , Lippuner Kurt , Ljunggren Östen , Lorentzon Mattias , Mellström Dan , Merlijn Thomas , Oei Ling , Ohlsson Claes , Pasco Julie A , Rivadeneira Fernando , Rosengren Björn , Sornay-Rendu Elisabeth , Szulc Pawel , Tamaki Junko , Kanis John A
Published: October 2015

Trabecular bone score (TBS) is a gray-level textural index of bone microarchitecture derived from lumbar spine dual-energy X-ray absorptiometry (DXA) images. TBS is a bone mineral density (BMD)-independent predictor of fracture risk. The objective of this meta-analysis was to determine whether TBS predicted fracture risk independently of FRAX probability and to examine their combined performance by adjusting the FRAX probability for TBS. We utilized individual-level data from 17,809 men and women in 14 prospective population-based cohorts. Baseline evaluation included TBS and the FRAX risk variables, and outcomes during follow-up (mean 6.7 years) comprised major osteoporotic fractures. The association between TBS, FRAX probabilities, and the risk of fracture was examined using an extension of the Poisson regression model in each cohort and for each sex and expressed as the gradient of risk (GR; hazard ratio per 1 SD change in risk variable in direction of increased risk). FRAX probabilities were adjusted for TBS using an adjustment factor derived from an independent cohort (the Manitoba Bone Density Cohort). Overall, the GR of TBS for major osteoporotic fracture was 1.44 (95% confidence interval [CI] 1.35–1.53) when adjusted for age and time since baseline and was similar in men and women (p > 0.10). When additionally adjusted for FRAX 10-year probability of major osteoporotic fracture, TBS remained a significant, independent predictor for fracture (GR = 1.32, 95% CI 1.24–1.41). The adjustment of FRAX probability for TBS resulted in a small increase in the GR (1.76, 95% CI 1.65–1.87 versus 1.70, 95% CI 1.60–1.81). A smaller change in GR for hip fracture was observed (FRAX hip fracture probability GR 2.25 vs. 2.22). TBS is a significant predictor of fracture risk independently of FRAX. The findings support the use of TBS as a potential adjustment for FRAX probability, though the impact of the adjustment remains to be determined in the context of clinical assessment guidelines. © 2015 American Society for Bone and Mineral Research.
An Analytic Framework for Evaluating the Validity of Concept Inventory Claims
Authors: Jorion Natalie , Gane Brian D. , James Katie , Schroeder Lianne , DiBello Louis V. , Pellegrino James W.
Published: October 2015

Background

Concept inventories (CIs) are commonly used in engineering disciplines to assess students' conceptual understanding and to evaluate instruction, but educators often use CIs without sufficient evidence that a structured approach has been applied to validate inferences about student thinking.

Purpose

We propose an analytic framework for evaluating the validity arguments of CIs. We focus on three types of claims: that CI scores enable one to infer (1) students' overall understanding of all concepts identified in the CI, (2) students' understanding of specific concepts, and (3) students' propensity for misconceptions or common errors.

Method

We applied our analytic framework to three CIs: the Concept Assessment Tool for Statics (CATS), the Statistics Concept Inventory (SCI), and the Dynamics Concept Inventory (DCI).

Results

Using our analytic framework, we found varying degrees of support for each type of claim. CATS and DCI analyses indicated that the CIs could reliably measure students' overall understanding of all concepts identified in the CI, whereas SCI analyses provided limited evidence for this claim. Analyses revealed that the CATS could accurately measure students' understanding of specific concepts; analyses for the other two CIs did not support this claim. None of the CI analyses provided evidence that the instruments could reliably measure students' misconceptions and common errors.

Conclusions

Our analytic framework provides a structure for evaluating CI validity. Engineering educators can apply this framework to evaluate aspects of CI validity and make more warranted uses and interpretations of CI outcome scores.
Entropy of corneal nerve fibers distribution observed by laser scanning confocal microscopy: A noninvasive quantitative method to characterize the corneal innervation in Sjogren's syndrome patients
Authors: Bianciardi Giorgio , Latronico Maria Eugenia , Traversi Claudio
Published: October 2015

Sjogren's syndrome (SS) is a progressive autoimmune condition mainly affecting the salivary and lacrimal glands with an incidence of primary SS between 1/100 and 1/1,000. SS implies an alteration in the epithelium and subepithelium innervation, with consequent reduction of corneal sensitivity. It is necessary to have noninvasive quantitative methods to characterize the status of the corneal nerve fibers of the patients in order to choose and follow the best therapy. Entropy (information dimension) of the nerve corneal fibers distribution observed by confocal microscopy was evaluated in patients with primary SS (n = 30, 6 males, 24 females, 21–81 years), diagnosed by biopsy of salivary gland and blood tests and in sex‐ age‐matched healthy subjects (n = 12). Corneal nerve fiber density, Langerhans cell count, and cell density in the nerve plexus images were also evaluated. In selected patients salivary gland atrophy degree was also evaluated. Nerve corneal distribution observed by confocal microscopy is fractal. Entropy of the corneal nerve distribution statistically distinguishes between SS patients and healthy subjects: patients present a lower value of information dimension of the corneal nerve fibers distribution than healthy individuals (P < 0.001). Percentage of grouped cases classified by entropy according to the subjects (selected patients vs. healthy) showed a 100% sensitivity and 96% specificity, P < 0.0001 with a low value of coefficient of variation among the individuals (6–7 times lower than the other morphometric indexes). Entropy correlated with the severity of the disease (salivary gland atrophy degree, P < 0.01). Evaluation of entropy of the corneal nerve distribution observed by a laser confocal microscopy appears to quantitatively and noninvasively characterize an aspect of the SS patients in relation to the recognition of an impairment of their ocular surface, giving us for the first time a method to objectively and precisely characterize the corneal innervation status in the SS patients. Microsc. Res. Tech. 78:1069–1074, 2015. © 2015 Wiley Periodicals, Inc.
Multidisciplinary approach of lumbo‐sacral chordoma: From oncological treatment to reconstructive surgery
Authors: Garofalo Fabio , di Summa Pietro G. , Christoforidis Dimitrios , Pracht Marc , Laudato Pietro , Cherix Stéphane , Bouchaab Hanan , Raffoul Wassim , Demartines Nicolas , Matter Maurice
Published: October 2015

Lumbo‐sacral chordoma is a rare, slow‐growing tumor, arising from embryonic nothocordal remnants. Wide en bloc excision with clear margins remains mandatory to achieve satisfactory recurrence rates and disease‐free survival. No chemotherapy has been demonstrated to be effective and radiotherapy is only marginally effective. Tyrosine kinase receptor inhibitors have showed encouraging results in locally advanced and metastatic chordoma. Reconstructive surgery may become very complex. Multidisciplinary approach in tertiary hospitals is always necessary. J. Surg. Oncol. 2015; 112:544–554. © 2015 Wiley Periodicals, Inc.
The Potential for Waste‐Derived Materials to Form Soil Covers for the Restoration of Mine Tailings in Ireland
Authors: Smart David , Callery Sean , Courtney Ronan
Published: October 2015

Revegetation of mine tailings sites can require significant amounts of topsoil, the sourcing of which can be costly and have detrimental impacts. To address this problem at an Irish mine tailings site, engineered soils were created by mixing varying rates of glacial till with stockpiled peat and compost. Soil status was assessed using a range of soil parameters and vegetation growth characteristics and compared with locally sourced topsoil. Hordeum vulgare (Barley) germination and growth trials were assessed on engineered soils: compost with glacial till, peat with glacial till, compost/ peat with glacial till and topsoil. A range of soil quality parameters were examined including: nutrient status, dehydrogenase activity, metals availability and physical characteristics (bulk/particle density and porosity). Results demonstrate that compost derived soils yielded superior plant biomass and nutrient content, whilst peat derived treatments exhibited nutrient deficiency. Whilst the engineered soils offer potential as an alternative to sourcing topsoil for covering mine tailings, the phosphorus and metal content of composts should be assessed prior to inclusion. Copyright © 2015 John Wiley & Sons, Ltd.
Stability of impulsive systems depending on a parameter
Authors: Ghanmi Boulbaba
Published: October 2015

In this paper, we present a practical exponential stability result for impulsive dynamic systems depending on a parameter. Stability theorem and converse stability theorem are established by employing the second Lyapunov method. These theorems are used to analyze the practical exponential stability of the solution of perturbed impulsive systems and cascaded impulsive systems, depending on a parameter. Copyright © 2015 John Wiley & Sons, Ltd.
A novel attempt for finding comparatively accurate solution for sine‐Gordon equation comprising Riesz space fractional derivative
Authors: Gupta A. K. , Ray S. Saha
Published: October 2015

In this paper, a numerical procedure involving Chebyshev wavelet method has been implemented for computing the approximate solution of Riesz space fractional sine‐Gordon equation (SGE). Two‐dimensional Chebyshev wavelet method is implemented to calculate the numerical solution of space fractional SGE. The fractional SGE is considered as an interpolation between the classical SGE (corresponding to α = 2) and nonlocal SGE (corresponding to α = 1). As a consequence, the approximate solutions of fractional SGE obtained by using Chebyshev wavelet approach were compared with those derived by using modified homotopy analysis method with Fourier transform. Copyright © 2015 John Wiley & Sons, Ltd.
Convergence of a numerical scheme for SPDEs with correlated noise and global Lipschitz coefficients
Authors: Kamrani Minoo
Published: October 2015

The aim of this paper is to investigate the pathwise numerical solution of semilinear parabolic stochastic partial differential equations (SPDEs) with colored noise instead of the usual space–time white noise. We estimate the numerical solution in the L∞ topology by a method that takes advantages of the smoothing effect of the dominant linear operator. We consider the case the covariance operator of the forcing does not necessarily commute with the linear operator of the SPDE because of the fact that the Brownian motions are not necessarily independent. We show convergence of this method, and numerical examples give insight into the reliability of the theoretical study. Copyright © 2015 John Wiley & Sons, Ltd.