bluuebunny/crossref_metadata_2025 huggingface dataset:
Essential oil and volatile emissions of basil (Ocimum basilicum) leaves exposed to NaCl or Na2SO4 salinity
Authors: Tarchoune Imen , Baâtour Olfa , Harrathi Jamel , Cioni Pier Luigi , Lachaâl Mokhtar , Flamini Guido , Ouerghi Zeineb
Published: August 2013

The volatile compounds emitted by living leaves of basil (Ocimum basilicum L. cv. Genovese) plants under saline conditions were investigated by means of headspace–solid phase microextraction (HS‐SPME) and gas chromatography coupled with mass spectrometry (GC–MS). Furthermore, the composition of the essential oil obtained by hydrodistillation of the leaves was studied. Plants were grown for 15 d without salt or with an equimolar concentration of Na+ in the form of Na2SO4 (25 mM) and NaCl (50 mM), after which the growth, the essential oil, and the volatile constituents of the leaves were determined. Fifty‐four components were identified belonging to different chemical classes. Under control conditions, the essential oil was rich in linalool (45.9%), 1,8‐cineole (16.7%), eugenol (10.3%), trans‐α‐bergamotene, and epi‐α‐cadinol (4.9%). The main volatiles detected in the headspace of leaves of untreated basil plants were linalool (29.8%), followed by 1,8‐cineole (19.2%), trans‐α‐bergamotene (10.0%), and eugenol (7.0%). Under saline conditions, leaf growth was more depressed by 25 mM Na2SO4 than 50 mM NaCl, and essential oil concentration increased by 22% in the NaCl, but decreased by 18% in the Na2SO4 treatment, respectively. Both salts caused some changes in the essential oil and composition of volatile compounds. Most prominent was a strong negative correlation between eugenol and methyleugenol proportions, which may indicate an enhancement of the O‐methyltransferase activity. In comparison to the essential oil, the composition of volatiles showed some variations in their emission profile under both salts, the most important was an increase of eugenol. It is therefore concluded that the decrease of eugenol occurring in basil essential oil caused by both salts could be due to the enhancement of the eugenol O‐methyltransferase activity, an enzyme that accepts eugenol as substrate, generating methyl eugenol, and also to the increase of the eugenol emission as shown by the SPME profile.
Polysaccharides from Liriopes Radix ameliorates hyperglycemia via various potential mechanisms in diabetic rats
Authors: Xiao Zuo‐qi , Wang Yong‐long , Gan Su‐ran , Chen Jia‐chun
Published: August 2013

BACKGROUND

Liriopes Radix, which is regarded as both drug and healthy diet, is drunk as tea and used in traditional Chinese medicine to treat diabetes. Based on our previous studies, investigated the hypoglycemic effects and explored the mechanisms of total polysaccharides from Liriope spicata var. prolifera (Liriopes Radix) in a diabetic rat model.

RESULTS

TLSP reduced hyperglycemia in diabetic rats. The oral glucose tolerance test showed that TLSP could improve the glucose tolerance of diabetic rats. Damage to liver and pancreas tissue was inhibited after treatment with TLSP. Moreover, TLSP increased glycogen content, glucokinase (GK) and glycogen synthetase (GS) activities, and suppressed the elevation of glucose‐6‐phosphatase (G6Pase) and glycogen phosphorylase (GP) activities in liver. Compared with the diabetic control group, GK and GS mRNA expression were significantly elevated, while G6Pase and GP mRNA expression were decreased in TLSP groups. In addition, TLSP could inhibit glycogen synthase kinase‐3β expression and increase insulin receptor, insulin receptor substrate‐1, phosphoinositide 3‐kinase, protein kinase B and glucose transport protein‐4 expression in liver.

CONCLUSION

TLSP showed hypoglycemic function. Improvement of glucose metabolism and insulin‐signaling transduction were possible mechanisms. © 2013 Society of Chemical Industry
Graphene‐Functionalized Carbon Nanotubes for Conducting Polymer Nanocomposites and Their Improved Strain Sensing Properties
Authors: Eswaraiah Varrla , Jyothirmayee Aravind S. S. , Balasubramaniam Krishnan , Ramaprabhu Sundara
Published: August 2013

Functionalization of carbon nanotubes (CNTs) is essential for the dispersion of CNTs in polymer matrices due to their inherence. However, conventional functional groups are insulating in nature, thereby destroying the basic structure of the CNTs and their electrical conductivity due to the harsh and long‐period acid treatments. Hence, a new method of functionalization is essential. In this article, a poly(vinyliedene fluoride) (PVDF) composite comprising graphene wrapped CNTs as a conducting filler is described. A strain‐gauge factor of ≈20 at low strain levels (0.1%) is with a 3 wt% graphene wrapped CNT hybrid in PVDF, which overwhelms conventional metal foil strain gauges as well as functionalized CNT or functionalized graphene based polymer composites for strain sensing.

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The factorization method for inverse acoustic scattering by a penetrable anisotropic obstacle
Authors: Kirsch Andreas , Liu Xiaodong
Published: August 2013

This paper is devoted to studying the factorization method applied to the inverse problem of reconstructing a penetrable anisotropic obstacle from far field patterns. We proved the validity of the factorization method. Copyright © 2013 John Wiley & Sons, Ltd.
Global existence of classical solutions of Goursat problem for quasilinear hyperbolic systems with BV data
Authors: Shao Zhi‐Qiang
Published: August 2013

We investigate the existence of a global classical solution to the Goursat problem for linearly degenerate quasilinear hyperbolic systems. As the result in [A. Bressan, Contractive metrics for nonlinear hyperbolic systems, Indiana Univ. Math. J. 37 (1988) 409–421] suggests that one may achieve global smoothness even if theC1norm of the initial data is large, we prove that, if theC1norm of the boundary data is bounded but possibly large, and the BV norm of the boundary data is sufficiently small, then the solution remainsC1globally in time. Applications include the equation of time‐like extremal surfaces in Minkowski spaceR1 + (1 + n)and the one‐dimensional Chaplygin gas equations. Copyright © 2013 John Wiley & Sons, Ltd.
Endoplasmic reticulum stress in adipose tissue determines postprandial lipoprotein metabolism in metabolic syndrome patients
Authors: Camargo Antonio , Meneses Maria E. , Rangel‐Zuñiga Oriol A. , Perez‐Martinez Pablo , Marin Carmen , Delgado‐Lista Javier , Paniagua Juan A. , Tinahones Francisco J. , Roche Helen , Malagon Maria M. , Perez‐Jimenez Francisco , Lopez‐Miranda Jose
Published: August 2013

Scope

Our aim was to ascertain whether the quality and quantity of fat in the diet may influence the ER stress at the postprandial state in adipose tissue by analyzing the gene expression of chaperones, folding enzymes, and activators of the UPR.

Methods and results

A randomized, controlled trial conducted within the LIPGENE study assigned 39 MetS patients to one of four diets: high‐SFA (HSFA; 38% energy (E) from fat, 16% E as SFA), high MUFA (HMUFA; 38% E from fat, 20% E as MUFA), and two low‐fat, high‐complex carbohydrate (LFHCC; 28% E from fat) diets supplemented with 1.24 g/day of long‐chain n‐3 PUFA or placebo for 12 wk each. A fat challenge reflecting the same fatty acid composition as the original diets was conducted post intervention. sXBP‐1 is induced in the postprandial state irrespective of the diet consumed (p < 0.001). BiP increases postprandially after consumption of diets HMUFA (p = 0.006), LFHCC (p = 0.028), and LFHCC n‐3 (p = 0.028). Postprandial mRNA expression levels of CRL, CNX, PDIA3, and GSTP1 in AT did not differ between the different types of diets.

Conclusion

Our results suggest that upregulation of the unfolded protein response at the postprandial state may represent an adaptive mechanism to counteract diet‐induced stress.
Taurine improves obesity‐induced inflammatory responses and modulates the unbalanced phenotype of adipose tissue macrophages
Authors: Lin Shan , Hirai Shizuka , Yamaguchi Yuko , Goto Tsuyoshi , Takahashi Nobuyuki , Tani Fumito , Mutoh Chikako , Sakurai Takanobu , Murakami Shigeru , Yu Rina , Kawada Teruo
Published: August 2013

Scope

It is increasingly accepted that chronic inflammation is a feature of obesity. Obesity‐induced inflammation triggers enhanced recruitment of macrophages into the adipose tissue. Depending on their phenotype, macrophages can be designated either as pro‐inflammatory M1 macrophages or anti‐inflammatory M2 macrophages. We have therefore investigated the effects of taurine, a sulfated amino acid that is abundant in seafood, on obesity‐related inflammation.

Methods and results

In high‐fat diet fed C57BL/6J mice, taurine treatment reduced the infiltration of macrophages and promoted an M2‐like phenotype of macrophages in adipose tissues. In addition, taurine decreased the production of inflammatory cytokines, and suppressed the development of hyperglycemia in diet‐induced obese mice. Moreover, in vitro experiments that involved bone marrow derived macrophages indicated that taurine treatment induced alternative M2 macrophage activation, and its chloride, taurine chloramines, inhibited classical M1 macrophage activation.

Conclusion

Our findings indicate that taurine treatment attenuates the infiltration of adipose tissue by macrophages and modulates the phenotype of macrophages, which suggest that taurine is a valuable food constituent with a potential to attenuate chronic inflammation in adipose tissue and improve obesity‐related insulin resistance.
The single‐nucleotide polymorphism (GPX4c718t) in the glutathione peroxidase 4 gene influences endothelial cell function: Interaction with selenium and fatty acids
Authors: Crosley Lynne K. , Bashir Shabina , Nicol Fergus , Arthur John R. , Hesketh John E. , Sneddon Alan A.
Published: August 2013

Scope

Selenium (Se) is incorporated into selenoproteins as selenocysteine, which requires structures in the 3′‐untranslated region (3′‐UTR) of selenoprotein mRNAs. The functional consequences of a single nucleotide polymorphism (SNP) within the 3′‐UTR of the selenoprotein GPX4 gene (GPX4c718t) was assessed in human umbilical vein endothelial cells (HUVECs) and monocytes from human volunteers.

Methods and results

HUVEC and monocytes homozygous for the T‐ or C‐variant of the GPX4c718t SNP were assessed for monocyte–endothelial cell adhesion, expression of VCAM‐1 and sensitivity to oxidative challenge. Interaction of the SNP with Se and different PUFA and effects on selenoprotein expression were also investigated. HUVEC and monocytes homozygous for the T‐variant showed elevated adhesion levels compared to cells of the C‐variant. This effect was modified by Se and PUFA. HUVEC homozygous for the T‐variant showed elevated levels of VCAM‐1 protein in the presence of arachidonic acid, were more sensitive to oxidative challenge and showed Se‐dependant changes in lipid peroxide levels and expression of additional selenoproteins.

Conclusion

These findings demonstrate functional effects of the GPX4c718t SNP in endothelial cells and may suggest that individuals with the TT genotype have impaired endothelial function and are at greater risk of vascular disease compared to individuals with the CC genotype.
Dynamic crack propagation in elastoplastic thin‐walled structures: Modelling and validation
Authors: Mostofizadeh S. , Fagerström M. , Larsson R.
Published: August 2013

In this paper, a method to analyse and predict crack propagation in thin‐walled structures subjected to large plastic deformations when loaded at high strain rates—such as impact and/or blast—has been proposed. To represent the crack propagation independently of the finite element discretisation, an extended finite element method based shell formulation has been employed. More precisely, an underlying 7‐parameter shell model formulation with extensible directors has been extended by locally introducing an additional displacement field, representing the displacement discontinuity independently of the mesh. Of special concern in the paper has been to find a proper balance between, level of detail and accuracy when representing the physics of the problem and, on the other hand, computational efficiency and robustness. To promote computational efficiency, an explicit time step scheme has been employed, which however has been discovered to generate unphysical oscillations in the response upon crack propagation. Therefore, special focus has been placed to investigate these oscillations as well as to find proper remedies. The paper is concluded with three numerical examples to verify and validate the proposed model.Copyright © 2013 John Wiley & Sons, Ltd.
Early Human Decapitation, 11,700–10,700 cal bp, within the Pre‐Pottery Neolithic Village of Tell Qaramel, North Syria
Authors: Kanjou Y. , Kuijt I. , Erdal Y. S. , Kondo O.
Published: August 2013

The process and timing of skull removal remains poorly understood by researchers. New archaeological and skeletal analysis from two skeletons from the early Pre‐Pottery Neolithic site of Tell Qaramel, northern Syria, highlights that Neolithic villagers used stone tools to physically decapitate the dead. Drawing upon cutmarks on the axis and the mandible from primary and secondary burials, we employed a scanning electron microscope to document how Neolithic people cut the ligament and its surrounding connecting tissues that bind the cranium with the bones of the axis and the mandible. The position of the cutmarks, especially at the top of the odontoid process of the axis, illustrates the complexities of intentional skull removal. From these and associated burial data, we illustrate that Levantine Neolithic people had specific practical codes for the sequence of skull removal, but given variation in the decomposition of the human body, at times, villagers had to use flint tools for skull removal. This study provides evidence of some of the world's earliest examples of intentional decapitation within human communities. Copyright © 2013 John Wiley & Sons, Ltd.
Solid‐State‐Trapped Reactive Ammonium Carbamate Self‐Derivative Salts of Prolinamide
Authors: Tilborg Anaëlle , Lanners Steve , Norberg Bernadette , Wouters Johan
Published: August 2013

Single crystals for two polymorphs of the ammonium carbamate self‐derivative salt of prolinamide have been successfully obtained and characterized. Decarbonation of the carbamate salts was monitored by calorimetry, confirming stabilization of the reactive carbonated adducts in the solid state. Sublimation of the salts afforded crystals of prolinamide, leading to the first crystal structure of this otherwise common molecule. Reactivity of the ammonium carbamate self‐derivative salt is further illustrated by the observation of a series of derived products, including dehydroprolinamide, a methylene‐bridged prolinamide, and a bicyclic derivative. Crystal structures of these products display distinct amidic and/or non‐amidic hydrogen bonding. This study emphasizes the reactivity of carbonated amines stabilized in the solid and opens perspectives for a systematic study of (solid‐state) reactions involving these trapped reactive species.
Synthesis and properties of novel copolymers of poly(ether ketone diphenyl ketone ether ketone ketone) and poly(ether amide ether amide ether ketone ketone)
Authors: Huang Bin , Qian Jiangping , Wang Guixia , Cai Mingzhong
Published: August 2013

New monomers, 4,4′‐bis(4‐phenoxybenzoyl)diphenyl (BPOBDP) and N,N′‐bis(4‐phenoxybenzoyl)−4,4′‐diaminodiphenyl ether (BPBDAE), were conveniently synthesized via simple synthetic procedures from readily available materials. Novel copolymers of poly(ether ketone diphenyl ketone ether ketone ketone) (PEKDKEKK) and poly(ether amide ether amide ether ketone ketone) (PEAEAEKK) were synthesized by electrophilic Friedel‐Crafts solution copolycondensation of isophthaloyl chloride (IPC) with a mixture of BPOBDP and BPBDAE, over a wide range of BPOBDP/BPBDAE molar ratios, in the presence of anhydrous AlCl3 and N‐methylpyrrolidone (NMP) in 1,2‐dichloroethane (DCE). The copolymers obtained were characterized by different physico‐chemical techniques. The copolymers with 10–40 mol% BPBDAE are semicrystalline and had remarkably increased Tgs over commercially available PEEK and PEKK due to the incorporation of amide and diphenyl linkages in the main chains. The copolymers IV and V with 30–40 mol% BPBDAE had not only high Tgs of 185–188°C, but also moderate Tms of 326–330°C, having good potential for the melt processing. The copolymers IV and V had tensile strengths of 101.7–102.3 MPa, Young's moduli of 2.19–2.42 GPa, and elongations at break of 13.2–16.6% and exhibited high thermal stability and excellent resistance to organic solvents. POLYM. ENG. SCI., 54:1757–1764, 2014. © 2013 Society of Plastics Engineers
Structure and detonation performance of a novel HMX/LLM‐105 cocrystal explosive
Authors: Lin He , Zhu Shun‐Guan , Li Hong‐Zhen , Peng Xin‐Hua
Published: August 2013

Intermolecular interactions and properties of octahydro‐1,3,5,7‐tetranitro‐1,3,5,7‐ tetrazocine (HMX) / 2,6‐diamino‐3,5‐dinitropyrazine‐1‐oxide (LLM‐105) cocrystal were studied by using the dispersion‐corrected density functionals (ωB97XD, B97D) and meta‐hybrid functional (M062x) methods. Binding energies, heats of formation, thermodynamic properties, atoms in molecules, and natural bond orbital analysis were performed to investigate HMX/LLM‐105 complexes. Results show that the main intermolecular interactions between HMX and LLM‐105 are CH…O, NH…O, N…O, and O…O interactions. In addition, Monte Carlo simulation was employed to predict the crystal structure of HMX/LLM‐105 cocrystal. The HMX/LLM‐105 cocrystal is most likely to crystallize inC2/c space group, and its corresponding cell parameters are Z = 8, a = 41.63 Å, b = 6.77 Å, c = 45.63 Å, ß = 164.55°, and ρ = 1.99 g/cm3. Detonation velocity and pressure of HMX/LLM‐105 cocrystal are 8.95 km/s, 37.69GPa, a little lower than those of HMX (9.10 km/s, 37.76GPa). However, according to the net charges of nitro group, HMX/LLM‐105 cocrystal exhibits less sensitive than HMX. Finally, bond dissociation energy calculation shows that HMX/LLM‐105 complexes are thermally stable. Considering thermal stability, sensitivity, and detonation performance, HMX/LLM‐105 cocrystal meets the requirements of insensitive high energy density materials. Copyright © 2013 John Wiley & Sons, Ltd.
Pendant perylene polymers with high electron mobility
Authors: Lang Andreas S. , Muth Mathis‐Andreas , Heinrich Christian David , Carassco‐Orozco Miguel , Thelakkat Mukundan
Published: August 2013

Four different perylene side‐chain semiconductor polymers, synthesized by a combination of “click” chemistry and nitroxide‐mediated radical polymerization, are compared in terms of their optical, electrochemical, and charge transport properties. The nature of the solubilizing side chains and the chromophoric π‐conjugation system of the pendant perylene moieties are systematically changed. Two poly(perylene bisimide)s with hydrophobic (PPBI 1) and hydrophilic substituents (PPBI 2) are compared with poly(perylene diester benzimidazole) (PPDEB) and poly(perylene diester imide) (PPDEI). Optical properties are investigated by UV/vis and photoluminescence spectroscopy, and charge transport is studied by organic field effect transistor and space‐charge‐limited current measurements. Cyclic voltammetry is used to estimate highest occupied molecular orbital and lowest unoccupied molecular orbital levels. The extended π‐conjugation system of PPDEB leads to a broader absorption in the visible region when compared with PPDEI and the PPBIs. Although absorption properties of PPDEB could be considerably improved by varying the perylene core, the charge carrier mobility could be drastically improved by tuning the substituents. Very high electron mobilities of 1 × 10−2 cm2 V−1 s−1 were achieved for PPBI 2 carrying oligoethyleneglycol substituents. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2013, 51, 1480–1486
Crystal structures of α‐dioxygenase from Oryza sativa: Insights into substrate binding and activation by hydrogen peroxide
Authors: Zhu Guangyu , Koszelak‐Rosenblum Mary , Malkowski Michael G.
Published: August 2013

α‐Dioxygenases (α‐DOX) are heme‐containing enzymes found predominantly in plants and fungi, where they generate oxylipins in response to pathogen attack. α‐DOX oxygenate a variety of 14–20 carbon fatty acids containing up to three unsaturated bonds through stereoselective removal of the pro‐R hydrogen from the α‐carbon by a tyrosyl radical generated via the oxidation of the heme moiety by hydrogen peroxide (H2O2). We determined the X‐ray crystal structures of wild type α‐DOX from Oryza sativa, the wild type enzyme in complex with H2O2, and the catalytically inactive Y379F mutant in complex with the fatty acid palmitic acid (PA). PA binds within the active site cleft of α‐DOX such that the carboxylate forms ionic interactions with His‐311 and Arg‐559. Thr‐316 aids in the positioning of carbon‐2 for hydrogen abstraction. Twenty‐five of the twenty eight contacts made between PA and residues lining the active site occur within the carboxylate and first eight carbons, indicating that interactions within this region of the substrate are responsible for governing selectivity. Comparison of the wild type and H2O2 structures provides insight into enzyme activation. The binding of H2O2 at the distal face of the heme displaces residues His‐157, Asp‐158, and Trp‐159 ∼2.5 Å from their positions in the wild type structure. As a result, the Oδ2 atom of Asp‐158 interacts with the Ca atom in the calcium binding loop, the side chains of Trp‐159 and Trp‐213 reorient, and the guanidinium group of Arg‐559 is repositioned near Tyr‐379, poised to interact with the carboxylate group of the substrate.
Reassessing buried surface areas in protein–protein complexes
Authors: Chakravarty Devlina , Guharoy Mainak , Robert Charles H. , Chakrabarti Pinak , Janin Joël
Published: August 2013

The buried surface area (BSA), which measures the size of the interface in a protein–protein complex may differ from the accessible surface area (ASA) lost upon association (which we call DSA), if conformation changes take place. To evaluate the DSA, we measure the ASA of the interface atoms in the bound and unbound states of the components of 144 protein–protein complexes taken from the Protein–Protein Interaction Affinity Database of Kastritis et al. (2011). We observe differences exceeding 20%, and a systematic bias in the distribution. On average, the ASA calculated in the bound state of the components is 3.3% greater than in their unbound state, and the BSA, 7% greater than the DSA. The bias is observed even in complexes where the conformation changes are small. An examination of the bound and unbound structures points to a possible origin: local movements optimize contacts with the other component at the cost of internal contacts, and presumably also the binding free energy.
Nematicidal metabolites from roots of Stellera chamaejasme against Bursaphelenchus xylophilus and Bursaphelenchus mucronatus
Authors: Cui Haiyan , Jin Hui , Liu Quan , Yan Zhiqiang , Ding Lan , Qin Bo
Published: August 2013

BACKGROUND

Bursaphelenchus xylophilus, the causal agent of pine wilt disease, severely damages pine forests, and Bursaphelenchus mucronatus, a species related to B. xylophilus, is weakly pathogenic. Because the use of synthetic pesticides to control pine wilt disease has raised concerns for human and environmental health, a search for useful botanically based compounds is needed.

RESULTS

The ethyl acetate layer from an ethanol extract of Stellera chamaejasme L. roots showed significant nematicidal activity against B. xylophilus and B. mucronatus, with LC50 values of 169.7 and 37.7 µg mL−1, respectively, at 72 h. Further purification of the active layer yielded eight effective nematicidal compounds, which were identified by mass and nuclear magnetic resonance spectral data. Among the eight bioactive compounds, chamaejasmenin C induced the highest mortality against B. xylophilus, with an LC50 value of 2.7 µM at 72 h, and chamaechromone exhibited strong nematicidal activity against B. mucronatus, with an LC50 value of 0.003 µM at 72 h.

CONCLUSION

The nematicidal metabolites from S. chamaejasme roots could be used as lead compounds for developing botanically based nematicides for the management of pine wilt disease. © 2013 Society of Chemical Industry
Modeling charge transport in DNA using multi‐scale methods
Authors: Kubař Tomáš , Gutiérrez Rafael , Kleinekathöfer Ulrich , Cuniberti Gianaurelio , Elstner Marcus
Published: August 2013

Despite great efforts in the experimental and theoretical investigation of charge migration in DNA oligomers, no unified explanation of the microscopic mechanisms governing charge transfer/transport has been achieved up to date. The complexity of this bio‐molecule as well as the variety of factors that influence charge transfer/transport (solvent, base dynamics, nucleobase sequence, metal‐molecule contact) make the available experimental data difficult to analyze unambiguously. Thus, theory and computation play a prominent role by guiding experimental studies and providing them with well‐defined predictions concerning the role of all these factors. A fundamental problem in such systems is the strong coupling of electronic and structural degrees of freedom, which makes a treatment based on standard perturbation theory unfeasible in general. This review focuses on various methodological approaches to which the authors have strongly contributed. The advantage of these approaches relies on an efficient combination of accurate electronic structure calculations, classical molecular dynamics, and charge transport approaches, to describe charge migration in complex (bio)molecular systems.
High‐resolution scanning tunneling and atomic force microscopy of stereochemically resolved dibenzo[a,h]thianthrene molecules
Authors: Pavliček Niko , Herranz‐Lancho Coral , Fleury Benoit , Neu Mathias , Niedenführ Judith , Ruben Mario , Repp Jascha
Published: August 2013

Recently, we reported on the bistable configurational switching of dibenzo[a,h]thianthrene (DBTH) molecules adsorbed on NaCl using combined low‐temperature scanning tunneling and atomic force microscopy (STM/AFM). Here, we discuss the intra‐molecular contrast in AFM images of the molecules as a function of the tip–molecule distance. Our experiments show that ridges in the frequency shift do not necessarily correlate with chemical bonds in this case of a non‐planar molecule. To explain this finding we compare images acquired at different tip–molecule distances to the calculated electron density of the molecules obtained from density functional theory calculations (DFT). In addition, we analyze the probability of finding different configurations after adsorption onto the surface.

DBTH molecules in two configurations probed by a CO‐functionalized tip. Insets show AFM (left) and STM (right) images of a U molecule.
The morphology and optical properties of ZnO crystals fabricated by hydrothermal method under pulsed magnetic field
Authors: Li Ying , Bo Weiqiang , Zhong Min , Hu Yemin , Zhu Mingyuan , Zhang Haimin , Li Yibing , Zhao Huijun
Published: August 2013

In this study, ZnO crystals have been synthesized via hydrothermal method by adjusting the component of the precursor with the pulsed magnetic field. The effects of the molar ratio of the reactants and pulsed magnetic field applied in the synthesis process on the microstructure and optical properties of ZnO crystals were investigated systematically. The samples were characterized by X‐ray diffraction, scanning electron microscopy, UV‐Vis spectrophotometer and micro‐Raman scattering. The results demonstrate that pulsed magnetic field increases the defects concentration and reduces the band gap of ZnO. And it also promotes nucleation and crystal growth, the crystals obtained under pulsed magnetic field are more uniform and complete. The change of molar ratios influences the pH value so that the environment for the growth of ZnO crystals changed dramatically. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Ohmic contact on single ZnO nanowires grown by MOCVD
Authors: Geng Wei , Kostcheev Sergei , Sartel Corinne , Sallet Vincent , Molinari Michael , Simonetti Olivier , Lérondel Gilles , Giraudet Louis , Couteau Christophe
Published: August 2013

We present work on the fabrication and the characterization of ohmic contacts on single zinc oxide nanowires grown by metalorganic chemical vapour deposition. We demonstrate pre‐positionning of single nanowires before electronic‐beam lithography for 2 point metallic contacts. We characterize single nanowires by microphotoluminescence and by current‐voltage measurements. I–V results present a linear curve down to 1 mV with resistivities from 0.23 to 2.4 Ω ċ cm are measured, consistent with previous observation on ZnO nanowires. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
On the growth of Zn1–xMnxO thin films by plasma‐assisted MBE
Authors: Deparis Christiane , Morhain Christian , Zúñiga‐Pérez Jesus , Chauveau Jean‐Michel , Kim‐Chauveau Hyonju , Vennéguès Philippe , Teisseire Monique , Vinter Borge
Published: August 2013

The growth of ZnxMn1–xO thin films by plasma‐assisted MBE has been investigated. Mn incorporation results in drastic changes in the surface morphology, the distribution of the atoms at the surface and the epilayer growth rates, which have not been reported so far and have not been observed in any other ZnO‐based alloy. These marked changes are readily observable in diluted alloys with Mn content below 1%. It is shown that Mn acts as a catalyst for oxygen incorporation into ZnO. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Simultaneous generation of violet, blue, and green lasers using Nd:YAl3(BO3)4 channel waveguides under pumping at 815 nm
Authors: Tan Yang , Luan Qing‐Fang , Chen Feng , Jaque Daniel , Rodríguez Vázquez de Aldana Javier
Published: August 2013

Violet, blue, and green lasers were simultaneously generated by nonlinear processes using ultrafast laser inscribed neodymium‐doped yttrium aluminum borate (Nd:YAl3(BO3)4 or Nd:YAB) channel waveguides under pumping at 815 nm. These visible lasers were generated by the frequency doubling, self‐frequency summing, and self‐frequency doubling processes based on a 1062 nm laser radiation that corresponded to the 4F3/2 → 4I11/2 transition of Nd3+ ions. Further, the wavelength tunability for the violet and blue lasers was achieved by simply tuning the pump wavelength within the 4I9/2 → 4F5/2 transition. The results obtained indicate that Nd:YAB waveguides are promising candidates for efficient compact visible laser sources. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Preparation of ZnO nanorods on cellulose fiber paper and their charge‐generating application for waste paper recycling
Authors: Ko Yeong Hwan , Yu Jae Su
Published: August 2013

Zinc oxide (ZnO) nanorod arrays (NRAs) were well integrated on the cellulose fibers (CFs) of waste paper via a facile hydrothermal method. By mechanically blending the waste paper with de‐ionized water, abundant CFs were obtained and used as a sufficient platform for integrating ZnO NRAs. After coating a thin ZnO seed layer onto the surface of CFs and subsequent thermal treatment, the ZnO NRAs were densely grown, exhibiting high crystallinity and good photoluminescence properties. Their sizes were readily controlled by changing the concentration of the growth solution. To test the feasibility of an energy harvesting application using the prepared samples, the piezoelectric charge generation was explored under an external pushing force for the fabricated devices with polydimethylsiloxane‐shielded ZnO NRAs on CFs for good contact to two electrodes (i.e., gold and indium tin oxide). This nanotechnology of recycling waste paper could be considered as a promising candidate for implementation in cost‐effective and environment‐friendly advanced materials and energy production. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
An iterative ensemble Kalman smoother
Authors: Bocquet M. , Sakov P.
Published: August 2013

The iterative ensemble Kalman filter (IEnKF) was recently proposed in order to improve the performance of ensemble Kalman filtering with strongly nonlinear geophysical models. The IEnKF can be used as a lag‐one smoother and extended to a fixed‐lag smoother: the iterative ensemble Kalman smoother (IEnKS). The IEnKS is an ensemble variational method. It does not require the use of the tangent linear of the evolution and observation models, nor the adjoint of these models: the required sensitivities (gradient and Hessian) are obtained from the ensemble. Looking for optimal performance, out of the many possible extensions we consider a quasi‐static algorithm. The IEnKS is explored for the Lorenz '95 model and for a two‐dimensional turbulence model. As the logical extension of the IEnKF, the IEnKS significantly outperforms standard Kalman filters and smoothers in strongly nonlinear regimes. In mildly nonlinear regimes (typically synoptic‐scale meteorology), its filtering performance is marginally but clearly better than the standard ensemble Kalman filter and it keeps improving as the length of the temporal data assimilation window is increased. For long windows, its smoothing performance outranks the standard smoothers very significantly, a result that is believed to stem from the variational but flow‐dependent nature of the algorithm. For very long windows, the use of a multiple data assimilation variant of the scheme, where observations are assimilated several times, is advocated. This paves the way for finer reanalysis, freed from the static prior assumption of 4D‐Var but also partially freed from the Gaussian assumptions that usually impede standard ensemble Kalman filtering and smoothing.
Effects of Cold Deformation and Aging Process on Precipitation Behavior and Mechanical Properties of Fe–18Cr–18Mn–0.63N High‐Nitrogen Austenitic Stainless Steel
Authors: Feng Shi , XiaoWu Li , Yang Qi , ChunMing Liu
Published: August 2013

Effects of different treatments (solid solution + cold deformation + aging condition) on the microstructure of Fe–18Cr–18Mn–0.63N high‐nitrogen austenitic stainless steel and consequently on its mechanical properties were investigated by microscopic observations and mechanical characterizations. For un‐cold‐deformed and 20% cold‐deformed steels, the results show that, all precipitates are Cr2N phase and the granular precipitates transform into cellular precipitates with increasing aging time. However, in 50% cold‐deformed steel only the granular and massive Cr2N precipitates. On the other hand, no cellular Cr2N precipitates are observed, but the precipitation of σ phase is induced. In un‐cold‐deformed steel, all tensile properties including the ultimate tensile strength, yield strength, and the elongation decrease with increasing aging time, resulting from the precipitation of the second phase. In the cold‐deformed steels, the tensile and yield strengths decrease while the elongations firstly increase and then decrease with aging time. Actually, in the cold‐deformed steels, the strain recovery or recrystallization mainly causes the decreases in tensile and yield strength in addition to increase in elongation after aged for 1 h. In contrast, the cellular Cr2N precipitation or granular precipitation mainly results in the continually slow decreases in tensile and yield strengths and the relevant decrease in elongation with aging.
Effectiveness of bait tubes for brown treesnake control on guam
Authors: Lardner Björn , Yackel Adams Amy A. , Savidge Julie A. , Rodda Gordon H. , Reed Robert N. , Clark Craig S.
Published: August 2013

In 2008, we studied simulated toxicant efficacy to control invasive brown treesnakes (Boiga irregularis) using bait tubes (elongate bait stations that reduce non‐target bait take) in a 5‐ha enclosure in Guam (U.S. Territory) with a known population of snakes. Instead of toxicants, we implanted radiotransmitters in small (6.6 ± 1.4 g) and large (21.8 ± 2.9 g) bait‐mouse carcasses, offered from 2 types of bait tubes over a 3‐month period. The known snake population allowed us to characterize not only the snakes taking bait, but also those evading our mock control effort. Tube design had no effect on take rate, but snout–vent length was a strong predictor of bait take: none of the 30 snakes <843 mm in length took any bait, whereas 77 of the 126 snakes ≥843 mm in length took 164 baits. While medium‐sized snakes preferentially ingested small bait (and the largest snakes tended to take large mice more frequently), some of the smallest snakes that took bait ingested large mice. Snake body condition was positively correlated to take rate, but snake sex had no discernible effect. Our data show that there is a relatively narrow size (and, thus, time) gap between the size at which the snakes become susceptible to bait‐mouse take and the size at which they become sexually mature. This has implications for the timing of repeated baiting efforts, if the goal is eradication rather than suppression. Published 2013. This article is a U.S. Government work and is in the public domain in the USA.
Effects of plant invasions on wildlife in desert grasslands
Authors: Steidl Robert J. , Litt Andrea R. , Matter William J.
Published: August 2013

Like all grasslands across North America, the distribution of desert grasslands has been reduced markedly, and remnants have been altered extensively by humans. In Arizona, New Mexico, Texas, USA, and in Mexico, desert grasslands have been invaded by dozens of non‐native plants, especially perennial grasses that evolved in arid systems with similar climate and disturbance regimes. In desert grasslands invaded by non‐native plants, biomass, richness, and diversity of native plants typically decrease, whereas plant density, biomass, and litter typically increase. These changes in composition and structure of the plant community affect animals that inhabit grassland ecosystems, with the direction and magnitude of effects reflecting the resource needs of each species, the degree of plant invasion, and the contrast in structure between invading and native plants. When non‐native plants present similar structural cues but provide different levels of resources than native plants, cues that trigger habitat selection by animals may be decoupled from the resources linked evolutionarily to that cue, creating the potential for an ecological trap. Plant invasions also influence the ecological drivers that maintain grasslands in an open condition, which will alter the long‐term dynamics of plant and animal populations. Specifically, by increasing fuel load and continuity, fires in invaded grasslands increase in frequency and intensity relative to those in native grasslands. Although eradication is unlikely once a non‐native plant has naturalized, retaining patches of native vegetation within a matrix of non‐native plants may provide a strategy to reduce effects of plant invasions on wildlife in grasslands. © 2013 The Wildlife Society.
The development of dasatinib as a treatment for chronic myeloid leukemia (CML): from initial studies to application in newly diagnosed patients
Authors: Hochhaus Andreas , Kantarjian Hagop
Published: August 2013

Purpose

Dasatinib is a dual Abl/Src tyrosine kinase inhibitor (TKI) designed as a prototypic short-acting BCR–ABL-targeted TKI that inhibits BCR–ABL with greater potency compared with imatinib, nilotinib, bosutinib, and ponatinib and has been shown to have potential immunomodulatory effects. Dasatinib is approved for the treatment of all phases of chronic myeloid leukemia (CML) and Philadelphia chromosome-positive acute lymphoblastic leukemia resistant or intolerant to prior imatinib treatment and first-line treatment for CML in chronic phase. In this article, the development of dasatinib as a treatment for patients with CML is reviewed.

Methods

This is a review of the relevant literature regarding dasatinib development in CML (2003–2013).

Results

Dasatinib demonstrates efficacy against most BCR–ABL mutations arising during imatinib therapy and is effective in treating patients with imatinib resistance due to other mechanisms. Randomized trial data show that first-line dasatinib provides superior responses compared with imatinib and enables patients to achieve early, deep responses correlated with improved longer-term outcomes. Dasatinib has a generally acceptable safety profile, with most adverse events (AEs) proving manageable and reversible. Cytopenias are commonly observed with dasatinib, and some nonhematologic AEs including pleural effusion have been consistently reported.

Conclusion

Dasatinib is an effective treatment option for patients with CML.
Highly Cross-Linked Polyethylene May Not Have an Advantage in Total Knee Arthroplasty
Authors: Sakellariou Vasileios I. , Sculco Peter , Poultsides Lazaros , Wright Timothy , Sculco Thomas P.
Published: August 2013

Background

Long-term results after total knee replacement (TKR) with conventional and compression-molded polyethylene (PE) have been excellent. The introduction of highly cross-linked polyethylene (XLPE), which has demonstrated superior wear properties in total hip replacement (THR), has led to its recent use in TKR. However, the knee has a unique biomechanical environment characterized by large contact stresses and shear forces and differs from the highly conforming articulation (and primarily abrasive and adhesive wear) found in THR. For this reason, XLPE, with its decreased fatigue resistance and toughness compared to PE, may not be the best material to withstand these unique forces.

Questions

This review and evaluation of the literature aims to answer the following questions. What are the advantages and disadvantages of XLPE in TKR? Does its success in THR ensure a favorable outcome in TKR? Does the increased cost of XLPE justify its use in TKR?

Methods

A systematic literature review of MEDLINE, Science Direct, and Google Scholar databases was performed searching for advantages and disadvantages of XLPE in TKR. We found 18 biomechanical in vitro investigations and 3 clinical studies comparing conventional and XLPEs. We included levels I through IV published articles in peer-reviewed journals in English language.

Results

Several in vitro studies found XLPE to have significantly better wear properties compared to conventional PE. However, the two clinical investigations that directly compared conventional PE and XLPE found no difference in clinical or radiographic outcomes. Additionally, clinical studies with long-term follow-up on TKR with conventional PE did not find wear-induced osteolysis to be a major cause of failure. Four studies did find cost to be significantly higher for XLPE compared to conventional PE.

Conclusions

Based on our review, we concluded that (1) the material properties of XLPE reduce adhesive and abrasive wear, but not the risk of crack propagation, deformation, pitting, and delamination found in TKR; (2) wear-induced osteolysis in TKR has not been found to be a major cause of failure at long-term follow-up; (3) mid-term follow-up studies show no difference in any recorded outcome measure between conventional PE and XLPE; and (4) XLPE is two to four times the cost of conventional PE without an improvement in clinical or radiographic outcomes. For these reasons, we currently cannot recommend the use of XLPE in TKR. Conventional compression-molded polyethylene with its outstanding long-term results should remain the material of choice in TKR.
Extrinsic relative to intrinsic goal pursuits and peer dynamics: Selection and influence processes among adolescents
Authors: Duriez Bart , Giletta Matteo , Kuppens Peter , Vansteenkiste Maarten
Published: August 2013

Self‐Determination Theory discerns goals and values in terms of whether they are intrinsic or extrinsic in nature. Although research substantiates the importance of goal preferences for a host of outcomes, few studies examined how such preferences develop, and studies that did pay attention to this focused on parental influence processes. The present study focuses on the role of peers. Social network analyses on longitudinal data gathered among senior high‐school students (N = 695) confirm that peer similarity in goal pursuit exists, and that, although this similarity partly originates from adolescents selecting friends on the basis of perceived goal pursuit similarity, it also results from peers actively influencing each other. Hence, friends tend to become more alike in terms of goal pursuit over time. Data also suggest that, although changes in goal pursuit at this age can be predicted from peer dynamics, they cannot be attributed to parental goal promotion efforts.
Factors related with the ability to maintain wakefulness in the daytime after fast and forward rotating shifts
Authors: Chang Yu‐San , Wu Yu‐Hsuan , Su Shu‐Fang , Hsu Chung‐Yao , Chen Hsiang‐Lan
Published: August 2013

The aim of this study was to explore changes in cognitive function, sleep propensity, and sleep‐related hormones (growth hormone, cortisol, prolactin, and thyrotropin) and to investigate the factors related to the ability to maintain wakefulness in the daytime after one block of fast forward rotating shift work (2 days, 2 evenings, and 2 nights). Twenty female nurses (mean age: 26.0 ± 2.0 years; range: 22–30 years) were recruited from an acute psychiatric ward. The nurses completed the Maintenance of Wakefulness Test (MWT), State Anxiety Inventory (SAI), Stanford Sleepiness Scale (SSS), Digit Symbol Substitution Test, Symbol Searching Test, Taiwan University Attention Test, Wisconsin Card Sorting Test (WCST), and Multiple Sleep Latency Test (MSLT) four times throughout the day at 2‐hour intervals, and their hormone levels were measured at the same time. There was no time of day effect on sleep propensity as measured by the MWT or MSLT despite an increase in self‐reported sleepiness. Anxiety state and neuropsychological tasks, including executive function, attention, and perceptual and motor abilities were not affected during the daytime sleep restriction period. The number of omissions and perceptual and motor abilities showed a practice effect. The thyrotropin levels were significantly elevated, and cortisol levels significantly decreased during the daytime sleep restriction period. There were no significant changes in growth hormone or prolactin throughout the daytime period. Age was negatively associated with the mean sleep latency (MSL) of the MWT and positively associated with the MSL of the MSLT. The perseverative errors in WCST and SSS scores were negatively associated with the MSL of the MWT. SAI scores and thyrotropin levels were positively associated with the MSL of the MWT. In conclusion, there was no change in sleep propensity in the daytime after one block of rotating shift work. An attempt to preserve daytime alertness was also related to maintaining neuropsychological performance. Maintaining this ability was related to thyrotropin and age, and this cognition required a high attentive load.
Gesundes Sterben
Authors: Schnabel Peter-Ernst
Published: August 2013

Einleitung

So wie wir im Lauf der Zeit immer mehr Verantwortung über unser Leben abgegeben haben, haben wir es anderen (insbes. den Religionen und ihren Priestern, der Medizin, den Wissenschaften und Gesundheitssystemen) erlaubt, sich die Definitionsmacht darüber anzueignen, was uns der Tod bedeutet und was mit uns geschieht, wenn wir ihn erleiden. Auch haben wir nichts getan, um sie daran zu hindern, uns das natürliche Recht auf Selbstbestimmung über die Art unseres Sterbens aus der Hand zu nehmen. Es wird danach gefragt, was uns durch diese Akte der Enteignung verloren geht, wer von ihnen profitiert und überlegt, was getan werden könnte, um durch Wiederaneignung der Verantwortung nicht nur das Sterben, sondern auch das Leben humaner und gesünder zu machen.