bluuebunny/crossref_metadata_2025 huggingface dataset:
Linear Fluid Theory for Weakly Inhomogeneous Plasmas with Strong Correlations
Authors: Kählert H. , Kalman G. J. , Bonitz M.
Published: April 2015

Linearized fluid equations for the collective modes of weakly inhomogeneous plasmas including strong coupling effects are derived from a recent kinetic theory based on an extended Singwi‐Tosi‐Land‐Sjölander (STLS) ansatz [H. Kählert, G. J. Kalman, and M. Bonitz, Phys. Rev. E 90, 011101(R) (2014)]. The equations are analogous to the equations of linearized elasticity theory with space dependent elastic moduli that correspond to those of a bulk system with the local fluid density. The identification of the latter as infinite‐frequency elastic moduli shows that the present version of the extended STLS theory accounts for the elastic properties of the fluid but does not capture the viscous behavior. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Molecular Dynamics Simulations of Warm Dense Carbon
Authors: Whitley H. D. , Sanchez D. M. , Hamel S. , Correa A. A. , Benedict L. X.
Published: April 2015

We present classical and DFT‐based molecular dynamics (MD) simulations of carbon in the warm dense matter regime (ϱ = 3.7 g/cc, 0.86 eV < T < 8.62 eV [T < 100 eV for classical MD]). Two different classical interatomic potentials are used: 1. LCBOP, designed to simulate condensed (e.g. solid) phases of C, and 2. linearly screened Coulomb (Yukawa) potentials. It is shown that LCBOP over‐predicts minima and maxima in the pair correlation functions of liquid‐C in this regime when compared to the DFT‐MD results. The screened Coulomb model, while under‐correlating at low‐T, seems to produce the correct qualitative features in the static ionic pair distributions at the highest‐T. However, both approaches predict the decay in the ionic contribution of the specific heat as T → ∞ to be much slower than that predicted by a model based on DFT‐MD. These differences in the MD‐derived equations of state in warm dense regimes could have important consequences when using classical inter‐ionic forces such as these in large‐scale MD simulations aimed at studying, for instance, processes of relevance to inertial confinement fusion when C is used as an ablator material. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Identification and characterization of an imidazolium by‐product formed during the synthesis of 4‐methylmethcathinone (mephedrone)
Authors: Power John D. , Kavanagh Pierce , McLaughlin Gavin , O'Brien John , Talbot Brian , Barry Michael , Twamley Brendan , Dowling Geraldine , Brandt Simon D.
Published: April 2015

4‐Methylmethcathinone (2‐methylamino‐1‐(4‐methylphenyl)propan‐1‐one, mephedrone) is a psychoactive substance that has been associated with recreational use worldwide. Analytical data related to mephedrone are abundantly available but the characterization of by‐products obtained during organic synthesis remains to be explored. This study presents the identification of a 1,2,3,5‐tetramethyl‐4‐(4‐methylphenyl)‐1H‐imidazol‐3‐ium salt (TMMPI), which was formed during the synthesis of mephedrone. When diethyl ether was added to the crude reaction product, solid material precipitated from the solution. Analytical characterization of TMMPI employed a range of analytical techniques including chromatographic analysis in combination with various mass spectrometric detection methods, nuclear magnetic resonance spectroscopy, and crystal structure analysis. Additional confirmation was obtained from organic synthesis of the imidazolium by‐product. When TMMPI was subjected to analysis by gas chromatography–mass spectrometry (GC‐MS), isomerization and degradation into two distinct compounds were observed, which pointed towards thermal instability under GC conditions. A liquid chromatography‐mass spectrometry (LC‐MS) based investigation into a micro‐scale synthesis of mephedrone and three additional analogues revealed that the corresponding TMMPI analogue was formed. Interestingly, storage of mephedrone freebase in a number of organic solvents also gave rise to TMMPI and it appeared that its formation during storage was significantly reduced in the absence of air. The present study aimed to support clandestine forensic investigations by employing analytical strategies that are applicable to manufacturing sites. The imidazolium salts will most likely be found amongst the waste products of any clandestine lab site under investigation rather than with the desired product. Copyright © 2015 John Wiley & Sons, Ltd.
Effect of Carrier Frequency and Circuit Resistance on Iron Loss of Non‐Oriented Electrical Steel Sheet under Single‐Phase Full‐Bridge PWM Inverter Excitation
Authors: Kaihara Hiroki , Takahashi Norio , Nakano Masanori , Kawabe Morio , Nomiyama Takuma , Shiozaki Akira , Miyagi Daisuke
Published: April 2015

Because of the development of power electronics technology, pulse width modulation (PWM) inverters are now being used to drive motors in order to achieve precise and energy‐efficient control. Precise estimation of the increase in iron loss due to the high harmonic components of flux, including the carrier frequency, is important in the design of motors excited by a PWM inverter. We measured the iron losses of non‐oriented electrical steel sheets that were excited using a single‐phase full‐bridge PWM inverter, and examined the influence of the carrier frequency and circuit resistance on the iron loss. We showed that the iron loss increased because of the generation of minor loops when the circuit resistance was high. Therefore, the circuit resistance should be decreased in an actual motor system.
Catalytic Models of Tyrosinase: Reactivity Differences between Systems Based on Mono‐ and Binucleating Ligands
Authors: Schottenheim Julia , Gernert Claus , Herzigkeit Benjamin , Krahmer Jan , Tuczek Felix
Published: April 2015

A new tyrosinase model based on the binucleating ligand Lpy2 is synthesized and characterized. The ligand Lpy2 contains a combination of an imine and a pyridine function in the sidearms, which are bridged by a flexible alkyl spacer. As shown by UV/Vis and NMR spectroscopy, the Cu2Lpy2 complex catalyzed the conversion of the monophenol 2,4‐di‐tert‐butylphenol (DTBP‐H) into the o‐quinone 3,5‐di‐tert‐butylquinone (DTBQ) with a turnover number (TON) of 18. The dicopper complex of Lpy2 thus shows monophenolase activity that is comparable to that of the recently developed Lpy1 model of tyrosinase, which is based on a known mononucleating ligand (M. Rolff, J. Schottenheim, G. Peters, F. Tuczek, Angew. Chem. Int. Ed. 2010, 122, 6583). The electron‐poor substrate 4‐hydroxybenzoic acid methyl ester (MeBA‐OH), in contrast, is converted by Cu2Lpy2 into the semiquinone. For both substrates, the oxygenation reactions were also conducted in a stoichiometric fashion to obtain information on the intermediates involved. For the substrate MeBA‐OH, we detected a binuclear μ‐catecholato copper(II) complex by high‐resolution ESI mass spectrometry. These studies were complemented by investigations of deactivation mechanisms that could be invoked to explain the limitation of the TON. To this end, a bis‐μ‐hydroxido Lpy2 dicopper(II) complex as well as a semiquinone Lpy2 complex were prepared. Both complexes may represent decay products of the catalyst.
Phosphaindazole: A Phosphorus–Carbon Aromatic Heterocycle
Authors: Jevtovikj Ivana , Sárosi Menyhárt B. , Adhikari Anup K. , Lönnecke Peter , Hey‐Hawkins Evamarie
Published: April 2015

A straightforward synthetic route to a novel phosphorus–carbon heterocycle, namely, phosphaindazole, which is the phosphorus analogue of indazole or indene, was developed from sodium tetraphosphanediide [Na2(P4Mes4)](Mes = 2,4,6‐Me3C6H2) and nBuLi. A proposed intermediate in this reaction, the dimesityldiphosphanide dianion, could be isolated and structurally characterized as [Na8(thf)8(P2Mes2)4]·2THF.
Palladium‐Catalyzed Nucleophilic Substitution of Propargylic Carbonates and Meldrum's Acid Derivatives
Authors: Ambrogio Ilaria , Cacchi Sandro , Fabrizi Giancarlo , Goggiamani Antonella , Iazzetti Antonia
Published: April 2015

The palladium‐catalyzed reaction of propargylic carbonates with Meldrum's acid derivatives proceeds smoothly in the presence of Pd(OAc)2 and P(2‐furyl)3 in THF at 80 °C to give substitution products. The substitution products can be useful intermediates for the stereoselective synthesis of functionalized (Z)‐γ‐alkylidene‐γ‐butyrolactones.
Combining Alkaline Extraction and in Situ Plated Bismuth Film for Reliable Quantification of Zn in Multivitamin Formulations
Authors: Fonseca Wilson T. , Takeuchi Regina M. , Santos André L.
Published: April 2015

In this work a bismuth film electrode (BiFE) plated in situ onto glassy carbon was used to quantify Zn2+ in multivitamin formulation samples by square wave anodic stripping voltammetry. For partially water‐soluble multivitamin tablets, an alkaline extraction with 1.0 mol L−1 NaOH aqueous solution was adopted. This procedure was simple, fast and efficient to extracting Zn from sample matrix. Moreover, this procedure was able to make the method less susceptible to interferences from Cu2+, since it remains at extracting vessel as insoluble Cu(OH)2. For fully water‐soluble effervescent tablets, sample pretreatment was not required.
Bayesian benchmark dose analysis
Authors: Fang Q. , Piegorsch W. W. , Barnes K. Y.
Published: April 2015

An important objective in environmental risk assessment is the estimation of minimum exposure levels called benchmark doses (BMDs), which induce a pre‐specified benchmark response in a target population. Established inferential approaches for BMD analysis typically involve one‐sided, frequentist confidence limits, leading in practice to what are called benchmark dose lower Limits (BMDLs). Appeal to Bayesian modeling and credible limits for building BMDLs is far less developed, however. Indeed, for the few existing forms of Bayesian BMDs, informative prior information is seldom incorporated. We develop reparameterized quantal‐response models that explicitly describe the BMD as a target parameter. Our goal is to obtain an improved estimation and calculation archetype for the BMD and for the BMDL by quantifying prior beliefs representing parameter uncertainty in the statistical model. Implementation is facilitated via a Monte Carlo‐based adaptive Metropolis algorithm to approximate the posterior distribution. An example from environmental carcinogenicity testing illustrates the methodology. Copyright © 2015 John Wiley & Sons, Ltd.
Seismic design and experiment of single and coupled corner gusset connections in a full‐scale two‐story buckling‐restrained braced frame
Authors: Lin Pao‐Chun , Tsai Keh‐Chyuan , Wu An‐Chien , Chuang Ming‐Chieh , Li Chao‐Hsien , Wang Kung‐Juin
Published: April 2015

A gusset plate is subjected to forces induced from a buckling‐restrained brace (BRB) and frame action. In this study, a performance‐based design method of the gusset connections incorporating a BRB and frame actions is investigated. The force demands resulting from the BRB axial force are computed from the generalized uniform force method. The force demands induced from the frame action effects primarily result from beam shear. A conservative method, which considers the beam axial force effect and the thereafter reduced beam flexural capacity possibly developed at the gusset tips, is adopted in estimating the maximum beam shear. An improved equivalent strut model is used to represent the gusset plate subjected to the frame action effect. The total force demands of the gusset connection are combined from the BRB force and the frame actions. For design purposes, the stress distributions on the gusset interfaces are linearized. The maximum von Mises stress combining the normal and shear stresses is considered as the demand for the gusset plate design. In order to verify the effectiveness of the proposed design method, experiments on a two‐story full‐scale buckling‐restrained braced frame (BRBF) were performed. The chevron and single diagonal brace configurations were arranged in the second and the first stories, respectively. Two different corner gusset connection configurations including one single corner gusset and one coupled corner gusset connection, where two braces in adjacent stories joined at the same beam‐to‐column joint, were tested. The BRBF specimen was subjected to cyclically increasing lateral displacements with a maximum frame drift of 0.04 rad. The maximum story drifts reached 0.035 and 0.061 rad. in the first and the second stories, respectively. At the end of the tests, no fractures were observed on any of the gusset interfaces. Along the gusset interfaces, the normal and shear stress distributions computed from the proposed design procedures and the FEM analysis correlated well with the experimental results. This paper concludes with the procedure and recommendations for the performance‐based design of gusset connections. Copyright © 2015 John Wiley & Sons, Ltd.
Preparation and characteristics of nanocapsules containing essential oil for textile application
Authors: Liu Cong , Liang Baijun , Shi Guang , Li Zhicheng , Zheng Xubin , Huang Yang , Lin Li
Published: April 2015

Methyl methacrylate (MMA)–styrene (St) copolymer nanocapsules containing cologne essential oil for fragrant fabrics treatment were prepared by miniemulsion polymerization. The morphology, chemical composition and thermal properties were characterized by scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT‐IR) and thermal gravimetric analysis (TGA). The nanocapsules had relatively small size (ca. 136 nm of mean particle diameter), regular sphericity and uniform particle size distribution. The encapsulation efficiency and loading capacity of the nanocapsules were 85.4% and 42.7%, respectively. The nanocapsules had good thermostability. The release experiments showed that 6.8% cologne essential oil still existed after being washed 15 times in the fabrics treated with nanocapsules, indicating that the fabrics treated with nanocapsules had good washing durability. Copyright © 2015 John Wiley & Sons, Ltd.
Variational modeling and homogenization in dissipative magneto‐mechanics
Authors: Ethiraj Gautam , Sridhar Ashish , Miehe Christian
Published: April 2015

The aim of this work is to present new variational‐based modeling and homogenization approaches in dissipative magneto‐mechanics. On the modeling side, the presented constitutive models are motivated by the underlying physical phenomena at the micro‐ and nano‐scale that are embedded in appropriate variational‐based finite element frameworks. We discuss aspects that are characteristic to magneto‐mechanical problems such as the unity constraint on the magnetization, the inclusion of the surrounding free‐space, the micro‐mechanics of the coupled response etc. Following a hierarchical structure of scales, we present new variational principles for three model scenarios: (i) The modeling of magnetic domains at a micro‐level, (ii) the modeling of magnetorheological elastomers at a macro‐level and (iii) a homogenization‐based scale bridging scenario. Numerical simulations are outlined in each focus area in order to demonstrate the salient features of the variational‐based formulations. From the theoretical and computational standpoint, this work aims to contribute a building block to the ultimate goal of construction of a compatible hierarchy of computational models for magneto‐mechanically coupled materials. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Numerical energy relaxation to model microstructure evolution in functional magnetic materials
Authors: Kiefer Björn , Buckmann Karsten , Bartel Thorsten
Published: April 2015

This paper proposes energy relaxation‐based approaches for the modeling of magnetostriction, with a particular focus on single crystalline magnetic shape memory alloy response. The theoretical development relies on concepts of energy relaxation in the context of nonconvex free energy landscapes whose wells define preferred states of spontaneous straining and magnetization. The constrained theory of magnetoelasticity developed by DeSimone and James [1] represents the point of departure for the model development, and its capabilities, but also limitations, are demonstrated by means of representative numerical examples. The key features that characterize the extended approach are (i) the incorporation of elastic deformations, whose distribution among the individual phases occurs in an energy minimizing fashion, (ii) a finite magnetocrystalline anisotropy energy, that allows magnetization rotations away from easy axes, and (iii) dissipative effects, that are accounted for in an incremental variational setting for standard dissipative materials. In the context of introducing elastic strain energy, two different relaxation concepts, the convexification approach and the rank‐one relaxation with respect to first‐order laminates, are considered. In this manner, important additional response features, e.g. the hysteretic nature, the linear magnetization response in the pre‐variant reorientation regime, and the stress dependence of the maximum field induced strain, can be captured, which are prohibited by the inherent assumptions of the constrained theory. The enhanced modeling capabilities of the extended approach are demonstrated by several representative response simulations and comparison to experimental results taken from literature. These examples particularly focus on the response of single crystals under cyclic magnetic field loading at constant stress and cyclic mechanical loading at constant magnetic field. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Finding a Way: Modeling Landscape Prerequisites for Roman and Early‐Medieval Routes in the Netherlands
Authors: van Lanen Rowin J. , Kosian Menne C. , Groenewoudt Bert J. , Jansma Esther
Published: April 2015

This study focuses on reconstructing landscape prerequisites for Roman and early‐medieval routes in the Netherlands. We applied spatial modeling to modern and paleogeographical landscape data in order to determine geographical obstacles for possible translocation in ca. A.D. 100 and 800 via land and water. Network‐friction values were calculated to produce a spatial model of possible movement corridors and to enable the integration of archaeological data. Results show that in geographically dynamic lowland regions such as the current Netherlands, landscape units such as water, peat, and levees must have had a high impact on route orientation. The lower parts of the western Netherlands were almost inaccessible by land, implying that its inhabitants largely must have depended on rivers and streams for transportation. In Dutch coastal and river areas, the landscape changed drastically between A.D. 100 and 800, the largest changes occurring along the coast.
High‐performance conventional tunnelling – The Bibra Tunnel on project VDE 8, Germany / Konventioneller Hochleistungsvortrieb – Der Bibratunnel im Projekt VDE 8, Deutschland
Authors: Gisi Bruno , Schöbel Stefan
Published: April 2015

The 123 km long Erfurt‐Leipzig/Halle high speed train link connects in the north the cities of Berlin and Munich with Verona in the South as part of the EU's Trans‐Europe Network. The project which is designed for a top speed of 300 km/h is being managed by DB Projekt Bau, a subsidiary of Deutsche Bahn. The total cost of this section between Berlin and Munich including tunnels and bridges is estimated at 13 Mrd. Euro. On the project section VDE 8.2 between Erfurt–Leipzig/Halle three tunnels are being built with a total length of 15.4 km, each composed of two single track tubes with centers approx. 25 m apart. One tunnel is being executed by mechanized tunnelling, the two others by conventional drill and blast method. The longer of these two – the Bibra tunnel with a length of 6,466 m was awarded in January 2008 to the by Marti Tunnelbau AG lead J.V. for 209 m. Euro.

Concerning the implemented equipment – great emphasis is being put onto machines to increase the efficiency of the production as well as the handling of the muck by crushing the blasted material in the tunnel and transport it by conveyor belt systems with minimal emissions out of the tunnel to the final placement area.

Die 123 km lange Hochgeschwindigkeitsstrecke Erfurt‐Leipzig/ Halle verbindet im Norden die Städte Berlin und München mit Verona im Süden, dies als Teil der Trans‐Europa Hochleistungsbahnstrecke. Das Bahnprojekt ist für eine Höchstgeschwindigkeit von 300 km/h ausgelegt und wird durch die DB Projekt Bau, einer Tochtergesellschaft der Deutschen Bahn, umgesetzt. Die Gesamtkosten dieses Abschnitts zwischen Berlin und München mit Tunneln und Brücken betragen ca. 13 Mrd. Euro. Auf dem Projekt‐Abschnitt VDE 8.2 zwischen Erfurt–Leipzig/Halle werden drei Tunnels mit einer Gesamtlänge von 15,4 km gebaut, welche jeweils aus zwei einzelnen Tunnelröhren bestehen, die rund 25 m von einander entfernt sind. Einer dieser Tunnel wird als maschineller Tunnelvortrieb ausgeführt, die beiden anderen im konventionellen Sprengvortrieb. Der längere dieser beiden – der Bibra Tunnel mit einer Länge von 6.466 m wurde im Januar 2008 an die von der Marti Tunnelbau AG geführte Arbeitsgemeinschaft für 209 Mio. Euro vergeben.

In Bezug auf den Einsatz des Vortriebsinventars wird großer Wert auf leistungsfähiges Inventar gesetzt ‐ dies um die Effizienz des Vortriebs zu steigern sowie das Handling des gesprengten Ausbruchmaterials mittels installiertem Brecher im Tunnel bandgerecht zu zerkleinern und mit Bandförderungsanlagen emissionsarm durch den Tunnel der Endlagerstelle zu geführt werden kann.
ABS/NBS Karlsruhe‐Basel – Implementation of line section 1 and special features of the Rastatt Tunnel / ABS/NBS Karlsruhe‐Basel – Realisierung des Streckenabschnitts 1 und Besonderheiten beim Bau des Rastatter Tunnels
Authors: Grundhoff Thomas , Klar Sascha Björn
Published: April 2015

The northernmost section 1 (StA 1) of the section of line being upgraded (ABS) and newly built (NBS) between Karlsruhe and Basel runs from Karlsruhe to Rastatt Süd. 16 km of new line is being built, which should be in operation in 2022. The core structure of StA 1 is the 4, 270 m long Rastatt Tunnel, the second largest engineered structure in the overall ABS/NBS Karlsruhe‐Basel project after the Katzenberg Tunnel. The main contract for the construction of the tunnel was awarded in August 2014. The first preparatory construction measures on site started in summer 2013. Due to the prevailing conditions of topography and existing infrastructure and the continuously increasing requirements of approvals and codes, the construction of the Rastatt Tunnel poses great challenges for the engineers, which demand innovative solutions in design and construction as well as a collaborative approach from all those involved in the project.

Der nördlichste Streckenabschnitt 1 (StA 1) der Ausbau‐ und Neubaustrecke (ABS/NBS) Karlsruhe‐Basel führt von Karlsruhe bis nach Rastatt Süd. Hier entsteht ein rund 16 km langer Neubaustreckenabschnitt, der 2022 in Betrieb genommen werden soll. Das Herzstück des StA 1 ist der 4.270 m lange Tunnel Rastatt, nach dem Katzenbergtunnel das zweitgrößte Ingenieurbauwerk im Gesamtprojekt ABS/NBS Karlsruhe‐Basel. Die Vergabe für das Hauptgewerk Tunnelrohbau erfolgte im August 2014. Mit den ersten vorlaufenden Baumaßnahmen vor Ort wurde bereits im Sommer 2013 begonnen. Durch die vorherrschenden Verhältnisse aus Topographie und Bestand sowie stetig steigende Genehmigungs‐ und Regelwerksanforderungen stellt die Realisierung des Rastatter Tunnels die Ingenieure vor herausfordernde Aufgaben, die innovative Lösungen in Planung und Bau sowie eine partnerschaftliche Herangehensweise aller Projektbeteiligten erfordern.
Impact of Lean Production on Perceived Job Autonomy and Job Satisfaction: An Experimental Study
Authors: Rodríguez Denise , Buyens Dirk , Van Landeghem Hendrik , Lasio Virginia
Published: April 2015

Previous studies have indicated positive and negative effects of lean production on employees’ perceived work characteristics and job attitudes. The most detrimental consequence of lean production is a decrease in the perceived job autonomy of workshop employees. To reduce these negative consequences, we propose human resource practices for integration with lean production. Drawing on the job characteristics model, we hypothesized that the implementation of lean production combined with human resource practices would enhance perceived job autonomy, job satisfaction, and operational performance. To evaluate our hypotheses, we used an experimental design consisting of a simulation game that mimics a manufacturing company. We implemented lean production combined with human resource practices in this simulated company. The results indicated a significant increase in perceived job autonomy, job satisfaction, and operational performance. Moreover, the results revealed a positive relationship between job satisfaction and operational performance.
Cervical cancer prevented by screening: Long‐term incidence trends by morphology in Norway
Authors: Lönnberg Stefan , Hansen Bo Terning , Haldorsen Tor , Campbell Suzanne , Schee Kristina , Nygård Mari
Published: April 2015

Both major morphologic types of cervical cancer, squamous cell carcinoma (SCC) and adenocarcinoma (AC), are causally related to persistent infection with high‐risk human papillomavirus (hrHPV), but screening has primarily been effective at preventing SCC. We analysed incidence trends of cervical cancer in Norway stratified by morphologies over 55 years, and projected SCC incidence in the absence of screening by assessing the changes in the incidence rate of AC. The Cancer Registry of Norway was used to identify all 19,530 malignancies in the cervix diagnosed in the period 1956–2010. The majority of these (82.9%) were classified as SCCs, 10.5% as ACs and the remaining 6.6% were of other or undefined morphology. By joint‐point analyses of a period of more than five decades, the average annual percentage change in the age‐standardised incidence was −1.0 (95%CI: −2.1–0.1) for cervical SCC, 1.5 (95%CI:1.1–1.9) for cervical AC and −0.9 (95%CI: −1.4 to −0.3) for cervical cancers of other or undefined morphology. The projected age‐standardised incidence rate of cervical SCC in Norway, assuming no screening, was 28.6 per 100,000 woman‐years in 2010, which compared with the observed SCC rate of 7.3 corresponds to an estimated 74% reduction in SCC or a 68% reduction due to screening in the total cervical cancer burden. Cytology screening has impacted cervical cancer burden more than suggested by the overall observed cervical cancer incidence reduction since its peak in the mid‐1970s. The simultaneous substantial increase in cervical adenocarcinoma in Norway is presumably indicative of an increase in exposure to HPV over time.
Screening of Oligopeptides that Recognize Inorganic Crystalline Facets of Metal Nanoparticles
Authors: Wei Zengyan , Maeda Yoshiaki , Kanetsuki Yuka , Shi Menglu , Matsui Hiroshi
Published: April 2015

Peptides that possess specific affinity to distinct crystal facets have been reported previously. However, their adsorption behavior in terms of the crystal sizes and shapes is less exploited. Herein, we isolate several phage clones that show the strong affinity to {100} of Pd at a neutral pH from the M13 phage library, and among them the phages that have shape selectivity to the cubic structure are identified by eliminating ones that bind randomly shaped Pd nanoparticles (NPs). Since Pd nanocube‐binding phages are eluted by lowering pH values in the biopanning process, the selected phages (and their binding peptides displayed on protein pIII) can be released from Pd surfaces through pH changes. We used this feature to modulate the capping density of selected peptides on NPs. For example, when less peptides are capped on Pd nanocubes by lowering the pH values, the shape of the nanocubes is deformed and some evolve into a concave shape, indicating that Pd atoms are released from the less protected {100} facet selectively due to the higher surface energy. This type of crystalline facet‐recognizing peptides can be applied for smart capping agents that not only bind target crystalline planes, but also modify their coverage on the specific surfaces with pH changes. The peptide‐capping agents could be useful to fabricate NPs with characteristic shapes through etching and adsorption of atoms on specific crystalline planes of seed nanocrystals.
My Soul to Take: A Phenomenology of the Struggle for an Authentic Gay Spirituality
Authors: McGlasson Terencio Daunte , Rubel Deborah J.
Published: April 2015

This phenomenological study explored the “coming‐out” experience of 7 gay men who were significantly influenced by conservative Christianity in their formative years and who are living as “out” gay men. Four commonalities were revealed in their experience of this phenomenon: (a) a realization and acceptance of their gay identity, (b) a reckoning that action was required, (c) a rejection of the oppressive religious authority in their lives, and (d) a reorientation in their pursuit of a healthy spirituality. The study includes a review of the relevant literature and recommendations to counselors in addressing the unique needs of spiritually oriented lesbian, gay, bisexual, transgender, and questioning individuals.
Helicopter Parenting: The Effect of an Overbearing Caregiving Style on Peer Attachment and Self‐Efficacy
Authors: van Ingen Daniel J. , Freiheit Stacy R. , Steinfeldt Jesse A. , Moore Linda L. , Wimer David J. , Knutt Adelle D. , Scapinello Samantha , Roberts Amber
Published: April 2015

Helicopter parenting, an observed phenomenon on college campuses, may adversely affect college students. The authors examined how helicopter parenting is related to self‐efficacy and peer relationships among 190 undergraduate students ages 16 to 28 years. Helicopter parenting was associated with low self‐efficacy, alienation from peers, and a lack of trust among peers. Implications are provided for counselors and psychologists in college‐ and university‐based counseling centers to help them to understand and provide assessment and treatment for adult children of helicopter parents.
Exploring the Relationship Between Gay Affirmative Practice and Empathy Among Mental Health Professionals
Authors: Love Michael M. , Smith Adam E. , Lyall Sarah E. , Mullins Jaclyn L. , Cohn Tracy J.
Published: April 2015

During the last several decades, psychologists have placed emphasis on multicultural competence as an essential aspect of training and practice. However, despite this emphasis, empirical data on the effects of multicultural training and practice are generally limited to variables such as race and ethnicity, with very little research on sexual minorities. However, a framework for understanding competent practice with sexual minorities does exist in the form of the concept of gay affirmative practice (GAP), which has been successfully operationalized by Crisp (). Using the GAP measure and scores of empathy, the authors examined students and practitioners in the helping profession to explore the relationship between empathy and level of gay affirmative work. Findings indicated that levels of empathy predicted overall levels of GAP. The authors discuss the clinical implications of these findings and explore how the findings fit within the literature surrounding empathic understanding.

Durante las últimas décadas, los psicólogos han puesto un énfasis especial en la competencia multicultural como un aspecto esencial en la formación y la práctica. Sin embargo, a pesar de este énfasis, los datos empíricos sobre los efectos de la formación multicultural y su práctica están generalmente limitados a variables como raza y etnicidad, con escasas investigaciones realizadas sobre minorías sexuales. Aun así, existe un marco teórico para comprender la práctica competente con minorías sexuales denominado terapia afirmativa gay (GAP, por sus siglas en inglés), que fue operacionalizado con éxito por Crisp (). Usando las medidas GAP y puntuaciones de empatía, los autores examinaron a estudiantes y profesionales del campo de la consejería para explorar la relación entre empatía y el nivel de trabajo afirmativo con la comunidad gay. Los resultados indicaron que los niveles de empatía pronosticaron niveles totales de GAP. Los autores discuten las implicaciones clínicas de estos resultados y exploran cómo estos encajan con la literatura sobre comprensión empática.
Diaspora Literacies
Authors: Dávila Liv Thorstensson
Published: April 2015

This research study explored two young African immigrant women English learners’ perspectives on reading, and literacy more broadly, in relation to motivation and identity during a year‐long qualitative study at a large, urban high school in the U.S. southeast. Data were collected through interviews and observations that focused on reading practices and preferences in relation to gender, immigration, and school performance. Findings reveal that while learning to read in a new language these students were simultaneously developing literacy in their first languages through autonomous reading practices, including reading native‐language texts, and on‐line news sources. Findings also suggest that scaffolding autonomous reading may be one way to help newly arrived English learners develop academic and social literacy and foster a sense of belonging in their new communities.
Resveratrol Regulates the Quiescence‐Like Induction of Activated Stellate Cells by Modulating the PPARγ/SIRT1 Ratio
Authors: de Souza Izabel Cristina Custódio , Martins Leo Anderson Meira , de Vasconcelos Mariana , de Oliveira Cleverson Moraes , Barbé‐Tuana Florencia , Andrade Cláudia Balbinotti , Pettenuzzo Letícia Ferreira , Borojevic Radovan , Margis Rogério , Guaragna Regina , Guma Fátima Costa Rodrigues
Published: April 2015

The activation of hepatic stellate cell (HSC), from a quiescent cell featuring cytoplasmic lipid droplets to a proliferative myofibroblast, plays an important role in liver fibrosis development. The GRX line is an activated HSC model that can be induced by all‐trans‐retinol to accumulate lipid droplets. Resveratrol is known for activating Sirtuin1 (SIRT1), a NAD+‐dependent deacetylase that suppresses the activity of peroxisome proliferator‐activated receptor gamma (PPARγ), an important adipogenic transcription factor involved in the quiescence maintenance of HSC. We evaluated the effects of 0.1 μM of resveratrol in retinol‐induced GRX quiescence by investigating the interference of SIRT1 and PPARγ on cell lipogenesis. GRX lipid accumulation was evaluated through Oil‐red O staining, triacylglycerides quantification, and [14C] acetate incorporation into lipids. mRNA expression and protein content of SIRT1 and PPARγ were measured by RT‐PCR and immunoblotting, respectively. Resveratrol‐mediated SIRT1 stimuli did not induce lipogenesis and reduced the retinol‐mediated fat‐storing capacity in GRX. In order to support our results, we established a cell culture model of transgenic super expression of PPARγ in GRX cells (GRXPγ). Resveratrol reduced lipid droplets accumulation in GRXPγ cells. These results suggest that the PPARγ/SIRT1 ratio plays an important role in the fate of HSC. Thus, whenever the PPARγ activity is greater than SIRT1 activity the lipogenesis is enabled. J. Cell. Biochem. 116: 2304–2312, 2015. © 2015 Wiley Periodicals, Inc.
Toward assessment of density functionals for vibronic coupling in two‐photon absorption: A case study of 4‐nitroaniline
Authors: Zaleśny Robert , Tian Guangjun , Hättig Christof , Bartkowiak Wojciech , Ågren Hans
Published: April 2015

In this study, we predict vibronic two‐photon absorption (TPA) spectra for 4‐nitroaniline in vacuo. The simulations are performed using density functional theory and the approximate second‐order coupled‐cluster singles and doubles model CC2. Thereby we also demonstrate the possibility of simulations of vibronic TPA spectra with ab initio wavefunction methods that include electron correlation for medium‐sized systems. A special focus is put on the geometric derivatives of the second‐order transition moment and the dipole moment difference between the charge‐transfer excited state and the ground state. The results of CC2 calculations bring new insight into the vibronic coupling mechanism in TPA spectra of 4‐nitroniline and demonstrate that the mixed term is quite large and that it also exhibits a negative interference with the Franck‐Condon contribution. © 2015 Wiley Periodicals, Inc.
Using bonding to guide transition state optimization
Authors: Birkholz Adam B. , Schlegel H. Bernhard
Published: April 2015

Optimization of a transition state typically requires both a good initial guess of the molecular structure and one or more computationally demanding Hessian calculations to converge reliably. Often, the transition state being optimized corresponds to the barrier in a chemical reaction where bonds are being broken and formed. Utilizing the geometries and bonding information for reactants and products, an algorithm is outlined to reliably interpolate an initial guess for the transition state geometry. Additionally, the change in bonding is also used to increase the reliability of transition state optimizations that utilize approximate and updated Hessian information. These methods are described and compared against standard transition state optimization methods. © 2015 Wiley Periodicals, Inc.
Monsoon teleconnections over Indian and Pacific Oceans in Japan Meteorological Agency model simulation
Authors: Theja P. K. , Sreejith O. P. , Pai D. S.
Published: April 2015

The study evaluates various sea surface temperature (SST) indices and their teleconnections with Indian summer monsoon rainfall (ISMR) simulated by Japan Meteorological Agency (JMA) coupled general circulation model (CGCM). The indices considered for evaluations are Niño indices (Niño 4, Niño 3.4, Niño 3 and Niño 1 + 2) of Pacific Ocean (PO) and Indian Ocean dipole (IOD) indices [eastern IO (IOD E), western IO (IOD W) and dipole mode index (DMI)] of Indian Ocean (IO). The study has been carried out for the season June to September (JJAS) using JMA hindcast SST simulated on various initial conditions May, April, March and February (here after leads 0, 1, 2 and 3, respectively) during the period 1979–2010. The extended reconstructed SST (ERSST) from National Center for Environmental Prediction is used as observed SST. The important outcome of this study is that the inverse relationship between Niño 3.4 and ISMR is found to be re‐established in recent years after a period of weakening. The JMA model is able to simulate the same with highest skill on lead 1. The PO SST characteristics including climatology, spatial anomaly pattern and interannual variability of Niño indices are well captured in the model lead 0 simulation (correlation coefficient is above 0.80). The model simulation on lead 0 is able to predict the El Niño Southern oscillation (ENSO) events during hindcast period with good skill. It is also noted from this study that the model skill to simulate PO SST characteristics is decreasing with increase of lead time. This study is also showing that the model has some deficiency to simulate IO SST characteristics. The model performance in the simulation of IOD events is not appreciable. Thus, this study is recommending JMA model as an efficient ENSO predicting tool, however the model requires improvements to predict IOD events.
Effects of ditch‐buried straw return on water percolation, nitrogen leaching and crop yields in a rice–wheat rotation system
Authors: Yang Haishui , Xu Mingmin , Koide Roger T , Liu Qian , Dai Yajun , Liu Ling , Bian Xinmin
Published: April 2015

BACKGROUND

Crop residue management and nitrogen loss are two important environmental problems in the rice–wheat rotation system in China. This study investigated the effects of burial of straw on water percolation, nitrogen loss by leaching, crop growth and yield. Greenhouse mesocosm experiments were conducted over the course of three simulated cropping seasons in a rice1–wheat–rice2 rotation.

RESULTS

Greater amounts of straw resulted in more water percolation, irrespective of crop season. Burial at 20 and 35 cm significantly reduced, but burial at 50 cm increased nitrogen leaching. Straw at 500 kg ha−1 reduced, but at 1000 kg ha−1 and at 1500 kg ha−1 straw increased nitrogen leaching in three consecutive crop rotations. In addition, straw at 500 kg ha−1 buried at 35 cm significantly increased yield and its components for both crops.

CONCLUSIONS

This study suggests that N losses via leaching from the rice–wheat rotation may be reduced by the burial of the appropriate amount of straw at the appropriate depth. Greater amounts of buried straw, however, may promote nitrogen leaching and negatively affect crop growth and yields. Complementary field experiments must be performed to make specific agronomic recommendations. © 2015 Society of Chemical Industry
Laser Additive Manufacturing with Crack‐sensitive Materials
Authors: Brückner Frank , Finaske Thomas , Willner Robin , Seidel André , Nowotny Steffen , Leyens Christoph , Beyer Eckhard
Published: April 2015

Laser additive manufacturing is state‐of‐the‐art and regarded as a key technology in the future of production engineering [1]. Originating from a computer model, a new freedom of design can be achieved by simply adding layer by layer. Beyond the new perspectives and extended possibilities of conventional processes there are fields of application which already have been opened up. One of those is the highly innovative but demanding field of processing with heat resisting alloys (see Fig. 1). This field of engineering has traditionally been a door opener for hightech technologies such as aerospace or energy [2, 3].
Subsurface seeding of surface harmful algal blooms observed through the integration of autonomous gliders, moored environmental sample processors, and satellite remote sensing in southern California
Authors: Seegers Bridget N. , Birch James M. , Marin Roman , Scholin Chris A. , Caron David A. , Seubert Erica L. , Howard Meredith D. A. , Robertson George L. , Jones Burton H.
Published: April 2015

An observational study was performed in the central Southern California Bight in Spring 2010 to understand the relationship between seasonal spring phytoplankton blooms and coastal processes that included nutrient input from upwelling, wastewater effluent plumes, and other processes. Multi‐month Webb Slocum glider deployments combined with MBARI environmental sample processors (ESPs), weekly pier sampling, and ocean color data provided a multidimensional characterization of the development and evolution of harmful algal blooms (HABs). Results from the glider and ESP observations demonstrated that blooms of toxic Pseudo‐nitzschia sp. can develop offshore and subsurface prior to their manifestation in the surface layer and/or near the coast. A significant outbreak and surface manifestation of the blooms coincided with periods of upwelling, or other processes that caused shallowing of the pycnocline and subsurface chlorophyll maximum. Our results indicate that subsurface populations can be an important source for “seeding” surface Pseudo‐nitzschia HAB events in southern California.
BOOK REVIEW
Authors: Richardson Jonathan L.
Published: April 2015

COHEN, ANDREW S. 2003. Paleolimnology: The History and Evolution of Lake Systems. Oxford University Press. ISBN 0‐19‐513353‐6 (hardbound). xxiv + 500 p. US $115.
BOOK REVIEW
Authors: Bergey Elizabeth A.
Published: April 2015

BENKE, ARTHUR C., and COLBERT E. CUSHING (eds.). 2005. Rivers of North America. Elsevier Academic Press. ISBN 0‐12‐088253‐1 (hardcover). xxiii + 1144 p. US $100.
Pulmonary nodules in liver transplant candidates with hepatocellular carcinoma: Imaging characteristics and clinical outcomes
Authors: Lee Christopher , Ihde Lauren , Kim Andrew , Santos Idoia , Matsuoka Lea , Cen Yong , Wallman Melissa , Grant Edward
Published: April 2015

No guidelines exist for the management of pulmonary nodules in patients with hepatocellular carcinoma (HCC) who are being evaluated for liver transplantation. The 172 patients with HCC who were listed for liver transplant at our institution received both pretransplant chest computed tomography (CT) and follow‐up CT. Pulmonary nodules on CT were characterized and followed on subsequent scans by a blinded radiologist, with a consensus review with a second radiologist being performed for equivocal cases. Nodule characteristics and outcomes were examined with chi‐square tests, and the posttransplant survival of patients with different nodule outcomes was compared. Cumulative probabilities of waiting‐list removal for nontransplant patients and cumulative probabilities of undergoing transplantation for all patients were also compared between patients with and without pulmonary nodules. Of all the patients, 76.2% had at least 1 pulmonary nodule on pretransplant CT, with 301 total nodules characterized; 2.7% of nodules represented HCC metastases, 1.0% represented other bronchopulmonary malignancies, and 2.7% represented infections. None of the malignant nodules exhibited a triangular/lentiform shape or calcifications. There were no statistically significant differences in pulmonary nodule outcomes between patients who underwent transplantation and those who did not undergo transplantation. No significant differences in posttransplant survival were found between patients with different nodule outcomes. There was also no significant difference between patients with and without nodules in the cumulative probabilities of waiting‐list removal. However, the cumulative probability of undergoing liver transplantation was borderline significantly higher in patients without pulmonary nodules. In conclusion, despite the low prevalence of malignant nodules, all pulmonary nodules besides triangular/lentiform‐shaped or calcified nodules should be followed with serial CT while the patient is on the transplant list, with biopsy performed for new and/or enlarged nodules. Both malignancy and active infection must be excluded when one is confronted with enlarged pulmonary nodules. Clinicians should also be aware of the possibility of reactivation of a granulomatous infection after transplantation. Liver Transpl 21:1169–1178, 2015. © 2015 AASLD.
A Low Protein Binding Cationic Poly(2‐oxazoline) as Non‐Viral Vector
Authors: He Zhijian , Miao Lei , Jordan Rainer , S‐Manickam Devika , Luxenhofer Robert , Kabanov Alexander V.
Published: April 2015

Developing safe and efficient non‐viral gene delivery systems remains a major challenge. We present a new cationic poly(2‐oxazoline) (CPOx) block copolymer for gene therapy that was synthesized by sequential polymerization of non‐ionic 2‐methyl‐2‐oxazoline and a new 2‐oxazoline monomer, 2‐(N‐methyl, N‐Boc‐amino)‐methyl‐2‐oxazoline, followed by deprotection of the pendant secondary amine groups. Upon mixing with plasmid DNA (pDNA), CPOx forms small (diameter ≈80 nm) and narrowly dispersed polyplexes (PDI <0.2), which are stable upon dilution in saline and against thermal challenge. These polyplexes exhibited low plasma protein binding and very low cytotoxicity in vitro compared to the polyplexes of pDNA and poly(ethylene glycol)‐b‐poly(L‐lysine) (PEG‐b‐PLL). CPOx/pDNA polyplexes at N/P = 5 bound considerably less plasma protein compared to polyplexes of PEG‐b‐PLL at the same N/P ratio. This is a unique aspect of the developed polyplexes emphasizing their potential for systemic delivery in vivo. The transfection efficiency of the polyplexes in B16 murine melanoma cells was low after 4 h, but increased significantly for 10 h exposure time, indicative of slow internalization of polyplexes. Addition of Pluronic P85 boosted the transfection using CPOx/pDNA polyplexes considerably. The low protein binding of CPOx/pDNA polyplexes is particularly interesting for the future development of targeted gene delivery.