bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sequential One‐Pot Addition of Excess Aryl‐Grignard Reagents and Electrophiles to O‐Alkyl Thioformates
Authors: Murai Toshiaki , Morikawa Kenta , Maruyama Toshifumi 
Published: August 2013

AbstractThe sequential addition of aromatic Grignard reagents to O‐alkyl thioformates proceeded to completion within 30 s to give aryl benzylic sulfanes in good yields. This reaction may begin with the nucleophilic attack of the Grignard reagent onto the carbon atom of the O‐alkyl thioformates, followed by the elimination of ROMgBr to generate aromatic thioaldehydes, which then react with a second molecule of the Grignard reagent at the sulfur atom to form arylsulfanyl benzylic Grignard reagents. To confirm the generation of aromatic thioaldehydes, the reaction between O‐alkyl thioformates and phenyl Grignard reagent was carried out in the presence of cyclopentadiene. As a result, hetero‐Diels–Alder adducts of the thioaldehyde and the diene were formed. The treatment of a mixture of the thioformate and phenyl Grignard reagent with iodine gave 1,2‐bis(phenylsulfanyl)‐1,2‐diphenyl ethane as a product, which indicated the formation of arylsulfanyl benzylic Grignard reagents in the reaction mixture. When electrophiles were added to the Grignard reagents that were generated in situ, four‐component coupling products, that is, O‐alkyl thioformates, two molecules of Grignard reagents, and electrophiles, were obtained in moderate‐to‐good yields. The use of silyl chloride or allylic bromides gave the adducts within 5 min, whereas the reaction with benzylic halides required more than 30 min. The addition to carbonyl compounds was complete within 1 min and the use of lithium bromide as an additive enhanced the yields of the four‐component coupling products. Finally, oxiranes and imines also participated in the coupling reaction.
CUDA accelerated molecular surface generation
Authors: D'Agostino Daniele , Clematis Andrea , Decherchi Sergio , Rocchia Walter , Milanesi Luciano , Merelli Ivan 
Published: August 2013

SUMMARYA proper and efficient representation of possibly complex and large molecular surfaces is an important task in bioinformatics and biophysics. Molecular surfaces indeed are used for different aims, in particular, for computation, as visual support tools for biologists, in electrostatics problems involving implicit solvents (e.g. while solving the Poisson–Boltzmann equation) or for molecular dynamics simulations. This is the reason why, in literature, a multitude of algorithms that differ on the basis of the adopted representation and the approach/technology used were proposed. In this paper we present a CUDA‐based software component able to produce high‐resolution molecular surfaces based on the Van der Waals, solvent accessible, Richards–Connolly and blobby definitions. The component was designed to be used in heterogeneous visualization pipelines; therefore, the representation of the molecular surfaces suits both the direct visualization and the efficient storing for following processing steps. Experimental results show speedup figures between 39.3 and 88.4 considering molecules of different sizes and surface resolutions, resulting in meshes of up to 258.6 million triangles. Copyright © 2013 John Wiley & Sons, Ltd.
Ultrafast Photoinduced Electron Transfer in Viologen‐Linked BODIPY Dyes
Authors: Frath Denis , Yarnell James E. , Ulrich Gilles , Castellano Felix N. , Ziessel Raymond 
Published: August 2013

AbstractNew boron‐dipyrromethene (BODIPY) dyes linked to viologen are prepared and their photophysical and electrochemical properties are investigated. Both synthesized molecules have similar electronic absorption spectra with the absorption maximum localized at 517 and 501 nm for dye 1 and dye 2, respectively. They exhibit well‐defined redox behavior, highlighting the presence of BODIPY and viologen subunits, with little perturbation of the redox potential of both subunits with respect to the parent compounds. Both dyes are heavily quenched by photoinduced electron transfer from the BODIPY to the viologen subunit. The transient absorption technique demonstrates that dye 2 forms the viologen radical within a timeframe of 7.1 ps, and that the charge‐separated species has a lifetime of 59 ps. Sustained irradiation of dye 2 in the presence of a tertiary amine allows for the accumulation of BODIPY–methyl‐4,4′‐bipyridinium (BODIPY–MV+), as observed by its characteristic absorption at 396 and 603 nm. However, dye 2 does not generate catalytic amounts of hydrogen under standard conditions.
Limit‐cycle stable control of current‐mode dc‐dc converter with zero‐perturbation dynamical compensation
Authors: Lu Wei guo , Lang Shuang , Li Anxin , Iu Herbert Ho‐Ching 
Published: August 2013

SummaryRegarding the non‐limit‐cycle instabilities, which commonly exist in the feedback‐controlled switching power converters, a new zero‐perturbation dynamical compensation method is proposed based on a simplified self‐stable dynamical compensation condition in this paper. With a current‐mode Buck converter as the subject of investigation, the corresponding self‐stable perturbation control equation is given. At the same time, the system stability boundary is obtained based on the investigation of the system eigenvalues, and hence, the working range of control parameters is determined. Finally, the presented simulation and experiment results reveal that the new zero‐perturbation dynamical compensation controller is easily realized with an analog circuit and it will not sacrifice the working range of the original reference current compared with the traditional slope compensation. Copyright © 2013 John Wiley & Sons, Ltd.
Generation of THz Radiation by Laser Plasma Interaction
Authors: Singh M. , Sharma R. P. 
Published: August 2013

AbstractThis paper presents the three wave parametric decay process to generate the Terahertz (THz) radiations in magnetized plasma. The pump wave (Laser beam) is considered in the extraordinary mode (x‐mode), propagating perpendicular to the background magnetic field. This pump wave decays into an upper hybrid wave and a THz wave which is in magnetosonic mode. The appropriate expressions for the coupling coefficients of the threewave interaction and THz wave amplitude have been derived. Subsequently, the growth rate of this decay instability is also calculated. Various laser and plasma parameters were optimized and we report efficiency of the order of ∼1.4 × 10–2 for current scheme. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Empirical examination of the interpersonal maintenance model of anorexia nervosa
Authors: Goddard E. , Salerno L. , Hibbs R. , Raenker S. , Naumann U. , Arcelus J. , Ayton A. , Boughton, DClinPsy N. , Connan F. , Goss, DClinPsy K. , Lacey H. , Laszlo B. , Morgan J. , Moore K. , Robertson D. , Schreiber‐Kounine C. , Sharma S. , Whitehead L. , Schmidt U. , Treasure J. 
Published: August 2013

ABSTRACTObjectiveA cognitive interpersonal maintenance model of anorexia nervosa (AN) was first proposed in 2006 and updated in 2013 (Schmidt and Treasure, J Br J Clin Psychol, 45, 343‐366, 2006; Treasure and Schmidt, J Eat Disorders, in press.). The aim of this study was to test the interpersonal component of this model in people with AN requiring intensive hospital treatment (inpatient/daypatient).MethodOn admission to hospital women with AN or eating disorder not otherwise specified (AN subtype; n = 152; P) and their primary carers (n = 152; C) completed questionnaires on eating symptoms (P), depression and anxiety (P, C), accommodation and enabling (C), and psychological control (C). Structural equation modeling was used to examine relationships among these components.ResultsCarers' expressed emotion and level of psychological control were significantly related to carers' distress, which in turn, was related to patients' distress. This pathway significantly predicted eating symptoms in patients.DiscussionThe cognitive interpersonal maintenance model of eating disorders (EDs) was confirmed in part and suggests that interventions targeting interpersonal maintaining factors such as carer distress might impact on patient outcomes. © 2013 Wiley Periodicals, Inc. (Int J Eat Disord 2013; 46:867–874)
Do end of treatment assessments predict outcome at follow‐up in eating disorders?
Authors: Lock James , Agras W. Stewart , Le Grange Daniel , Couturier Jennifer , Safer Debra , Bryson Susan W. 
Published: August 2013

ABSTRACTObjectiveTo examine the predictive value of end of treatment (EOT) outcomes for longer term recovery status.MethodWe used signal detection analysis to identify the best predictors of recovery based on outcome at EOT using five different eating disorder samples from randomized clinical treatment trials. We utilized a transdiagnostic definition of recovery that included normalization of weight and eating related psychopathology.ResultsAchieving a body weight of 95.2% of expected body weight by EOT is the best predictor of recovery for adolescents with anorexia nervosa (AN). For adults with AN, the most efficient predictor of weight recovery (BMI > 19) was weight gain to greater than 85.8% of ideal body weight. In addition, for adults with AN, the most efficient predictor of psychological recovery was achievement of an eating disorder examination (EDE) weight concerns score below 1.8. The best predictor of recovery for adults with Bulimia Nervosa (BN) was a frequency of compensatory behaviors less than two times a month. For adolescents with BN, abstinence from purging and reduction in the EDE restraint score of more than 3.4 from baseline to EOT were good predictors of recovery. For adults with binge eating disorder, reduction of the Global EDE score to within the normal range (<1.58) was the best predictor of recovery.DiscussionThe relationship between EOT response and recovery remains understudied. Utilizing a transdiagnostic definition of recovery, no uniform predictors were identified across all eating disorder diagnostic groups. © 2013 Wiley Periodicals, Inc. (Int J Eat Disord 2013; 46:771–778)
Total Syntheses of (+)‐Valiolamine and (–)‐1‐epi‐Valiolamine from Naturally Abundant (–)‐Shikimic Acid
Authors: Quan Na , Nie Liang‐Deng , Zhu Rui‐Heng , Shi Xiao‐Xin , Ding Wei , Lu Xia 
Published: August 2013

AbstractTotal syntheses of (+)‐valiolamine (1) and (–)‐1‐epi‐valiolamine (2) from the naturally abundant (–)‐shikimic acid are described. Ethyl 3‐epi‐5‐O‐methylsulfonyl‐shikimate (3), as the key common intermediate, was first synthesized in five steps in 74 % overall yield, and then converted into the targets 1 and 2 in seven steps in 48 and 41 % overall yield, respectively.
Tetrazole‐Substituted Five, Six, and Seven‐Membered Cyclic Amines Bearing Perfluoroalkyl Groups – Efficient Synthesis by Azido‐Ugi Reaction
Authors: Shmatova Olga I. , Nenajdenko Valentine G. 
Published: August 2013

AbstractThe application of perfluoroalkylated cyclic imines in azido‐Ugi reactions was studied. It was shown that the reaction allows access to five‐, six‐ and seven‐membered perfluoroalkylated cyclic amines connected to a tetrazole ring. The scope and limitations of this approach are discussed. When benzyl isocyanide was used in the azido‐Ugi reaction, it was shown that the tetrazole products could easily be debenzylated by catalytic hydrogenation to form 1H‐tetrazoles in excellent yields.
Properties of Sulfonated Poly(Arylene Ether Sulfone)/Functionalized Carbon Nanotube Composite Membrane for High Temperature PEMFCs
Authors: Yu D. M. , Sung I. H. , Yoon Y. J. , Kim T.‐H. , Lee J. Y. , Hong Y. T. 
Published: August 2013

AbstractComposite membranes are prepared using sulfonated poly (arylene ether sulfone) (SPAES) copolymers and the incorporation of functionalized multiwall carbon nanotubes (CNTs) for high temperature (120 °C) proton exchange membrane fuel cells (PEMFCs). The CNT is functionalized with sulfonated groups that are expected to support the improvement of water absorption and mechanical properties. The SPAES copolymers are synthesized with sulfonation degree (DS) = 0.5 and the sulfonated CNT (s‐CNT) is dispersed into the SPAES copolymers in varying ratios to fabricate the composite membranes. In this study, the proton conductivity, water uptake, and single cell test of the composite membrane are investigated for verifying the effects of the enhancement at high temperature and low humidity. The composite membrane containing 0.2 wt.% s‐CNT increases proton conductivity approximately 45% at 120 °C and 50% relative humidity and enhances the tensile strength by about 1.3 times compared to the pristine membrane. However, the proton conductivity and water absorption shows a decline when more than 0.2 wt.% s‐CNT is added in the composite membrane, due to the aggregation of the s‐CNT, which serves as a proton barrier. For the single cell test, the developed composite membrane with 0.2 wt.% s‐CNT exhibits a notable performance for high temperature PEMFC.
Comparative Study of On‐Line Membrane Electrode Assembly Activation Procedures in Proton Exchange Membrane Fuel Cell
Authors: Zhiani M. , Majidi S. , Taghiabadi M. M. 
Published: August 2013

AbstractThe major objectives of this study are to identify the best activation procedure between commonly used procedures that can significantly reduce the conditioning duration and to understand the change in interfacial properties during conditioning. In order to do that, three on‐line activation procedures were employed for activating of identical MEAs in PEMFC and studied by polarization curve and electrochemical impedance spectroscopy (EIS). These methods are constant current (0.25 A cm–2) for 19 h, constant voltage (0.6 V) for 9 h, and USFCC protocol.The best performance was achieved by USFCC protocol within 15 h, but by constant voltage procedure, 96% of mentioned protocol was obtained during 6 h. So constant voltage activation proceeded remarkably fast, and most of the activation process was achieved in the first few hours.Obtained results from Nyquist plots during/after MEA conditioning indicate mentioned process are irreversible and interfacial structures of MEAs are different even after finishing of MEA break‐in. It could be affected the MEA performance and even its durability. These results are consistence with the obtained performance of activated MEAs either in H2/air or H2/O2 PEMFC. We found the mentioned constant current procedure consume long time without reaching to expectable performance even after 19 h.
Synthesis of Ultrafine Size Platinum Nanoparticles on Defective Graphene with Enhanced Performance Towards Methanol Electro‐Oxidation
Authors: He C.‐L. , Jiang Y.‐X. , Rao L. , Wang Q. , Zhang B.‐W. , Li Y.‐Y. , Sun S.‐G. 
Published: August 2013

AbstractGraphene nanosheets (GS) were formed by the thermal‐expansion method. Large micropores about 1–2 nm were produced, which might provide abundant anchor sites for fixing catalyst. Platinum nanoparticles (NPs) supported on exfoliated GS (Pt/GS) were synthesized through an improved impregnation approach and mixture gas (5% H2 in N2) reduction. SEM and TEM images indicated the simple and clean method can effectively synthesize Pt with uniform dispersion and small size (below 3 nm) on the 2D specific and stratiform GS. The different amounts of Pt loaded on carbon carriers have been investigated respectively to evaluate the preferable electrocatalyst. Experimental results showed that Pt/GS of 20 wt.% initiated CO oxidation at the lowest onset potential in comparison with the commercial Pt/C (JM), indicating a higher CO tolerance of Pt/GS catalysts. In addition, Pt/GS of 20 wt.% exhibited enhanced electrocatalytic activity and high durability towards methanol oxidation. The high performance is exclusively attributed to synergistic effects of exfoliated GS and ultrafine size Pt NPs. Combining a melt‐diffusion strategy with the effective reduction of Pt precursors by the hydrogen gas, this present method is easy to scale up and possesses a significant potential for synthesizing anode electro‐catalyst of direct methanol fuel cells.
Effectiveness of group reminiscence therapy for depressive symptoms in male veterans: 6‐month follow‐up
Authors: Chueh Ke‐Hsin , Chang Tsai‐Yun 
Published: August 2013

ObjectiveThe purpose of this study was to use group reminiscence therapy (GRT) as a nursing intervention to evaluate the post‐test, 3‐month and 6‐month effects on depressive symptoms for institutionalised male veterans after a 4‐week intervention.MethodsA quasi‐experimental design and purposive sampling was conducted at a veteran's nursing home in Northern Taiwan. A total of 21 male veterans were studied to measure the effect of GRT. Eleven participants were in the experimental group and 10 in the control group. The experimental group activity was held twice weekly for 4 weeks. The Taiwan Geriatric Depression Scale was used to assess depressive symptoms and geriatric depression among male veterans. The generalised estimating equation was used for data analysis.ResultsThe male veterans in this study had a mean age of 82 years (SD = 5.8); 47.62% were between 70 and 79 years old, 61.90% were illiterate and 90.48% were without a partner. After 4 weeks of GRT, the experimental group significantly improved their depressive symptoms and geriatric depression in the post‐test, 3‐month and 6‐month follow‐up data compared with the control group. These activities can reduce their depressive symptoms following the intervention.ConclusionA 4‐week, eight‐session GRT can effectively reduce depressive symptoms among institutionalised male veterans for a 6‐month period. Copyright © 2013 John Wiley & Sons, Ltd.
Solar cycle variations in polar cap area measured by the superDARN radars
Authors: Imber S. M. , Milan S. E. , Lester M. 
Published: August 2013

AbstractWe present a long‐term study, from January 1996 to August 2012, of the latitude of the Heppner‐Maynard Boundary (HMB) measured at midnight using the northern hemisphere Super Dual Auroral Radar Network (SuperDARN). The HMB represents the equatorward extent of ionospheric convection and is used in this study as a measure of the global magnetospheric dynamics. We find that the yearly distribution of HMB latitudes is single peaked at 64° magnetic latitude for the majority of the 17 year interval. During 2003, the envelope of the distribution shifts to lower latitudes and a second peak in the distribution is observed at 61°. The solar wind‐magnetosphere coupling function derived by Milan et al. (2012) suggests that the solar wind driving during this year was significantly higher than during the rest of the 17 year interval. In contrast, during the period 2008–2011, HMB distribution shifts to higher latitudes, and a second peak in the distribution is again observed, this time at 68° magnetic latitude. This time interval corresponds to a period of extremely low solar wind driving during the recent extreme solar minimum. This is the first long‐term study of the polar cap area and the results demonstrate that there is a close relationship between the solar activity cycle and the area of the polar cap on a large‐scale, statistical basis.
A new material for the icy Galilean moons: The structure of sulfuric acid hexahydrate
Authors: Maynard‐Casely H. E. , Wallwork K. S. , Avdeev M. 
Published: August 2013

AbstractThis study presents a newly identified water‐rich crystalline form of sulfuric acid hydrate, H2SO4•6H2O, a hexahydrate. The method of formation of this material suggests that sulfuric acid hexahydrate (SAHx) could be an abundant material on the surface of Jupiter's Galilean ice moons, Europa, Ganymede, and Callisto. The structure of SAHx was determined by the combined use of synchrotron X‐ray and neutron powder diffraction data. The structural arrangement of SAHx exhibits the same water layer topology that has been determined for sulfuric acid octahydrate (SAO), but differs in the stacking of this water layer and the interlayer species. SAHx is observed to form over a large range of solution compositions and displays stability over the temperature range 80 to 190 K.
An ex‐tropical cyclone climatology for Auckland, New Zealand
Authors: Lorrey Andrew M. , Griffiths Georgina , Fauchereau Nicolas , Diamond Howard J. , Chappell Petra R. , Renwick James 
Published: August 2013

ABSTRACTAuckland, New Zealand, is influenced by ex‐tropical cyclones (ETCs); however, there is no established climatology for these weather systems at present. In this study, we present a climatology of ETCs for Auckland and investigate whether their spatio‐temporal traits are influenced by large‐scale climate modes such as the El Niño‐Southern Oscillation (ENSO) and the Southern Annular Mode (SAM). We utilize the South Pacific Enhanced Archive for Tropical Cyclone research (SPEArTC) to establish a climatology that covers the high‐quality TC data period from 1970 to 2010. ETCs have entered a region within 550 km of Auckland city regardless of ENSO or SAM phase, and on average one event per year occurs. Peak ETC season for Auckland is during March, preceded by an increase in activity during February, with a wide‐range of meteorological impacts. Regional circulation patterns, including reduced blocking in the southwest Pacific and synoptic type presence, allow ETCs into the Auckland sector of the southwest Pacific while guiding them either to the east or west of the city.
Three‐dimensional numerical solution for wear prediction using a mortar contact algorithm
Authors: Cavalieri F. J. , Cardona A. 
Published: August 2013

SUMMARYA finite element formulation to compute the wear between three‐dimensional flexible bodies that are in contact with each other is presented. The contact pressure and the bodies displacements are calculated using an augmented Lagrangian approach in combination with a mortar method, which defines the contact kinematics. The objective of this study is to characterize the wear rate coefficients for bimetallic pairs and to numerically predict the wear depths in new component designs. The proposed method is first validated with the classical pin‐on‐disc problem. Then, experimental results of wear for the metallic pairs used in internal combustion engine valves and inserts are presented and are taken as a reference solution. An example is provided that shows agreement of the numerical and experimental solution. Finally, the proposed algorithm is used to predict the wear in an application example: the wear in an internal combustion engine valve. Copyright © 2013 John Wiley & Sons, Ltd.