bluuebunny/crossref_metadata_2025_split huggingface dataset:
Elemental F2 with Transannular Dienes: Regioselectivities and Mechanisms
Authors: Ponomarenko Maxim V. , Serguchev Yuriy A. , Hirschberg Markus E. , Röschenthaler Gerd‐Volker , Fokin Andrey A. 
Published: July 2014

AbstractThree reaction paths, namely, molecule‐induced homolytic, free radical, and electrophilic, were modeled computationally at the MP2 level of ab initio theory and studied experimentally for the reaction of F2 with the terminal dienes of bicyclo[3.3.1]nonane series. The addition of fluorine is accompanied by transannular cyclization to the adamantane derivatives in which strong evidence for the electrophilic mechanism both in nucleophilic (acetonitrile) and non‐nucleophilic (CFCl3, CHCl3) solvents were found. The presence of KF in CFCl3 and CHCl3 facilitates the addition and substantially reduces the formation of tar products.
2‐Acylpyrroles as Mono‐anionic O,N‐Chelating Ligands in Silicon Coordination Chemistry
Authors: Kämpfe Alexander , Brendler Erica , Kroke Edwin , Wagler Jörg 
Published: July 2014

AbstractKryptopyrrole (2,4‐dimethyl‐3‐ethylpyrrole) was acylated with, for example, benzoyl chloride to afford 2‐benzoyl‐3,5‐dimethyl‐4‐ethylpyrrole (L1H). With SiCl4 this ligand reacts under liberation of HCl and formation of the complex L12SiCl2. In related reactions with HSiCl3 or H2SiCl2, the same chlorosilicon complex is formed under liberation of HCl and H2 or liberation of H2, respectively. The chlorine atoms of L12SiCl2 can be replaced by fluoride and triflate using ZnF2 and Me3Si‐OTf, respectively. The use of a supporting base (triethylamine) is required for the complexation of phenyltrichlorosilane and diphenyldichlorosilane. The complexes L12SiCl2, L12SiF2, L12Si(OTf)2, L12SiPhCl, and L12SiPh2 exhibit various configurations of the octahedral silicon coordination spheres (i.e. cis or trans configuration of the monodentate substituents, different orientations of the bidentate chelating ligands relative to each other). Furthermore, cationic silicon complexes L13Si+ and L12SiPh+ were synthesized by chloride abstraction with GaCl3. In contrast, reaction of L12SiCl2 with a third equivalent of L1H in the presence of excess triethylamine produced a charge‐neutral hexacoordinate Si complex with a new tetradentate chelating ligand which formed by Si‐templated CC coupling of two ligands L1.
Cyclometalated Mono‐ and Dinuclear IrIII Complexes with “Click”‐Derived Triazoles and Mesoionic Carbenes
Authors: Maity Ramananda , Hohloch Stephan , Su Cheng‐Yong , van der Meer Margarethe , Sarkar Biprajit 
Published: July 2014

AbstractOrthometalation at IrIII centers is usually facile, and such orthometalated complexes often display intriguing electronic and catalytic properties. By using a central phenyl ring as CH activation sites, we present here mono‐ and dinuclear IrIII complexes with “click”‐derived 1,2,3‐triazole and 1,2,3‐triazol‐5‐ylidene ligands, in which the wingtip phenyl groups in the aforementioned ligands are additionally orthometalated and bind as carbanionic donors to the IrIII centers. Structural characterization of the complexes reveal a piano stool‐type of coordination around the metal centers with the “click”‐derived ligands bound either with C^N or C^C donor sets to the IrIII centers. Furthermore, whereas bond localization is observed within the 1,2,3‐triazole ligands, a more delocalized situation is found in their 1,2,3‐triazol‐5‐ylidene counterparts. All complexes were subjected to catalytic tests for the transfer hydrogenation of benzaldehyde and acetophenone. The dinuclear complexes turned out to be more active than their mononuclear counterparts. We present here the first examples of stable, isomer‐pure, dinuclear cyclometalated IrIII complexes with poly‐mesoionic‐carbene ligands.
Reactions of Diaryldibromodisilenes with N‐Heterocyclic Carbenes: Formation of Formal Bis‐NHC Adducts of Silyliumylidene Cations
Authors: Agou Tomohiro , Hayakawa Naoki , Sasamori Takahiro , Matsuo Tsukasa , Hashizume Daisuke , Tokitoh Norihiro 
Published: July 2014

AbstractReactions of stable 1,2‐dibromodisilenes ((E)‐Ar(Br)SiSi(Br)Ar) with N‐heterocyclic carbenes (NHC) afforded NHC–arylbromosilylene adducts or bromide salts of the corresponding bis‐NHC adducts of the formal arylsilyliumylidene cations ([ArSi:]+). In some cases, an NHC was able to replace a bromide anion in the coordination sphere of the arylbromosilylene–NHC adduct.
Redox Divergent Synthesis of Fawcettimine‐Type Lycopodium Alkaloids
Authors: Zaimoku Hisaaki , Taniguchi Tsuyoshi 
Published: July 2014

AbstractA new approach for synthesis of fawcettimine‐type Lycopodium alkaloids is described. A divergent strategy was achieved by applying stereoselective Diels–Alder reaction followed by redox‐controlled elaboration. Eventually, (−)‐8‐deoxyserratinine, (+)‐fawcettimine, (−)‐lycopoclavamine‐A, (−)‐serratine, (−)‐lycopoclavamine‐B and (−)‐serratanidine were successfully accessed.
Enantioselective Construction of Quaternary Stereogenic Carbon Atoms by the Lewis Base Catalyzed Additions of Silyl Ketene Imines to Aldehydes
Authors: Denmark Scott E. , Wilson Tyler W. , Burk Matthew T. 
Published: July 2014

AbstractSilyl ketene imines derived from a variety of α‐branched nitriles have been developed as highly useful reagents for the construction of quaternary stereogenic centers via the aldol addition reaction. In the presence of SiCl4 and the catalytic action of a chiral phosphoramide, silyl ketene imines undergo extremely rapid and high yielding addition to a wide variety of aromatic aldehydes with excellent diastereo‐ and enantioselectivity. Of particular note are the high yields and selectivities obtained from electron‐rich, electron‐poor, and hindered aldehydes. Linear aliphatic aldehydes did react with good diastereo‐ and enantioselectivity in the presence of nBu4N+I−, but branched aldehydes were much less reactive. Semiempirical calculations provided a rationalization of the observed diastereo‐ and enantioselectivity via open transitions states.
Two Pentasilahousanes Fused Together
Authors: Tsurusaki Akihiro , Koganezono Makoto , Otsuka Kyohei , Ishida Shintaro , Kyushin Soichiro 
Published: July 2014

AbstractThe organosilicon cluster 1 with two pentasilahousanes fused together was synthesized by the reduction of 1,1,3‐trichlorocyclotetrasilane. This reaction involves dimerization and rearrangement of the silicon skeleton. The structure and properties of 1 were studied by X‐ray crystallographic and spectroscopic analyses.
Effect of Residual Endosulfan on Pseudomonas aeruginosa NCIM 2036
Authors: Patil Savita B. , Niljikar Sneha C. , Ghosh Jai S. 
Published: July 2014

AbstractEndosulfan has been banned in several developed nations; it is still the farmers’ favorite in many developing nations. The farmers use this pesticide indiscriminately resulting in high residues in soil. The objective of this investigation is not to reestablish the findings of other researchers regarding the residual endosulfan quantity in different agricultural soils of this country; neither is it aimed to find out the biodegradative mechanism of the compound by microorganisms. The investigation aims at studying the biomagnification carried out by a heterotrophic soil organism: Pseudomonas aeruginosa NCIM 2036. The pesticide has been found inside the microorganism resulting in longer lag phase of growth of the organisms which ultimately has deleterious effect on mineral cycling in soil, affecting crop yield.
Bioequivalence study with lapatinib powder for oral suspension and the original tablet formulation in cancer patients
Authors: Koch Kevin M. , Ferron‐Brady Geraldine , Lemmon Colleen , Cartee Leanne , Hollyfield Hedy , D'Amelio Anthony M. , Piepszak Alexandra , Swaby Ramona F. , Curran David , Arya Niki 
Published: July 2014

AbstractLapatinib is approved for use in various therapeutic combinations for treating metastatic breast cancers that over‐express HER2. To deliver the approved doses, up to six large tablets need to be ingested with the current 250‐mg tablets. For ease of ingestion, a powder for oral suspension was developed. This study was an open‐label, randomized, adaptive design, two‐period crossover bioequivalence study of the powder for suspension relative to the commercial tablet at steady state following once daily dosing for 7 days in patients with advanced cancer. To minimize the number of cancer patients required for a pivotal bioequivalence study (144 in this case), a four‐stage adaptive group sequential design with interim analyses after every 36 subjects was implemented to allow for early termination. Bioequivalence for the oral suspension relative to the commercial tablet was demonstrated in both the first (and only) interim analysis and the final analysis, as the 90% confidence intervals for the treatment comparison ratios for both AUC0–24 and Cmax were contained within the acceptance criteria (0.80, 1.25). Additionally, there was no statistical difference in tlag or tmax, suggesting no difference in the absorption rate between treatments. There were no unexpected safety findings during this study.
Effects of ketoconazole on the pharmacokinetics of lenvatinib (E7080) in healthy participants
Authors: Shumaker Robert , Aluri Jagadeesh , Fan Jean , Martinez Gresel , Thompson Gary A. , Ren Min 
Published: July 2014

AbstractBackgroundLenvatinib is an oral, multitargeted, tyrosine kinase inhibitor under clinical investigation in solid tumors. In vitro evidence indicates that lenvatinib metabolism may be modulated by ketoconazole, an inhibitor of CYP3A4 and p‐glycoprotein.MethodsIn this Phase I, single‐center, randomized, open‐label, two‐period, crossover study, healthy adults (18–55 years; N = 18) were randomized to one of two sequences (ketoconazole → placebo or vice versa). Ketoconazole (400 mg) or placebo was administered orally once daily for 18 days; a 5 mg dose of lenvatinib was orally administered on Day 5 of each treatment period. Blood samples were collected over 14 days and lenvatinib plasma concentrations measured by high‐performance liquid chromatography/tandem mass spectrometry.ResultsSystemic exposure to lenvatinib increased slightly (15–19%) with coadministration of ketoconazole. Although the 90% confidence interval (CI) for area under the plasma concentration–time curve (AUC) was within the prespecified bioequivalence interval of 80–125%, Cmax slightly exceeded the 125% CI bound (134%). No changes in tmax, tlag, or t½ were observed. Thirteen subjects (72%) experienced treatment‐emergent adverse events (11 mild, 2 moderate), most commonly headache (22%) and diarrhea (17%).ConclusionsLenvatinib exposure was slightly increased by ketoconazole; however, the magnitude of the change was relatively small, and likely not clinically meaningful.
Design space exploration of SW beamformer on GPU
Authors: Phuong Thi Yen , Lee Jeong‐Gun 
Published: July 2014

SummaryUltrasound imaging has become one of the most widely used modalities in medical diagnosis today. However, real‐time ultrasound imaging requires large amount of data transfer and massive computation and therefore mainly relies on a complex dedicated hardware system. A recent trend of a graphics processing unit (GPU) based software‐based approach offers the advantages of flexibility and quick implementation. The GPUs have been reported as excellent accelerators across a wide range of applications. For best exploiting outstanding computational power and high memory bandwidth of a GPU, the paper explores the design space of implementing an ultrasound beamformer on a GPU platform. The design spaces are expanded by applying different optimization strategies to the beamformer on a GPU platform, and we also discuss the performance evaluation results on the various GPUs whose architectural characteristics are different to each others. The performance analysis shows that by optimizing CUDA code, our real‐time‐GPU‐based beamformer can be successfully implemented with 181 frames per second (fps) and speedup of 230.6X compared with the single‐threaded implementation on a high‐performance CPU platform. Copyright © 2014 John Wiley & Sons, Ltd.
Modelling the relationship between catchment attributes and wetland water quality in Japan
Authors: Haidary Azam , Jabbarian Amiri Bahman , Adamowski Jan , Fohrer Nicola , Nakane Kaneyuki 
Published: July 2014

AbstractThe influence of catchment attributes has been examined to find out whether variations in water quality indicators [electrical conductivity (EC), pH, turbidity, dissolved oxygen (DO), total dissolved solid (TDS), total nitrogen (TN), dissolved organic nitrogen (DON), dissolved inorganic nitrogen (DIN), temperature and nitrogen] could be explained by them for 24 wetlands in west Japan. Urban areas (%) were positively (P ≤ 0.05) correlated with EC (r = 0.67), TDS (r = 0.69), TN (r = 0.92), DON (r = 0.60), [NH4+] (r = 0.47) and with [NO2−] (r = 0.50). Forest areas (%) were inversely (P ≤ 0.05) correlated with EC (r = −0.62), TDS (r = −0.68), TN (r = −0.68) and [NH4+] (r = −0.55) and with DON (r = −0.43). Agricultural area (%) was positively (P ≤ 0.05) correlated with EC (r = 0.40), TDS (r = 0.45), TN (r = 0.44) and [NH4+] (r = 0.56) and with both areas (%) of grey lowland soil (r = 0.60) and diluvial sand (r = 0.58). Area (%) of regosol was positively correlated with DO (r = 0.42) but inversely with DON (r = −0.44, P ≤ 0.05). Rhyolite was positively (P ≤ 0.05) correlated with the TN (r = 0.46) but inversely with DON (r = −0.49) and [NH4+] (r = −0.47). Regression models were developed for the water quality indicators including EC (r2 = 0. 62), (r2 = 0.90), (r = 0.52), TN (r = 0.86), DIN (r2 = 0.74) and DON (r2 = 0.54) at 0.01 ≤ P ≤ 0.05. In the models, no significant contribution has been observed for catchment geometric features of the wetlands on water quality indicators. Copyright © 2014 John Wiley & Sons, Ltd.
Indium‐Catalyzed Hydroamination/Hydrosilylation of Terminal Alkynes and Aromatic Amines through a One‐Pot, Two‐Step Protocol
Authors: Sakai Norio , Takahashi Nobuaki , Ogiwara Yohei 
Published: July 2014

AbstractWe demonstrated that indium tribromide effectively functioned as a single catalyst for two successive steps in a one‐pot procedure. First, the hydroamination of alkynes with anilines took place to give the Markovnikov product. Then, hydrosilylation of the imine intermediates by treatment with a hydrosilane substrate afforded the corresponding secondary amines.
Centrifuge modeling of rocking‐isolated inelastic RC bridge piers
Authors: Loli Marianna , Knappett Jonathan A. , Brown Michael J. , Anastasopoulos Ioannis , Gazetas George 
Published: July 2014

SUMMARYExperimental proof is provided of an unconventional seismic design concept, which is based on deliberately underdesigning shallow foundations to promote intense rocking oscillations and thereby to dramatically improve the seismic resilience of structures. Termed rocking isolation, this new seismic design philosophy is investigated through a series of dynamic centrifuge experiments on properly scaled models of a modern reinforced concrete (RC) bridge pier. The experimental method reproduces the nonlinear and inelastic response of both the soil‐footing interface and the structure. To this end, a novel scale model RC (1:50 scale) that simulates reasonably well the elastic response and the failure of prototype RC elements is utilized, along with realistic representation of the soil behavior in a geotechnical centrifuge. A variety of seismic ground motions are considered as excitations. They result in consistent demonstrably beneficial performance of the rocking‐isolated pier in comparison with the one designed conventionally. Seismic demand is reduced in terms of both inertial load and deck drift. Furthermore, foundation uplifting has a self‐centering potential, whereas soil yielding is shown to provide a particularly effective energy dissipation mechanism, exhibiting significant resistance to cumulative damage. Thanks to such mechanisms, the rocking pier survived, with no signs of structural distress, a deleterious sequence of seismic motions that caused collapse of the conventionally designed pier. © 2014 The Authors Earthquake Engineering & Structural Dynamics Published by John Wiley & Sons Ltd.
The effect of temperature on the sensitivity of Daphnia magna to cyanobacteria is genus dependent
Authors: Hochmuth Jennifer D. , De Schamphelaere Karel A.C. 
Published: July 2014

Abstract

In the present study, the authors investigated the effects of 6 different genera of cyanobacteria on multiple endpoints of Daphnia magna in a 21-d life table experiment conducted at 3 different temperatures (15 °C, 19 °C, and 23 °C). The specific aims were to test if the effect of temperature on Daphnia's sensitivity to cyanobacteria differed among different cyanobacteria and if the rank order from most to least harmful cyanobacteria to Daphnia reproduction changed or remained the same across the studied temperature range. Overall, the authors observed a decrease in harmful effects on reproduction with increasing temperature for Microcystis, Nodularia, and Aphanizomenon, and an increase in harmful effects with increasing temperature for Anabaena and Oscillatoria. No effect of temperature was observed on Daphnia sensitivity to Cylindrospermopsis. Harmful effects of Microcystis and Nodularia on reproduction appear to be mirrored by a decrease in length. On the other hand, harmful effects of Anabaena, Aphanizomenon, and Oscillatoria on reproduction were correlated with a decrease in intrinsic rate of natural increase, which was matched by a later onset of reproduction in exposures to Oscillatoria. In addition, the results suggest that the cyanobacteria rank order of harmfulness may change with temperature. Higher temperatures may increase the sensitivity of D. magna to the presence of some cyanobacteria (Anabaena and Oscillatoria) in their diet, whereas the harmful effects of others (Microcystis, Nodularia, and Aphanizomenon) may be reduced by higher temperatures. Environ Toxicol Chem 2014;33:2333–2343. © 2014 SETAC
Stock Market Simulation Using Support Vector Machines
Authors: Rosillo Rafael , Giner Javier , De la Fuente David 
Published: July 2014

ABSTRACTThe aim of this research was to analyse the different results that can be achieved using support vector machines (SVM) to forecast the weekly change movement of different simulated markets. The markets are developed by a GARCH model based on the S&P 500. These simulated markets are grouped by a main parameter: high volatility, bearish trend, bullish trend and low volatility. The inputs retained of the SVM are traditional technical trading rules used in quantitative analysis, such as relative strength index (RSI) and moving average convergence divergence (MACD) decision rules. The outputs of the SVM are the degree of set membership and market movement (bullish or bearish). The design of the SVM algorithm has been developed by Matlab and SVM‐KM. The configuration for the SVM shows that the best results are achieved in simulated markets with high volatility; also results are good in trend simulated markets. Copyright © 2014 John Wiley & Sons, Ltd.
Does Mood Explain the Monday Effect?
Authors: Abu Bakar Azizah , Siganos Antonios , Vagenas‐Nanos Evangelos 
Published: July 2014

ABSTRACTA number of studies have explored the sources of the Monday effect, according to which returns are on average negative on Mondays. We contribute to the literature by exploring whether a direct measure of mood explains the Monday effect. In line with psychological literature, a greater proportion of investors are more pessimistic in the early days of the week, and become more optimistic as the week progresses. We use novel daily mood data from Facebook across 20 international markets to explore the impact of mood on the Monday anomaly. We find that the Monday effect disappears after controlling for mood. In line with our hypothesis that mood drives the Monday effect, we find that the effect is more prominent within small capitalization indices and within collectivist and high‐uncertainty‐avoidance countries. Investors could consider mood levels to forecast Mondays with more (less) pronounced negative returns. Copyright © 2014 John Wiley & Sons, Ltd.
Finite element analysis of tires in rolling contact
Authors: Nackenhorst Udo 
Published: July 2014

AbstractIn this publication an overview on sophisticated modeling approaches for the finite element computation of rolling tires based on an Arbitrary Lagrangian Eulerian (ALE) formulation of the kinematic will be outlined. After a brief introduction into the ALE‐concepts special attention is laid onto the treatment of the tangential contact formulation. As the path‐lines of the material points are not computed directly within the relative kinematics framework, techniques for the treatment of inelastic material properties and the coupled thermo‐mechanical analysis with emphasis to rolling loss analysis will be given. Furthermore a modal superposition approach is suggested for the analysis of the high frequency response of rolling tires excited from the surface roughness of the road. Finally a mesoscopic modeling approach for the transient dynamic analysis of the tread rubber with the rough roads surface is presented. In summary these techniques enable for a broad bandwidth of tire specific behavior in rolling contact. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Interventions for older persons reporting memory difficulties: a randomized controlled pilot study
Authors: Cohen‐Mansfield Jiska , Cohen Rinat , Buettner Linda , Eyal Nitza , Jakobovits Hanna , Rebok George , Rotenberg‐Shpigelman Shlomit , Sternberg Shelley 
Published: July 2014

ObjectiveThe objective of this study is to compare three different interventions for persons who report memory difficulties: health promotion, cognitive training, and a participation‐centered course, using a single‐blind, randomized controlled design.MethodsParticipants were 44 Israeli adults with memory complaints, aged 65 years or older. The main outcome variable was the Global Cognitive Score assessed using the MindStreams® mild cognitive impairment assessment, a computerized cognitive assessment. The Mini‐Mental State Examination and the self‐report of memory difficulties were also utilized. To assess well‐being, the UCLA Loneliness Scale‐8 was used. Health was evaluated by self‐report instruments.ResultsAll three interventions resulted in significant improvement in cognitive function as measured by the computerized cognitive assessment. All approaches seemed to decrease loneliness. The only variable which showed a significant difference among the groups is the self‐report of memory difficulties, in which the cognitive training group participants reported greater improvement than the other groups.ConclusionMultiple approaches should be offered to older persons with memory complaints. The availability of diverse options would help fit the needs of a heterogeneous population. An educational media effort to promote the public's understanding of the efficacy of these multiple approaches is needed. Copyright © 2014 John Wiley & Sons, Ltd.