bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Theoretically‐Guided Optimization of a New Family of Modular P,S‐Ligands for Iridium‐Catalyzed Hydrogenation of Minimally Functionalized Olefins
Authors: Margalef Jèssica , Caldentey Xisco , Karlsson Erik A. , Coll Mercè , Mazuela Javier , Pàmies Oscar , Diéguez Montserrat , Pericàs Miquel A. 
Published: August 2014

AbstractA library of modular iridium complexes derived from thioether‐phosphite/phosphinite ligands has been evaluated in the asymmetric iridium‐catalyzed hydrogenation of minimally functionalized olefins. The modular ligand design has been shown to be crucial in finding highly selective catalysts for each substrate. A DFT study of the transition state responsible for the enantiocontrol in the Ir‐catalyzed hydrogenation is also described and used for further optimization of the crucial stereodefining moieties. Excellent enantioselectivities (enantiomeric excess (ee) values up to 99 %) have been obtained for a range of substrates, including E‐ and Z‐trisubstituted and disubstituted olefins, α,β‐unsaturated enones, tri‐ and disubstituted alkenylboronic esters, and olefins with trifluoromethyl substituents.
Palladium‐Catalyzed Imidoylative Cyclization of α‐Isocyanoacetamides: Efficient Access to C2‐Diversified Oxazoles
Authors: Wang Jian , Luo Shuang , Huang Jinbo , Mao Tingting , Zhu Qiang 
Published: August 2014

AbstractA novel procedure for the synthesis of C2‐diversified oxazoles, through palladium‐catalyzed imidoylative cyclization of α‐isocyanoacetamides with aryl, vinyl, alkynyl halides, or triflates, was developed. Migratory insertion of isocyanide into a C‐palladium(II) intermediate in a cascade process was also realized, generating alkyl‐substituted oxazoles. Therefore, oxazoles functionalized at the C2 position with sp, sp2, and sp3 hybridized carbon atoms are accessible by applying this method.
Umwandlung und Speicherung von Sonnenenergie
Authors: Haeßner Carmen , Köhler Klaus , Wussow Katharina 
Published: August 2014

AbstractDie vermehrte Nutzung von Sonnenlicht als erneuerbare Energiequelle wird zunehmend als wichtiges Ziel für die Zukunft anerkannt. Die potenziellen Methoden zur Umwandlung und Speicherung befinden sich in unterschiedlichen Entwicklungsstadien. Der Artikel gibt einen Überblick über die verschiedenen Ansätze. Schwerpunkt ist dabei die Umwandlung und Speicherung des Sonnenlichts als chemische Energie durch photokatalytische Prozesse. Vorbild und Realität ist die Photosynthese grüner Pflanzen. Ebenfalls Realität ist die energetische Nutzung der gebildeten Biomasse mit zunehmender Tendenz, aber nicht ohne klare Limitierungen. Photobioreaktoren (Algen, Bakterien) zeigen interessante Alternativen auf. Forschungsinteresse und Anstrengungen bei der künstlichen Photosynthese zur photokatalytischen Wasserspaltung und der photochemischen Umwandlung von Kohlendioxid sind enorm. Dennoch lassen Wirkungsgrade und ökonomische Berechnungen großtechnische Anwendungen erst in fernerer Zukunft erwarten. Kurz wird auch auf die direkte Umwandlung von Sonnenenergie in elektrische und in thermische Energie eingegangen. Die Silizium‐basierte Photovoltaik hat industrielle Reife erlangt und für jeden sichtbar breite Anwendung im Alltag gefunden. Solarthermie‐Anlagen für die sonnenreichsten Regionen befinden sich in der Entwicklungs‐ und Überführungsphase.
Syntheses and Solid‐State Structures of Et2SbTeEt and Et2BiTeEt
Authors: Heimann Stefan , Kuczkowski Andreas , Bläser Dieter , Wölper Christoph , Haack Rebekka , Jansen Georg , Schulz Stephan 
Published: August 2014

AbstractDiethylstibanyl‐ and diethylbismuthanyl telluranes Et2MTeEt (M = Sb 1, Bi 2) as well as tBu3Sb (3) were structurally characterized by single‐crystal X‐ray diffraction. Single crystals of 1–3 were grown by using an IR‐laser‐assisted technique. Compounds 1 and 2 form short intermolecular E···Te interactions in the solid state, which were further investigated with dispersion‐corrected density functional theory.
Paradox of omega‐3 PUFA oxidation
Authors: Miyashita Kazuo 
Published: August 2014

The oxidative stability of polyunsaturated fatty acids (PUFAs) in micelles and in liposomes is dramatically different from that observed in the bulk phase and in organic solvents. In aqueous micelles, docosahexaenoic acid (DHA, 22:6n‐3) is oxidatively most stable followed by EPA (20:5n‐3), arachidonic acid (AA, 20:4n‐6), α‐linolenic acid (18:3n‐3), γ‐linolenic acid (18:3n‐6), and linoleic acid (LA, 18:2n‐6), respectively. In phosphatidylcholine (PC) liposomes, DHA‐PC showed the highest oxidative stability followed by AA‐PC and LA‐PC in that order. This order was completely opposite to that found in bulk and in organic solvent systems. NMR and GC‐MS analysis and a computer modelling approach to hydroperoxide isomer composition suggest that the physical and stereochemical characteristics of DHA molecules in the aqueous phase are related to its unusually high oxidative stability. The possible mechanisms are a tight packing conformation of DHA molecules and the presence of water molecule near the double bonds of DHA, which may inhibit hydrogen abstraction from the bis‐allylic positions of DHA.Effect of the relative location of the substrates and antioxidants and/or prooxidants on the lipid oxidation.
Evaluation of pyrolysis parameters for fiberglass reinforced polymer composites based on multi‐objective optimization
Authors: Kim E. , Dembsey N. 
Published: August 2014

SummaryThis study was conducted to investigate the ability of global, multi‐objective/variable optimization methods to estimate material parameters for comprehensive pyrolysis models—thermo‐physical and optical properties of two fiberglass reinforced polymer (FRP) composites that share the same fiberglass. With these optimization methods used in pair with a comprehensive pyrolysis model, parameter estimation was carefully conducted with considerations given to applying appropriate thermal decomposition kinetic models (three different models from simple to complex) and optimization targets (cone calorimeter data irradiated at 50 kW/m2). Estimation results are compared with independently measured effective properties—thermal conductivity, specific heat capacity, and emissivity of polymer resins and FRPs. Additionally, fiberglass properties estimated from the two FRPs are compared to analyze for consistency in optimized values. The results show that for a well‐configured parameter estimation exercise using the optimization method described earlier, (1) estimated results are within ±100% of the measurements in general and sometimes comparable to effective property values, (2) increasing complexity of the kinetic modeling for a single component system has insignificant effect on estimated values, and (3) increasing complexity of the kinetic modeling for a multiple component system with each element having different thermal characteristics has positive effect on estimated values. Copyright © 2014 John Wiley & Sons, Ltd.
Experimental and theoretical confirmation of the scaling exponent 2 in pyramidal load displacement data for depth sensing indentation
Authors: Merle Benoit , Maier Verena , Durst Karsten 
Published: August 2014

SummaryA series of articles by Kaupp et al. have recently been published in “Scanning,” containing erroneous claims about the curvature of pyramidal nanoindentation loading curves. The present paper recalls the theoretical reasons why, for self‐similar indenter shapes like pyramidal or conical indentations, the load scales with the indentation depth squared. Furthermore, experimental evidence for that behavior is provided for a wide variety of materials, ranging from ceramics to metals and polymers. SCANNING 36:526–529, 2014. © 2014 Wiley Periodicals, Inc.
Gurtdickensprünge geschweißter Biegeträger – Bemessungsbehelf für die komplexen lokalen Zusatzbeanspruchungen
Authors: Unterweger Harald , Taras Andreas , Puig Manuel Gonzales 
Published: August 2014

AbstractAn Gurtdickensprüngen von geschweißten Biegeträgern kommt es zu lokalen Zusatzbeanspruchungen infolge des Ausgleiches der unterschiedlichen Gurtnormalkräfte und der häufig auftretenden Exzentrizität der Schwerlinien der Gurtbleche. Dies sind einerseits lokale zusätzliche Normalspannungen an den Gurten selbst, insbesondere bei zusätzlichen Exzentrizitäten an den unterschiedlich dicken Gurten. In letzterem Fall liegen auch hohe lokale Normalspannungsbeanspruchungen senkrecht zur Gurtlängsrichtung am anschließenden Steg vor. Darüber hinaus führen die unterschiedlichen Gurtnormalkräfte zu lokalen Schubspannungen im anschließenden Stegbereich.Für alle drei erwähnten Zusatzbeanspruchungen erfolgten umfangreiche realitätsnahe numerische Berechnungen an Finite‐Elemente‐Modellen (FEM) für den baupraktischen Anwendungsbereich, die zu einem Bemessungsbehelf für die Praxis führten. Dieser Bemessungsbehelf sowie dessen Grundlagen und seine Anwendungen werden dargestellt. Einleitend wird das typische Tragverhalten an Gurtdickensprüngen kurz zusammengefasst.Flange thickness transitions in welded girders – design recommendation for the complex additional local stress state. Additional local stresses are present at flange thickness transitions of welded girders, caused by the necessary equalization of the different total flange forces, as well as by the – often present – eccentricity between the smaller and larger flange plates. On one hand, these additional stresses are present in the flange plates themselves, especially in the case of eccentric configurations. In this case, local bending in longitudinal direction also causes secondary bending in transversal direction of the flange plates, leading to high normal stresses in vertical direction in the attached web plate. On the other hand, the equalization of the flange forces leads to high local shear stresses in the web and fillet welds between web and flange plates.In the study presented in this paper, extensive numerical calculations (using the finite element method), within the practically relevant geometric parameter range, were carried out in order to quantify the mentioned stress effects. These results were used as the basis for the development of a design recommendation for use in practice. After a brief discussion of the general load‐carrying behaviour at thickness transitions, this paper explains the use and background of the recommendation.
Being up front: narrative context and aspectual choice
Authors: FEDDER JOSHUA C. , WAGNER LAURA 
Published: August 2014

abstractReaders actively construct representational models of meaning when reading text, and they do so by drawing on a range of kinds of information, from the specific linguistic forms of the sentences to knowledge about how the world works (Ferretti, Kutas, & McRae, 2007; Madden & Zwaan, 2003). The present set of studies focused on how grammatical aspect is integrated into a situation model and how it is connected to other dimensions of model construction. In three experiments, participants were asked to complete sentences with a choice of grammatical aspect form (perfective or imperfective). The test sentences systematically varied four dimensions of the sentence that were linked to grammatical aspect in different ways: telicity and transitivity (both linked through their semantic representations), subject animacy (linked through an inference over semantic representations), and related location information (linked through an inference grounded in world knowledge). In addition, to examine the influence of discourse function (backgrounding vs. foregrounding) on aspectual choice different construction types were varied across experiments – specifically a fronted locative construction and the presence of a generic narrative opener (Once upon a time). The results found that aspectual choice depends on information linked to the semantic representation of grammatical aspect; however, in contrast to previous work (e.g., Ferreti et al., 2007) information grounded in world knowledge (location information) did not influence aspectual choice except when it was integrated in a specialized discourse construction.
The Lowest Metallicity Stars in the LMC: Clues from MaGICC Simulations
Authors: Brook Chris B. , Miranda Maider S. , Gibson Brad. K. , Pilkington Kate , Stinson Greg S. 
Published: August 2014

AbstractUsing a cosmological hydrodynamical simulation of a galaxy of similar mass to the Large Magellanic Cloud (LMC), we examine the predicted characteristics of its lowest metallicity populations. In particular, we emphasise the spatial distributions of first (Pop III) and second (polluted by only immediate Pop III ancestors) generation stars. We find that primordial composition stars form not only in the central galaxy’s progenitor, but also in locally collapsed subhaloes during the early phases of galaxy formation. The lowest metallicity stars in these subhaloes end up in a relatively extended distribution around the host, with these accreted stars possessing present-day galactocentric distances as great as ~40 kpc. By contrast, the earliest stars formed within the central galaxy remain in the inner region, where the vast majority of star formation occurs, for the entirety of the simulation. Consequently, the fraction of stars that are from the earliest generation increases strongly with radius.
Factors predicting the effectiveness of palliative care in patients with advanced cancer
Authors: Chaiviboontham Suchira 
Published: August 2014

AbstractObjective:The purpose of this study was to assess the factors that predict the effectiveness of palliative care in patients with advanced cancer.Method:Cross-sectional data were collected from 240 patients recruited from three tertiary care hospitals in Bangkok and suburban Thailand aged 18 years or older who were willing to participate; able to speak, read, and write Thai; were not receiving aggressive cancer treatment; and had been diagnosed with advanced-stage cancer. Participants were asked to complete a Personal Information Questionnaire (PIQ), a Palliative Care Assessment Form (PCAF), and the Spiritual Well-Being Scale (SWBS).Results:The significant predictors of the effectiveness of palliative care in patients with advanced cancer were found to be spiritual well-being (p = 0.000) and palliative care strategies: a combination of pharmacological and psychosocial care, mind–body intervention, and spiritual care; physical management; and traditional medicine, herbal treatment, and diet management (p = 0.027). The likelihood of effectiveness for patients whose spiritual well-being and palliative care strategies scores increased by an average of one point increased by factors of 1.058 and 2.271, respectively.Significance of Results:These findings suggest that patients who experienced better spiritual well-being and who employed a variety of palliative care strategies also experienced enhanced effectiveness of palliative care.
Deformation T-Cup: A new multi-anvil apparatus for controlled strain-rate deformation experiments at pressures above 18 GPa
Authors: Hunt Simon A. , Weidner Donald J. , McCormack Richard J. , Whitaker Matthew L. , Bailey Edward , Li Li , Vaughan Michael T. , Dobson David P. 
Published: August 2014

A new multi-anvil deformation apparatus, based on the widely used 6-8 split-cylinder, geometry, has been developed which is capable of deformation experiments at pressures in excess of 18 GPa at room temperature. In 6-8 (Kawai-type) devices eight cubic anvils are used to compress the sample assembly. In our new apparatus two of the eight cubes which sit along the split-cylinder axis have been replaced by hexagonal cross section anvils. Combining these anvils hexagonal-anvils with secondary differential actuators incorporated into the load frame, for the first time, enables the 6-8 multi-anvil apparatus to be used for controlled strain-rate deformation experiments to high strains. Testing of the design, both with and without synchrotron-X-rays, has demonstrated the Deformation T-Cup (DT-Cup) is capable of deforming 1–2 mm long samples to over 55% strain at high temperatures and pressures. To date the apparatus has been calibrated to, and deformed at, 18.8 GPa and deformation experiments performed in conjunction with synchrotron X-rays at confining pressures up to 10 GPa at 800 °C .
Review of subfamilyDiplazontinae (Hymenoptera:Ichneumonidae) fromSouthKorea with six unrecorded genera and a new species
Authors: Balueva Ekaterina N. , Lee Jong‐Wook 
Published: August 2014

AbstractOf the 16 genera of the subfamilyDiplazontinae occurring in theEasternPalearctic region, 11 genera are recognized fromSouthKorea. Specifically, four genera (Campocraspedon Uchida,Diplazon Nees,Syrphoctonus Förster andWoldstedtius Carlson) are previously recognized fromSouthKorea, whereas the other seven genera are recorded from this country for the first time. A key to the 16 genera ofDiplazontinae occurring in theEasternPalearctic region is provided. Six genera ofKoreanDiplazontinae (Bioblapsis Förster,Campocraspedon Uchida,Eurytyloides Nakanishi,Phthorima Förster,Promethes Förster andSussaba Cameron) are reviewed here. Species of these genera rarely occur in theEasternPalearctic region with small numbers of collected samples (excluding genusSussaba). Here we provide diagnosis for seven species ofDiplazontinae and one new species,Eurytyloides koreanus Balueva andLeesp. nov., has been described.
Radiotherapy in the Barwon South Western Region: A rural perspective
Authors: Henry Margaret J , Jones Phil , Morrissy Kate , Matheson Leigh M , Pitson Graham , Healy Pat , Coory Michael , Lynch Rod , Chapman Adam , Ashley David 
Published: August 2014

AbstractIntroductionCancer‐related mortality rates are higher in rural areas compared with urban regions. Whether there are corresponding geographical variations in radiotherapy utilisation rates (RURs) is the subject of this study.MethodsRURs for the regional centre of Geelong and rural areas of the Barwon South Western Region were calculated using a population‐based database (2009).ResultsLower RURs were observed for rural patients compared with the Geelong region for prostate cancer (15.7% vs 25.8%, P = 0.02), rectal cancer (32.8% vs 44.7%, P = 0.11), lymphoma (9.4% vs 26.2%, P = 0.05), and all cancers overall (25.6% vs 28.9%, P = 0.06). This lower rate was significant in men (rural, 19.9%; Geelong, 28.3%; P = 0.00) but not in women (rural, 33.6%; Geelong, 29.7%; P = 0.88). Time from diagnosis to radiotherapy was not significantly different for patients from the two regions. Tumour staging within the rural and Geelong regions was not significantly different for the major tumour streams of rectal, prostate and lung cancer (P = 0.61, P = 0.79, P = 0.43, respectively). A higher proportion of tumours were unstaged or unstageable in the rural region for lung (44% vs 18%, P < 0.01) and prostate (73% vs 57%, P < 0.01) cancer.ConclusionLower RURs were observed in our rural region. Differences found within tumour streams and in men suggest a complexity of relationships that will require further study.
Aspects of the Macroscopic Testicular and Epididymal Morphology in the Greater Rhea, Rhea Americana (Linneaus – 1758) Birds
Authors: Carvalho S. F. M. , Freneau B. N. , Frerneau G. E. 
Published: August 2014

SummaryThe purpose of this research was to study the macroscopic testicular and epididymal morphology of the greater rhea. The testicles of 54 greater rhea bred in captivity were utilized. The samples were collected November 2005 (n = 14), December 2006 (n = 20) and May 2007 (n = 20). During commercial slaughter, the testicles and epididymides were collected and their following morphometric parameters were immediately measured: length, width, thickness, circumference, volume, weight of the parenchyma and the tunica albuginea, also aspects such as shape, cavity implantation, relationship with other organs and vascularization. The testicles presented cylindrical shape, with a thin, dense and transparent tunica albuginea, and the vascularization was accomplished by the testicular artery that ramifies from the cranial rectal artery. In the samples from December 2006 and May 2007, the media from the macroscopic measures of the right testicles were volume 58.7 and 14.7 ml, length 9.87 and 3.5 cm, width 2.4 and 0.6 cm, thickness 2.4 and 0.5 cm, circumference 8.0 and 2.3 cm, parenchyma weight 27.6 and 6.1 g and tunica albuginea weight 1.0 and 0.3 g, P < 0.05, respectively. The epididymides, the media from macroscopic measures December 2006 and May 2007 were volume 7.7 and 3.0 ml, length 5.8 and 1.3 cm, width 0.7 and 0.3 cm, thickness 0.6 and 0.3 cm, circumference 2.5 and 1.2 cm, tissue weight 6.4 and 2.8 g and capsule weight 0.4 and 0.1 g, P < 0.05, respectively. Some measures from the right testicle and epididymis were superior to measures taken from the left ones (P < 0.05), but these were not characterizing asymmetry. The morphometric parameters observed during November 2005 remained on an intermediate situation (P < 0.05); however, they were quantitatively closer to the means of December 2006, which may characterize it as a potential transition period between repose and sexual activity. Morphologically, the testicles and epididymides of greater rhea have common points with other researched birds; however, differences were observed. The testicles and epididymides of the Rhea americana are influenced by the environment, presenting reproductive activity season (November–December) during late spring, early summer and sexual repose season (May) during autumn–winter. The morphometric testicular and epididymal measurements were introduced. The morphometric parameters of testicles and epididymides exhibited differences between winter and spring–summer that could be established like sexual activity season.
Differential partial activation phenotype and production of tumour necrosis factor-α by conventional dendritic cells in response to lipopolysaccharide in HIV+ viraemic subjects and HIV+ controllers
Authors: Camacho-Sandoval R , Del Río Estrada P M , Rivero-Arrieta A , Reyes-Terán G , Bonifaz L C 
Published: August 2014

SummaryHIV+ subjects are reported to have increased soluble CD14 (sCD14) in plasma, an indicator of microbial translocation. We evaluated if microbial translocation has a differential impact on the activation and function of conventional dendritic cells (cDC) from viraemic HIV+ subjects and HIV+ controllers (CTs). The HIV+ subjects were classified into two groups according to their plasma viral load (pVL): CT and viraemic. Subjects without HIV were included as controls (HIV−). The frequencies and phenotypes of cDC from these subjects were evaluated by multi-parameter flow cytometry. In addition, peripheral blood mononuclear cells (PBMCs) were stimulated with lipopolysaccharide (LPS) or single-stranded RNA40 (ssRNA40), the phenotype of the cDC and the intracellular production of tumour necrosis factor (TNF)-α by the cDC were evaluated by flow cytometry. We observed a partial activation phenotype for the cDC in the viraemic subjects and CTs ex vivo and after LPS activation, which showed differences in the expression of CD40 and CD86. Furthermore, in response to LPS the cDC from the viraemic subjects produced more TNF-α compared to the cDC from CTs. Interestingly, the percentage of TNF-α+cDC was found to be correlated positively with the pVL. The partial activation of cDC and the over-production of TNF-α in response to LPS in viraemic HIV+ subjects might be related to the increased chronic activation observed in these subjects. In contrast, cDC from CTs seem to have a regulated response to LPS, indicating that they respond differently to chronic immune activation. These results may have implications in the development of HIV therapies and vaccines using DC.